USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=20 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 88 SER OG : rot 90:sc= -1.21! USER MOD Set 1.2: A 89 HIS : no HE2:sc= 0.595! C(o=-0.61!,f=-16!) USER MOD Single : A 79 MET CE :methyl 167:sc= 0 (180deg=-0.0174) USER MOD Single : A 80 THR OG1 : rot -170:sc= -0.69! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 157:sc= -0.0373 (180deg=-0.338) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0.614 (180deg=0.403) USER MOD Single : A 102 HIS : no HE2:sc= -0.982 K(o=-0.98,f=-2!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -2.56! X(o=-2.6!,f=-2.2) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-0.51) USER MOD Single : A 117 THR OG1 : rot -9:sc= -0.562 USER MOD Single : A 118 GLN : amide:sc= -15.6! C(o=-16!,f=-13!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -3.69! C(o=-3.7!,f=-13!) USER MOD Single : A 126 ASN : amide:sc= -2.91! C(o=-2.9!,f=-2.7!) USER MOD Single : A 127 TYR OH : rot 165:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -135:sc= 0.182 USER MOD Single : A 142 CYS SG : rot 51:sc= -1.9 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 187 SER OG : rot -94:sc= 0.157 USER MOD Single : A 192 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-2.2!) USER MOD Single : A 193 HIS : no HE2:sc= -1.75! C(o=-1.7!,f=-3.4!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.392 -1.169 -8.229 1.00 1.04 N ATOM 275 CA VAL A 74 20.480 -1.818 -7.437 1.00 0.93 C ATOM 276 C VAL A 74 20.257 -3.332 -7.514 1.00 0.86 C ATOM 277 O VAL A 74 19.147 -3.768 -7.743 1.00 0.89 O ATOM 278 CB VAL A 74 20.370 -1.359 -5.975 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.965 0.043 -5.817 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.897 -1.341 -5.577 1.00 1.38 C ATOM 0 HA VAL A 74 21.464 -1.553 -7.823 1.00 0.93 H new ATOM 0 HB VAL A 74 20.922 -2.046 -5.333 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.882 0.358 -4.777 1.00 1.17 H new ATOM 0 HG12 VAL A 74 22.015 0.028 -6.109 1.00 1.17 H new ATOM 0 HG13 VAL A 74 20.422 0.742 -6.453 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.804 -1.017 -4.541 1.00 1.38 H new ATOM 0 HG22 VAL A 74 18.354 -0.651 -6.223 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.479 -2.342 -5.683 1.00 1.38 H new ATOM 290 N PRO A 75 21.279 -4.135 -7.323 1.00 0.93 N ATOM 291 CA PRO A 75 21.143 -5.618 -7.372 1.00 1.00 C ATOM 292 C PRO A 75 19.785 -6.088 -6.830 1.00 0.88 C ATOM 293 O PRO A 75 19.387 -5.745 -5.734 1.00 0.84 O ATOM 294 CB PRO A 75 22.294 -6.085 -6.485 1.00 1.18 C ATOM 295 CG PRO A 75 23.379 -5.071 -6.714 1.00 1.37 C ATOM 296 CD PRO A 75 22.674 -3.738 -7.051 1.00 1.13 C ATOM 0 HA PRO A 75 21.184 -6.019 -8.385 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.998 -6.120 -5.436 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.624 -7.088 -6.757 1.00 1.18 H new ATOM 0 HG2 PRO A 75 24.004 -4.965 -5.827 1.00 1.37 H new ATOM 0 HG3 PRO A 75 24.033 -5.381 -7.529 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.735 -3.033 -6.222 1.00 1.13 H new ATOM 0 HD3 PRO A 75 23.128 -3.253 -7.916 1.00 1.13 H new ATOM 304 N LEU A 76 19.060 -6.846 -7.608 1.00 0.86 N ATOM 305 CA LEU A 76 17.712 -7.312 -7.164 1.00 0.77 C ATOM 306 C LEU A 76 17.830 -8.151 -5.887 1.00 0.77 C ATOM 307 O LEU A 76 18.122 -9.330 -5.929 1.00 0.85 O ATOM 308 CB LEU A 76 17.072 -8.164 -8.267 1.00 0.84 C ATOM 309 CG LEU A 76 16.828 -7.316 -9.527 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.446 -8.241 -10.690 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.690 -6.304 -9.285 1.00 0.76 C ATOM 0 H LEU A 76 19.343 -7.164 -8.535 1.00 0.86 H new ATOM 0 HA LEU A 76 17.092 -6.439 -6.962 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.721 -9.006 -8.508 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.129 -8.580 -7.913 1.00 0.84 H new ATOM 0 HG LEU A 76 17.739 -6.768 -9.767 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.272 -7.646 -11.586 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.256 -8.947 -10.875 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.539 -8.789 -10.436 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.531 -5.713 -10.187 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.774 -6.839 -9.036 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.960 -5.644 -8.461 1.00 0.76 H new ATOM 323 N ARG A 77 17.582 -7.552 -4.753 1.00 0.74 N ATOM 324 CA ARG A 77 17.656 -8.307 -3.469 1.00 0.79 C ATOM 325 C ARG A 77 16.323 -9.062 -3.258 1.00 0.71 C ATOM 326 O ARG A 77 15.287 -8.439 -3.145 1.00 0.73 O ATOM 327 CB ARG A 77 17.864 -7.318 -2.318 1.00 0.85 C ATOM 328 CG ARG A 77 18.093 -8.083 -1.010 1.00 1.19 C ATOM 329 CD ARG A 77 18.090 -7.103 0.164 1.00 1.52 C ATOM 330 NE ARG A 77 18.948 -5.916 -0.163 1.00 2.13 N ATOM 331 CZ ARG A 77 20.210 -6.049 -0.480 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.809 -7.201 -0.349 1.00 2.73 N ATOM 333 NH2 ARG A 77 20.890 -5.008 -0.878 1.00 3.61 N ATOM 0 H ARG A 77 17.330 -6.568 -4.661 1.00 0.74 H new ATOM 0 HA ARG A 77 18.484 -9.015 -3.498 1.00 0.79 H new ATOM 0 HB2 ARG A 77 18.719 -6.676 -2.529 1.00 0.85 H new ATOM 0 HB3 ARG A 77 16.994 -6.669 -2.223 1.00 0.85 H new ATOM 0 HG2 ARG A 77 17.313 -8.832 -0.874 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.043 -8.616 -1.050 1.00 1.19 H new ATOM 0 HD2 ARG A 77 17.071 -6.779 0.377 1.00 1.52 H new ATOM 0 HD3 ARG A 77 18.462 -7.596 1.062 1.00 1.52 H new ATOM 0 HE ARG A 77 18.537 -4.983 -0.137 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.293 -8.007 0.003 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.793 -7.295 -0.599 1.00 2.73 H new ATOM 0 HH21 ARG A 77 20.437 -4.096 -0.941 1.00 3.61 H new ATOM 0 HH22 ARG A 77 21.874 -5.106 -1.126 1.00 3.61 H new ATOM 347 N PRO A 78 16.326 -10.379 -3.200 1.00 0.79 N ATOM 348 CA PRO A 78 15.069 -11.162 -2.994 1.00 0.76 C ATOM 349 C PRO A 78 14.159 -10.538 -1.925 1.00 0.67 C ATOM 350 O PRO A 78 14.564 -10.325 -0.800 1.00 0.69 O ATOM 351 CB PRO A 78 15.580 -12.533 -2.542 1.00 0.86 C ATOM 352 CG PRO A 78 16.904 -12.683 -3.219 1.00 1.18 C ATOM 353 CD PRO A 78 17.497 -11.270 -3.322 1.00 1.06 C ATOM 0 HA PRO A 78 14.455 -11.198 -3.894 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.681 -12.581 -1.458 1.00 0.86 H new ATOM 0 HB3 PRO A 78 14.893 -13.328 -2.833 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.561 -13.340 -2.648 1.00 1.18 H new ATOM 0 HG3 PRO A 78 16.788 -13.129 -4.207 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.224 -11.084 -2.531 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.013 -11.122 -4.271 1.00 1.06 H new ATOM 361 N MET A 79 12.932 -10.247 -2.269 1.00 0.65 N ATOM 362 CA MET A 79 12.002 -9.640 -1.272 1.00 0.61 C ATOM 363 C MET A 79 11.678 -10.668 -0.184 1.00 0.51 C ATOM 364 O MET A 79 10.992 -11.642 -0.422 1.00 0.56 O ATOM 365 CB MET A 79 10.711 -9.205 -1.972 1.00 0.66 C ATOM 366 CG MET A 79 9.935 -8.248 -1.064 1.00 0.74 C ATOM 367 SD MET A 79 10.777 -6.647 -1.017 1.00 1.25 S ATOM 368 CE MET A 79 9.461 -5.721 -0.192 1.00 0.83 C ATOM 0 H MET A 79 12.534 -10.403 -3.195 1.00 0.65 H new ATOM 0 HA MET A 79 12.475 -8.769 -0.817 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.945 -8.716 -2.918 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.100 -10.077 -2.206 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.917 -8.125 -1.433 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.862 -8.662 -0.058 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.850 -4.761 0.148 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.641 -5.554 -0.890 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.098 -6.289 0.665 1.00 0.83 H new ATOM 378 N THR A 80 12.175 -10.463 1.008 1.00 0.56 N ATOM 379 CA THR A 80 11.907 -11.429 2.116 1.00 0.60 C ATOM 380 C THR A 80 10.649 -11.041 2.876 1.00 0.56 C ATOM 381 O THR A 80 10.321 -9.882 3.002 1.00 0.50 O ATOM 382 CB THR A 80 13.097 -11.440 3.081 1.00 0.77 C ATOM 383 OG1 THR A 80 13.081 -10.260 3.871 1.00 0.94 O ATOM 384 CG2 THR A 80 14.400 -11.508 2.284 1.00 0.73 C ATOM 0 H THR A 80 12.757 -9.665 1.263 1.00 0.56 H new ATOM 0 HA THR A 80 11.765 -12.420 1.686 1.00 0.60 H new ATOM 0 HB THR A 80 13.027 -12.310 3.733 1.00 0.77 H new ATOM 0 HG1 THR A 80 13.920 -10.191 4.372 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.247 -11.516 2.971 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.412 -12.417 1.683 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.472 -10.639 1.629 1.00 0.73 H new ATOM 392 N TYR A 81 9.951 -12.006 3.427 1.00 0.61 N ATOM 393 CA TYR A 81 8.742 -11.666 4.224 1.00 0.60 C ATOM 394 C TYR A 81 9.222 -10.649 5.258 1.00 0.51 C ATOM 395 O TYR A 81 8.589 -9.646 5.522 1.00 0.45 O ATOM 396 CB TYR A 81 8.181 -12.956 4.885 1.00 0.69 C ATOM 397 CG TYR A 81 7.894 -12.753 6.361 1.00 0.60 C ATOM 398 CD1 TYR A 81 6.709 -12.126 6.767 1.00 0.59 C ATOM 399 CD2 TYR A 81 8.816 -13.191 7.320 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.448 -11.938 8.131 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.555 -13.003 8.682 1.00 0.77 C ATOM 402 CZ TYR A 81 7.371 -12.376 9.088 1.00 0.73 C ATOM 403 OH TYR A 81 7.114 -12.191 10.431 1.00 0.90 O ATOM 0 H TYR A 81 10.167 -13.001 3.358 1.00 0.61 H new ATOM 0 HA TYR A 81 7.932 -11.250 3.625 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.266 -13.258 4.375 1.00 0.69 H new ATOM 0 HB3 TYR A 81 8.897 -13.768 4.762 1.00 0.69 H new ATOM 0 HD1 TYR A 81 5.997 -11.788 6.029 1.00 0.59 H new ATOM 0 HD2 TYR A 81 9.730 -13.675 7.008 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.534 -11.455 8.444 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.267 -13.342 9.420 1.00 0.77 H new ATOM 0 HH TYR A 81 7.856 -12.554 10.959 1.00 0.90 H new ATOM 413 N LYS A 82 10.384 -10.897 5.793 1.00 0.52 N ATOM 414 CA LYS A 82 10.979 -9.950 6.755 1.00 0.48 C ATOM 415 C LYS A 82 11.152 -8.615 6.037 1.00 0.40 C ATOM 416 O LYS A 82 11.071 -7.561 6.638 1.00 0.38 O ATOM 417 CB LYS A 82 12.342 -10.474 7.217 1.00 0.55 C ATOM 418 CG LYS A 82 12.799 -9.701 8.455 1.00 0.60 C ATOM 419 CD LYS A 82 14.271 -10.017 8.733 1.00 0.92 C ATOM 420 CE LYS A 82 14.694 -9.376 10.056 1.00 1.49 C ATOM 421 NZ LYS A 82 16.012 -9.930 10.476 1.00 2.32 N ATOM 0 H LYS A 82 10.947 -11.725 5.598 1.00 0.52 H new ATOM 0 HA LYS A 82 10.340 -9.834 7.630 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.275 -11.538 7.445 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.075 -10.365 6.417 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.668 -8.630 8.298 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.188 -9.974 9.315 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.420 -11.096 8.776 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.893 -9.642 7.921 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.761 -8.294 9.943 1.00 1.49 H new ATOM 0 HE3 LYS A 82 13.944 -9.571 10.823 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 16.301 -9.495 11.375 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 15.932 -10.960 10.599 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 16.724 -9.723 9.747 1.00 2.32 H new ATOM 435 N ALA A 83 11.380 -8.642 4.739 1.00 0.42 N ATOM 436 CA ALA A 83 11.540 -7.351 4.008 1.00 0.41 C ATOM 437 C ALA A 83 10.222 -6.574 4.068 1.00 0.35 C ATOM 438 O ALA A 83 10.205 -5.365 4.174 1.00 0.34 O ATOM 439 CB ALA A 83 11.916 -7.616 2.545 1.00 0.52 C ATOM 0 H ALA A 83 11.460 -9.485 4.171 1.00 0.42 H new ATOM 0 HA ALA A 83 12.334 -6.768 4.475 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.030 -6.667 2.021 1.00 0.52 H new ATOM 0 HB2 ALA A 83 12.855 -8.168 2.505 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.130 -8.202 2.068 1.00 0.52 H new ATOM 445 N ALA A 84 9.115 -7.266 4.006 1.00 0.34 N ATOM 446 CA ALA A 84 7.794 -6.575 4.062 1.00 0.31 C ATOM 447 C ALA A 84 7.633 -5.883 5.417 1.00 0.28 C ATOM 448 O ALA A 84 7.336 -4.707 5.490 1.00 0.28 O ATOM 449 CB ALA A 84 6.675 -7.604 3.882 1.00 0.34 C ATOM 0 H ALA A 84 9.069 -8.281 3.919 1.00 0.34 H new ATOM 0 HA ALA A 84 7.740 -5.831 3.267 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.709 -7.101 3.923 1.00 0.34 H new ATOM 0 HB2 ALA A 84 6.787 -8.098 2.917 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.732 -8.346 4.678 1.00 0.34 H new ATOM 455 N VAL A 85 7.819 -6.602 6.491 1.00 0.29 N ATOM 456 CA VAL A 85 7.666 -5.980 7.837 1.00 0.29 C ATOM 457 C VAL A 85 8.714 -4.881 8.010 1.00 0.29 C ATOM 458 O VAL A 85 8.423 -3.807 8.496 1.00 0.30 O ATOM 459 CB VAL A 85 7.848 -7.054 8.919 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.206 -6.586 10.230 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.179 -8.351 8.463 1.00 0.38 C ATOM 0 H VAL A 85 8.070 -7.591 6.495 1.00 0.29 H new ATOM 0 HA VAL A 85 6.671 -5.544 7.930 1.00 0.29 H new ATOM 0 HB VAL A 85 8.912 -7.225 9.080 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.338 -7.352 10.994 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.681 -5.661 10.558 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.142 -6.411 10.072 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.307 -9.115 9.230 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.116 -8.174 8.300 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.637 -8.689 7.533 1.00 0.38 H new ATOM 471 N ASP A 86 9.925 -5.130 7.605 1.00 0.30 N ATOM 472 CA ASP A 86 10.966 -4.079 7.739 1.00 0.32 C ATOM 473 C ASP A 86 10.527 -2.878 6.905 1.00 0.30 C ATOM 474 O ASP A 86 10.483 -1.760 7.377 1.00 0.31 O ATOM 475 CB ASP A 86 12.303 -4.610 7.216 1.00 0.36 C ATOM 476 CG ASP A 86 12.794 -5.740 8.122 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.018 -6.189 8.950 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.938 -6.138 7.974 1.00 1.23 O ATOM 0 H ASP A 86 10.237 -6.008 7.190 1.00 0.30 H new ATOM 0 HA ASP A 86 11.089 -3.793 8.784 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.188 -4.973 6.195 1.00 0.36 H new ATOM 0 HB3 ASP A 86 13.039 -3.807 7.188 1.00 0.36 H new ATOM 483 N LEU A 87 10.184 -3.113 5.670 1.00 0.29 N ATOM 484 CA LEU A 87 9.726 -2.003 4.794 1.00 0.30 C ATOM 485 C LEU A 87 8.429 -1.409 5.354 1.00 0.29 C ATOM 486 O LEU A 87 8.223 -0.212 5.320 1.00 0.30 O ATOM 487 CB LEU A 87 9.471 -2.542 3.382 1.00 0.33 C ATOM 488 CG LEU A 87 9.340 -1.374 2.381 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.726 -0.945 1.883 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.498 -1.816 1.178 1.00 0.44 C ATOM 0 H LEU A 87 10.202 -4.032 5.228 1.00 0.29 H new ATOM 0 HA LEU A 87 10.493 -1.229 4.757 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.288 -3.198 3.082 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.561 -3.142 3.373 1.00 0.33 H new ATOM 0 HG LEU A 87 8.859 -0.536 2.886 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.620 -0.121 1.178 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.333 -0.623 2.729 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.211 -1.786 1.388 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.408 -0.989 0.474 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.981 -2.660 0.686 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.506 -2.113 1.518 1.00 0.44 H new ATOM 502 N SER A 88 7.547 -2.231 5.865 1.00 0.30 N ATOM 503 CA SER A 88 6.270 -1.693 6.412 1.00 0.34 C ATOM 504 C SER A 88 6.567 -0.560 7.395 1.00 0.33 C ATOM 505 O SER A 88 6.018 0.519 7.296 1.00 0.36 O ATOM 506 CB SER A 88 5.512 -2.805 7.134 1.00 0.40 C ATOM 507 OG SER A 88 6.171 -3.108 8.357 1.00 0.44 O ATOM 0 H SER A 88 7.657 -3.243 5.926 1.00 0.30 H new ATOM 0 HA SER A 88 5.662 -1.311 5.592 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.486 -2.494 7.328 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.462 -3.694 6.505 1.00 0.40 H new ATOM 0 HG SER A 88 5.812 -2.542 9.071 1.00 0.44 H new ATOM 513 N HIS A 89 7.425 -0.797 8.348 1.00 0.34 N ATOM 514 CA HIS A 89 7.746 0.266 9.340 1.00 0.36 C ATOM 515 C HIS A 89 8.627 1.336 8.697 1.00 0.36 C ATOM 516 O HIS A 89 8.561 2.497 9.052 1.00 0.41 O ATOM 517 CB HIS A 89 8.478 -0.350 10.532 1.00 0.41 C ATOM 518 CG HIS A 89 7.578 -1.342 11.214 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.111 -2.479 10.573 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.049 -1.380 12.480 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.337 -3.147 11.448 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.265 -2.521 12.625 1.00 0.82 N ATOM 0 H HIS A 89 7.917 -1.680 8.482 1.00 0.34 H new ATOM 0 HA HIS A 89 6.818 0.726 9.679 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.391 -0.842 10.197 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.775 0.430 11.233 1.00 0.41 H new ATOM 0 HD1 HIS A 89 7.316 -2.758 9.614 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.216 -0.638 13.247 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.835 -4.077 11.225 1.00 1.27 H new ATOM 530 N PHE A 90 9.454 0.969 7.756 1.00 0.34 N ATOM 531 CA PHE A 90 10.326 1.990 7.111 1.00 0.37 C ATOM 532 C PHE A 90 9.443 3.095 6.535 1.00 0.40 C ATOM 533 O PHE A 90 9.542 4.245 6.915 1.00 0.47 O ATOM 534 CB PHE A 90 11.138 1.341 5.987 1.00 0.38 C ATOM 535 CG PHE A 90 12.245 2.277 5.559 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.432 2.342 6.302 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.086 3.081 4.424 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.457 3.211 5.908 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.112 3.949 4.030 1.00 0.70 C ATOM 540 CZ PHE A 90 14.297 4.014 4.772 1.00 0.72 C ATOM 0 H PHE A 90 9.563 0.016 7.409 1.00 0.34 H new ATOM 0 HA PHE A 90 11.013 2.408 7.847 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.559 0.395 6.328 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.490 1.115 5.140 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.556 1.722 7.178 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.171 3.032 3.852 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.371 3.262 6.481 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.989 4.568 3.154 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.088 4.684 4.468 1.00 0.72 H new ATOM 550 N LEU A 91 8.573 2.755 5.626 1.00 0.37 N ATOM 551 CA LEU A 91 7.674 3.786 5.034 1.00 0.42 C ATOM 552 C LEU A 91 6.816 4.411 6.139 1.00 0.47 C ATOM 553 O LEU A 91 6.371 5.537 6.028 1.00 0.57 O ATOM 554 CB LEU A 91 6.769 3.126 3.984 1.00 0.41 C ATOM 555 CG LEU A 91 7.555 2.895 2.674 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.920 1.746 1.885 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.529 4.164 1.808 1.00 0.54 C ATOM 0 H LEU A 91 8.445 1.809 5.267 1.00 0.37 H new ATOM 0 HA LEU A 91 8.270 4.565 4.560 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.392 2.176 4.363 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.903 3.758 3.790 1.00 0.41 H new ATOM 0 HG LEU A 91 8.586 2.648 2.927 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.478 1.587 0.962 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.943 0.836 2.485 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.886 1.996 1.646 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.086 3.988 0.888 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.497 4.417 1.564 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.985 4.988 2.356 1.00 0.54 H new ATOM 569 N LYS A 92 6.572 3.690 7.203 1.00 0.45 N ATOM 570 CA LYS A 92 5.736 4.244 8.306 1.00 0.53 C ATOM 571 C LYS A 92 6.456 5.425 8.972 1.00 0.63 C ATOM 572 O LYS A 92 5.943 6.524 9.026 1.00 0.85 O ATOM 573 CB LYS A 92 5.480 3.138 9.335 1.00 0.54 C ATOM 574 CG LYS A 92 4.272 3.492 10.214 1.00 0.73 C ATOM 575 CD LYS A 92 4.578 4.729 11.077 1.00 1.20 C ATOM 576 CE LYS A 92 3.706 4.715 12.336 1.00 1.61 C ATOM 577 NZ LYS A 92 4.205 3.670 13.275 1.00 2.27 N ATOM 0 H LYS A 92 6.916 2.742 7.354 1.00 0.45 H new ATOM 0 HA LYS A 92 4.788 4.600 7.904 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.301 2.192 8.824 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.364 3.001 9.958 1.00 0.54 H new ATOM 0 HG2 LYS A 92 3.402 3.685 9.586 1.00 0.73 H new ATOM 0 HG3 LYS A 92 4.021 2.647 10.855 1.00 0.73 H new ATOM 0 HD2 LYS A 92 5.632 4.738 11.354 1.00 1.20 H new ATOM 0 HD3 LYS A 92 4.391 5.638 10.505 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.729 5.693 12.818 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.668 4.514 12.070 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 3.901 3.899 14.243 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 3.819 2.744 13.001 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 5.244 3.637 13.237 1.00 2.27 H new ATOM 591 N GLU A 93 7.635 5.205 9.488 1.00 0.62 N ATOM 592 CA GLU A 93 8.373 6.316 10.161 1.00 0.76 C ATOM 593 C GLU A 93 8.761 7.390 9.137 1.00 0.77 C ATOM 594 O GLU A 93 9.083 8.506 9.491 1.00 1.05 O ATOM 595 CB GLU A 93 9.639 5.759 10.818 1.00 0.94 C ATOM 596 CG GLU A 93 9.250 4.814 11.958 1.00 1.22 C ATOM 597 CD GLU A 93 10.506 4.396 12.725 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.296 5.267 13.050 1.00 2.54 O ATOM 599 OE2 GLU A 93 10.657 3.212 12.974 1.00 2.73 O ATOM 0 H GLU A 93 8.119 4.307 9.474 1.00 0.62 H new ATOM 0 HA GLU A 93 7.729 6.764 10.918 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.241 5.228 10.080 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.252 6.575 11.201 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.548 5.307 12.630 1.00 1.22 H new ATOM 0 HG3 GLU A 93 8.745 3.934 11.559 1.00 1.22 H new ATOM 606 N LYS A 94 8.734 7.066 7.872 1.00 0.80 N ATOM 607 CA LYS A 94 9.102 8.074 6.835 1.00 1.02 C ATOM 608 C LYS A 94 7.922 9.032 6.620 1.00 0.96 C ATOM 609 O LYS A 94 7.732 9.564 5.543 1.00 1.41 O ATOM 610 CB LYS A 94 9.464 7.340 5.517 1.00 1.39 C ATOM 611 CG LYS A 94 10.904 7.667 5.093 1.00 1.63 C ATOM 612 CD LYS A 94 11.195 7.022 3.736 1.00 2.18 C ATOM 613 CE LYS A 94 12.551 7.505 3.220 1.00 2.61 C ATOM 614 NZ LYS A 94 13.597 7.253 4.253 1.00 2.96 N ATOM 0 H LYS A 94 8.473 6.148 7.512 1.00 0.80 H new ATOM 0 HA LYS A 94 9.966 8.653 7.161 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.355 6.264 5.652 1.00 1.39 H new ATOM 0 HB3 LYS A 94 8.771 7.634 4.729 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.040 8.747 5.031 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.607 7.300 5.841 1.00 1.63 H new ATOM 0 HD2 LYS A 94 11.196 5.936 3.831 1.00 2.18 H new ATOM 0 HD3 LYS A 94 10.411 7.279 3.024 1.00 2.18 H new ATOM 0 HE2 LYS A 94 12.806 6.986 2.296 1.00 2.61 H new ATOM 0 HE3 LYS A 94 12.505 8.569 2.986 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 14.538 7.406 3.838 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 13.460 7.905 5.052 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 13.522 6.272 4.590 1.00 2.96 H new ATOM 628 N GLY A 95 7.135 9.254 7.642 1.00 1.12 N ATOM 629 CA GLY A 95 5.959 10.178 7.522 1.00 1.51 C ATOM 630 C GLY A 95 4.699 9.472 8.027 1.00 1.10 C ATOM 631 O GLY A 95 4.117 9.868 9.019 1.00 1.71 O ATOM 0 H GLY A 95 7.255 8.833 8.563 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.136 11.085 8.099 1.00 1.51 H new ATOM 0 HA3 GLY A 95 5.827 10.482 6.484 1.00 1.51 H new ATOM 635 N GLY A 96 4.273 8.427 7.357 1.00 1.17 N ATOM 636 CA GLY A 96 3.047 7.683 7.795 1.00 0.99 C ATOM 637 C GLY A 96 2.056 7.563 6.625 1.00 0.81 C ATOM 638 O GLY A 96 1.294 8.471 6.356 1.00 0.83 O ATOM 0 H GLY A 96 4.724 8.055 6.521 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.322 6.691 8.152 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.576 8.202 8.629 1.00 0.99 H new ATOM 642 N LEU A 97 2.047 6.447 5.939 1.00 0.67 N ATOM 643 CA LEU A 97 1.093 6.269 4.805 1.00 0.55 C ATOM 644 C LEU A 97 -0.279 5.921 5.395 1.00 0.46 C ATOM 645 O LEU A 97 -1.299 6.000 4.742 1.00 0.49 O ATOM 646 CB LEU A 97 1.606 5.118 3.918 1.00 0.54 C ATOM 647 CG LEU A 97 0.591 4.753 2.824 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.374 5.950 1.893 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.139 3.574 2.013 1.00 0.66 C ATOM 0 H LEU A 97 2.660 5.652 6.117 1.00 0.67 H new ATOM 0 HA LEU A 97 1.011 7.174 4.203 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.551 5.406 3.457 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.806 4.243 4.536 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.359 4.483 3.285 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.347 5.684 1.120 1.00 0.65 H new ATOM 0 HD12 LEU A 97 -0.006 6.794 2.468 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.320 6.225 1.427 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.426 3.306 1.233 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.088 3.856 1.556 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.294 2.720 2.672 1.00 0.66 H new ATOM 661 N GLU A 98 -0.287 5.535 6.639 1.00 0.44 N ATOM 662 CA GLU A 98 -1.555 5.159 7.329 1.00 0.40 C ATOM 663 C GLU A 98 -2.635 6.229 7.157 1.00 0.40 C ATOM 664 O GLU A 98 -2.365 7.406 7.025 1.00 0.58 O ATOM 665 CB GLU A 98 -1.267 5.005 8.822 1.00 0.49 C ATOM 666 CG GLU A 98 -2.534 4.559 9.556 1.00 0.48 C ATOM 667 CD GLU A 98 -2.196 4.261 11.019 1.00 1.26 C ATOM 668 OE1 GLU A 98 -1.455 5.034 11.604 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.683 3.265 11.528 1.00 1.94 O ATOM 0 H GLU A 98 0.548 5.462 7.220 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.918 4.230 6.890 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.472 4.274 8.974 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.913 5.951 9.232 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -3.294 5.338 9.498 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.950 3.671 9.079 1.00 0.48 H new ATOM 676 N GLY A 99 -3.864 5.801 7.216 1.00 0.39 N ATOM 677 CA GLY A 99 -5.024 6.732 7.123 1.00 0.42 C ATOM 678 C GLY A 99 -5.028 7.531 5.813 1.00 0.42 C ATOM 679 O GLY A 99 -5.945 8.284 5.554 1.00 0.46 O ATOM 0 H GLY A 99 -4.120 4.820 7.328 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.950 6.163 7.201 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.001 7.422 7.966 1.00 0.42 H new ATOM 683 N LEU A 100 -4.033 7.391 4.984 1.00 0.41 N ATOM 684 CA LEU A 100 -4.037 8.172 3.707 1.00 0.43 C ATOM 685 C LEU A 100 -5.037 7.533 2.732 1.00 0.42 C ATOM 686 O LEU A 100 -4.887 6.395 2.336 1.00 0.44 O ATOM 687 CB LEU A 100 -2.622 8.174 3.094 1.00 0.45 C ATOM 688 CG LEU A 100 -2.401 9.452 2.254 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.959 10.611 3.158 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.313 9.201 1.205 1.00 1.17 C ATOM 0 H LEU A 100 -3.228 6.782 5.127 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.333 9.202 3.904 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.875 8.118 3.886 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.489 7.292 2.468 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.339 9.711 1.763 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.807 11.506 2.554 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.729 10.804 3.905 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.027 10.347 3.658 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.161 10.105 0.615 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.382 8.932 1.704 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.621 8.387 0.549 1.00 1.17 H new ATOM 702 N ILE A 101 -6.068 8.248 2.353 1.00 0.44 N ATOM 703 CA ILE A 101 -7.073 7.657 1.421 1.00 0.45 C ATOM 704 C ILE A 101 -6.431 7.313 0.072 1.00 0.46 C ATOM 705 O ILE A 101 -6.111 8.175 -0.722 1.00 0.49 O ATOM 706 CB ILE A 101 -8.278 8.611 1.252 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.253 8.430 2.442 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.018 8.339 -0.068 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.170 7.198 2.240 1.00 0.52 C ATOM 0 H ILE A 101 -6.255 9.207 2.647 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.442 6.726 1.852 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.905 9.635 1.231 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.685 8.315 3.365 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.864 9.326 2.553 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.861 9.024 -0.161 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.336 8.488 -0.905 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.383 7.312 -0.076 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.841 7.100 3.093 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.756 7.326 1.330 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.559 6.300 2.155 1.00 0.52 H new ATOM 721 N HIS A 102 -6.267 6.041 -0.190 1.00 0.47 N ATOM 722 CA HIS A 102 -5.678 5.596 -1.484 1.00 0.51 C ATOM 723 C HIS A 102 -6.653 5.956 -2.613 1.00 0.58 C ATOM 724 O HIS A 102 -7.669 5.307 -2.803 1.00 0.64 O ATOM 725 CB HIS A 102 -5.447 4.073 -1.429 1.00 0.57 C ATOM 726 CG HIS A 102 -5.374 3.488 -2.818 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.275 2.533 -3.263 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.521 3.715 -3.868 1.00 0.64 C ATOM 729 CE1 HIS A 102 -5.948 2.224 -4.530 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.885 2.916 -4.949 1.00 0.70 N ATOM 0 H HIS A 102 -6.520 5.285 0.447 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.723 6.089 -1.667 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.523 3.861 -0.892 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.255 3.599 -0.872 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.046 2.136 -2.726 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.693 4.408 -3.858 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.480 1.504 -5.135 1.00 1.36 H new ATOM 738 N SER A 103 -6.348 6.986 -3.358 1.00 0.60 N ATOM 739 CA SER A 103 -7.245 7.401 -4.473 1.00 0.69 C ATOM 740 C SER A 103 -7.248 6.327 -5.563 1.00 0.76 C ATOM 741 O SER A 103 -8.181 5.557 -5.684 1.00 0.85 O ATOM 742 CB SER A 103 -6.745 8.719 -5.062 1.00 0.74 C ATOM 743 OG SER A 103 -7.562 9.077 -6.169 1.00 1.49 O ATOM 0 H SER A 103 -5.512 7.559 -3.240 1.00 0.60 H new ATOM 0 HA SER A 103 -8.258 7.530 -4.091 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.773 9.503 -4.305 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.707 8.619 -5.378 1.00 0.74 H new ATOM 0 HG SER A 103 -7.246 9.923 -6.549 1.00 1.49 H new ATOM 749 N GLN A 104 -6.218 6.275 -6.365 1.00 0.81 N ATOM 750 CA GLN A 104 -6.176 5.255 -7.449 1.00 0.92 C ATOM 751 C GLN A 104 -4.769 5.191 -8.051 1.00 0.93 C ATOM 752 O GLN A 104 -4.063 4.213 -7.899 1.00 1.37 O ATOM 753 CB GLN A 104 -7.180 5.645 -8.539 1.00 1.06 C ATOM 754 CG GLN A 104 -7.114 4.638 -9.689 1.00 1.76 C ATOM 755 CD GLN A 104 -8.261 4.906 -10.664 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.177 4.114 -10.777 1.00 2.64 O ATOM 757 NE2 GLN A 104 -8.252 5.998 -11.379 1.00 2.70 N ATOM 0 H GLN A 104 -5.408 6.893 -6.316 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.432 4.278 -7.039 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -8.188 5.672 -8.125 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.960 6.647 -8.908 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -6.157 4.720 -10.204 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -7.181 3.621 -9.301 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -7.484 6.663 -11.285 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -9.013 6.186 -12.032 1.00 2.70 H new ATOM 766 N ARG A 105 -4.361 6.219 -8.745 1.00 0.83 N ATOM 767 CA ARG A 105 -3.005 6.212 -9.367 1.00 0.87 C ATOM 768 C ARG A 105 -1.928 6.363 -8.288 1.00 0.74 C ATOM 769 O ARG A 105 -0.779 6.023 -8.495 1.00 0.70 O ATOM 770 CB ARG A 105 -2.901 7.370 -10.363 1.00 1.06 C ATOM 771 CG ARG A 105 -3.950 7.189 -11.462 1.00 1.71 C ATOM 772 CD ARG A 105 -4.044 8.465 -12.299 1.00 1.99 C ATOM 773 NE ARG A 105 -5.171 8.344 -13.266 1.00 2.86 N ATOM 774 CZ ARG A 105 -5.632 9.407 -13.867 1.00 3.60 C ATOM 775 NH1 ARG A 105 -5.111 10.577 -13.614 1.00 3.73 N ATOM 776 NH2 ARG A 105 -6.616 9.300 -14.717 1.00 4.61 N ATOM 0 H ARG A 105 -4.908 7.064 -8.908 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.853 5.265 -9.885 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -3.055 8.320 -9.851 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.903 7.401 -10.799 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.683 6.344 -12.097 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.919 6.961 -11.019 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -4.199 9.327 -11.650 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -3.109 8.632 -12.833 1.00 1.99 H new ATOM 0 HE ARG A 105 -5.582 7.431 -13.458 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -4.344 10.660 -12.947 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -5.471 11.408 -14.083 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -7.025 8.386 -14.912 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -6.977 10.130 -15.187 1.00 4.61 H new ATOM 790 N ARG A 106 -2.282 6.871 -7.139 1.00 0.71 N ATOM 791 CA ARG A 106 -1.267 7.036 -6.060 1.00 0.65 C ATOM 792 C ARG A 106 -0.616 5.683 -5.769 1.00 0.54 C ATOM 793 O ARG A 106 0.526 5.608 -5.357 1.00 0.50 O ATOM 794 CB ARG A 106 -1.944 7.567 -4.788 1.00 0.70 C ATOM 795 CG ARG A 106 -0.877 8.016 -3.753 1.00 1.01 C ATOM 796 CD ARG A 106 -0.719 9.546 -3.770 1.00 1.24 C ATOM 797 NE ARG A 106 -0.493 10.018 -5.164 1.00 1.86 N ATOM 798 CZ ARG A 106 -0.639 11.282 -5.454 1.00 2.48 C ATOM 799 NH1 ARG A 106 -0.975 12.131 -4.523 1.00 2.86 N ATOM 800 NH2 ARG A 106 -0.446 11.695 -6.678 1.00 3.29 N ATOM 0 H ARG A 106 -3.225 7.178 -6.901 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.506 7.746 -6.382 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.593 8.406 -5.037 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.577 6.792 -4.355 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.168 7.686 -2.756 1.00 1.01 H new ATOM 0 HG3 ARG A 106 0.079 7.543 -3.979 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -1.612 10.017 -3.358 1.00 1.24 H new ATOM 0 HD3 ARG A 106 0.118 9.841 -3.137 1.00 1.24 H new ATOM 0 HE ARG A 106 -0.225 9.355 -5.891 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -1.124 11.807 -3.567 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -1.089 13.119 -4.751 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -0.182 11.030 -7.405 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -0.560 12.682 -6.907 1.00 3.29 H new ATOM 814 N GLN A 107 -1.328 4.611 -5.984 1.00 0.55 N ATOM 815 CA GLN A 107 -0.746 3.265 -5.726 1.00 0.52 C ATOM 816 C GLN A 107 0.451 3.053 -6.658 1.00 0.49 C ATOM 817 O GLN A 107 1.467 2.514 -6.268 1.00 0.44 O ATOM 818 CB GLN A 107 -1.815 2.195 -5.995 1.00 0.63 C ATOM 819 CG GLN A 107 -1.189 0.792 -5.983 1.00 1.11 C ATOM 820 CD GLN A 107 -0.358 0.602 -4.712 1.00 1.53 C ATOM 821 OE1 GLN A 107 -0.897 0.380 -3.647 1.00 2.13 O ATOM 822 NE2 GLN A 107 0.943 0.678 -4.781 1.00 2.12 N ATOM 0 H GLN A 107 -2.288 4.610 -6.327 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.415 3.190 -4.690 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.598 2.257 -5.239 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.288 2.380 -6.959 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -1.972 0.035 -6.033 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.560 0.658 -6.863 1.00 1.11 H new ATOM 0 HE21 GLN A 107 1.396 0.864 -5.676 1.00 2.12 H new ATOM 0 HE22 GLN A 107 1.507 0.551 -3.940 1.00 2.12 H new ATOM 831 N ASP A 108 0.337 3.477 -7.887 1.00 0.56 N ATOM 832 CA ASP A 108 1.465 3.303 -8.847 1.00 0.59 C ATOM 833 C ASP A 108 2.714 4.012 -8.313 1.00 0.54 C ATOM 834 O ASP A 108 3.787 3.445 -8.266 1.00 0.54 O ATOM 835 CB ASP A 108 1.080 3.904 -10.201 1.00 0.72 C ATOM 836 CG ASP A 108 -0.076 3.105 -10.804 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.188 2.061 -11.379 1.00 1.42 O ATOM 838 OD2 ASP A 108 -1.205 3.550 -10.683 1.00 1.33 O ATOM 0 H ASP A 108 -0.490 3.937 -8.269 1.00 0.56 H new ATOM 0 HA ASP A 108 1.676 2.240 -8.965 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.790 4.947 -10.078 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.937 3.889 -10.874 1.00 0.72 H new ATOM 843 N ILE A 109 2.584 5.249 -7.920 1.00 0.55 N ATOM 844 CA ILE A 109 3.767 5.996 -7.398 1.00 0.54 C ATOM 845 C ILE A 109 4.436 5.177 -6.286 1.00 0.47 C ATOM 846 O ILE A 109 5.630 4.951 -6.302 1.00 0.53 O ATOM 847 CB ILE A 109 3.306 7.365 -6.857 1.00 0.59 C ATOM 848 CG1 ILE A 109 3.063 8.325 -8.029 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.378 7.971 -5.940 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.910 7.813 -8.895 1.00 1.47 C ATOM 0 H ILE A 109 1.711 5.776 -7.937 1.00 0.55 H new ATOM 0 HA ILE A 109 4.489 6.157 -8.198 1.00 0.54 H new ATOM 0 HB ILE A 109 2.387 7.219 -6.290 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.831 9.321 -7.652 1.00 0.70 H new ATOM 0 HG13 ILE A 109 3.968 8.415 -8.630 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.035 8.936 -5.568 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.558 7.301 -5.099 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.303 8.106 -6.501 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.745 8.501 -9.724 1.00 1.47 H new ATOM 0 HD12 ILE A 109 2.159 6.826 -9.286 1.00 1.47 H new ATOM 0 HD13 ILE A 109 1.004 7.747 -8.293 1.00 1.47 H new ATOM 862 N LEU A 110 3.676 4.739 -5.320 1.00 0.43 N ATOM 863 CA LEU A 110 4.264 3.941 -4.202 1.00 0.39 C ATOM 864 C LEU A 110 5.205 2.870 -4.766 1.00 0.38 C ATOM 865 O LEU A 110 6.404 2.930 -4.588 1.00 0.38 O ATOM 866 CB LEU A 110 3.127 3.278 -3.410 1.00 0.42 C ATOM 867 CG LEU A 110 3.684 2.245 -2.420 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.820 2.864 -1.598 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.561 1.798 -1.478 1.00 0.66 C ATOM 0 H LEU A 110 2.671 4.899 -5.255 1.00 0.43 H new ATOM 0 HA LEU A 110 4.835 4.595 -3.543 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.562 4.038 -2.870 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.433 2.793 -4.097 1.00 0.42 H new ATOM 0 HG LEU A 110 4.071 1.389 -2.972 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.208 2.124 -0.899 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.619 3.186 -2.266 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.442 3.723 -1.044 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.949 1.064 -0.772 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.179 2.661 -0.932 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.755 1.351 -2.059 1.00 0.66 H new ATOM 881 N ASP A 111 4.669 1.890 -5.437 1.00 0.40 N ATOM 882 CA ASP A 111 5.526 0.809 -6.005 1.00 0.42 C ATOM 883 C ASP A 111 6.656 1.406 -6.853 1.00 0.43 C ATOM 884 O ASP A 111 7.754 0.888 -6.887 1.00 0.42 O ATOM 885 CB ASP A 111 4.668 -0.106 -6.883 1.00 0.50 C ATOM 886 CG ASP A 111 3.420 -0.535 -6.107 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.386 -0.312 -4.908 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.521 -1.079 -6.726 1.00 1.19 O ATOM 0 H ASP A 111 3.670 1.789 -5.618 1.00 0.40 H new ATOM 0 HA ASP A 111 5.964 0.241 -5.184 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.380 0.414 -7.797 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.242 -0.983 -7.183 1.00 0.50 H new ATOM 893 N LEU A 112 6.394 2.476 -7.549 1.00 0.48 N ATOM 894 CA LEU A 112 7.453 3.085 -8.409 1.00 0.52 C ATOM 895 C LEU A 112 8.603 3.611 -7.541 1.00 0.48 C ATOM 896 O LEU A 112 9.748 3.256 -7.737 1.00 0.47 O ATOM 897 CB LEU A 112 6.836 4.235 -9.227 1.00 0.60 C ATOM 898 CG LEU A 112 7.609 4.438 -10.537 1.00 0.70 C ATOM 899 CD1 LEU A 112 6.895 5.491 -11.387 1.00 1.45 C ATOM 900 CD2 LEU A 112 9.037 4.910 -10.234 1.00 1.26 C ATOM 0 H LEU A 112 5.494 2.957 -7.562 1.00 0.48 H new ATOM 0 HA LEU A 112 7.852 2.329 -9.086 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.791 4.014 -9.445 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.852 5.155 -8.642 1.00 0.60 H new ATOM 0 HG LEU A 112 7.652 3.493 -11.079 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.441 5.638 -12.319 1.00 1.45 H new ATOM 0 HD12 LEU A 112 5.883 5.154 -11.609 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.852 6.432 -10.839 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.579 5.052 -11.169 1.00 1.26 H new ATOM 0 HD22 LEU A 112 9.000 5.853 -9.689 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.547 4.161 -9.629 1.00 1.26 H new ATOM 912 N TRP A 113 8.315 4.453 -6.590 1.00 0.48 N ATOM 913 CA TRP A 113 9.407 4.993 -5.730 1.00 0.48 C ATOM 914 C TRP A 113 10.279 3.839 -5.236 1.00 0.43 C ATOM 915 O TRP A 113 11.491 3.900 -5.291 1.00 0.45 O ATOM 916 CB TRP A 113 8.796 5.743 -4.539 1.00 0.52 C ATOM 917 CG TRP A 113 9.867 6.115 -3.560 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.666 7.203 -3.653 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.262 5.421 -2.342 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.527 7.219 -2.570 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.315 6.141 -1.733 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.811 4.247 -1.715 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.902 5.712 -0.541 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.398 3.811 -0.516 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.442 4.542 0.070 1.00 0.67 C ATOM 0 H TRP A 113 7.378 4.790 -6.370 1.00 0.48 H new ATOM 0 HA TRP A 113 10.023 5.684 -6.305 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.284 6.640 -4.888 1.00 0.52 H new ATOM 0 HB3 TRP A 113 8.048 5.118 -4.051 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.637 7.939 -4.443 1.00 0.66 H new ATOM 0 HE1 TRP A 113 12.232 7.939 -2.409 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.008 3.677 -2.158 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.705 6.280 -0.095 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.044 2.907 -0.042 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.890 4.201 0.992 1.00 0.67 H new ATOM 936 N ILE A 114 9.680 2.782 -4.771 1.00 0.39 N ATOM 937 CA ILE A 114 10.495 1.633 -4.300 1.00 0.37 C ATOM 938 C ILE A 114 11.382 1.155 -5.458 1.00 0.39 C ATOM 939 O ILE A 114 12.442 0.596 -5.254 1.00 0.44 O ATOM 940 CB ILE A 114 9.571 0.494 -3.851 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.550 1.029 -2.843 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.400 -0.608 -3.183 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.557 -0.079 -2.490 1.00 1.00 C ATOM 0 H ILE A 114 8.670 2.664 -4.697 1.00 0.39 H new ATOM 0 HA ILE A 114 11.116 1.937 -3.457 1.00 0.37 H new ATOM 0 HB ILE A 114 9.054 0.089 -4.721 1.00 0.37 H new ATOM 0 HG12 ILE A 114 9.058 1.377 -1.944 1.00 0.37 H new ATOM 0 HG13 ILE A 114 8.022 1.885 -3.263 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.742 -1.416 -2.865 1.00 0.42 H new ATOM 0 HG22 ILE A 114 11.131 -0.994 -3.893 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.918 -0.199 -2.315 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.829 0.300 -1.772 1.00 1.00 H new ATOM 0 HD12 ILE A 114 7.041 -0.406 -3.393 1.00 1.00 H new ATOM 0 HD13 ILE A 114 8.093 -0.922 -2.053 1.00 1.00 H new ATOM 955 N TYR A 115 10.943 1.359 -6.674 1.00 0.40 N ATOM 956 CA TYR A 115 11.742 0.904 -7.851 1.00 0.46 C ATOM 957 C TYR A 115 13.073 1.665 -7.952 1.00 0.51 C ATOM 958 O TYR A 115 14.129 1.109 -7.719 1.00 0.54 O ATOM 959 CB TYR A 115 10.930 1.124 -9.132 1.00 0.53 C ATOM 960 CG TYR A 115 11.513 0.297 -10.259 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.346 -1.095 -10.268 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.219 0.923 -11.296 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.884 -1.858 -11.312 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.756 0.158 -12.338 1.00 0.82 C ATOM 965 CZ TYR A 115 12.590 -1.231 -12.347 1.00 0.77 C ATOM 966 OH TYR A 115 13.120 -1.982 -13.376 1.00 0.87 O ATOM 0 H TYR A 115 10.063 1.822 -6.902 1.00 0.40 H new ATOM 0 HA TYR A 115 11.965 -0.155 -7.724 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.889 0.846 -8.966 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.939 2.180 -9.402 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.803 -1.579 -9.470 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.348 1.995 -11.291 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.755 -2.930 -11.319 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.300 0.641 -13.137 1.00 0.82 H new ATOM 0 HH TYR A 115 13.577 -1.391 -14.010 1.00 0.87 H new ATOM 976 N HIS A 116 13.044 2.920 -8.331 1.00 0.58 N ATOM 977 CA HIS A 116 14.327 3.683 -8.480 1.00 0.67 C ATOM 978 C HIS A 116 15.018 3.888 -7.128 1.00 0.67 C ATOM 979 O HIS A 116 15.791 4.806 -6.962 1.00 0.81 O ATOM 980 CB HIS A 116 14.062 5.034 -9.165 1.00 0.79 C ATOM 981 CG HIS A 116 13.480 6.041 -8.203 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.116 6.276 -8.116 1.00 1.99 N ATOM 983 CD2 HIS A 116 14.066 6.918 -7.320 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.930 7.260 -7.215 1.00 2.71 C ATOM 985 NE2 HIS A 116 13.085 7.683 -6.699 1.00 2.74 N ATOM 0 H HIS A 116 12.196 3.447 -8.542 1.00 0.58 H new ATOM 0 HA HIS A 116 14.999 3.096 -9.105 1.00 0.67 H new ATOM 0 HB2 HIS A 116 14.993 5.421 -9.579 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.377 4.891 -10.001 1.00 0.79 H new ATOM 0 HD2 HIS A 116 15.127 7.000 -7.137 1.00 2.05 H new ATOM 0 HE1 HIS A 116 10.963 7.658 -6.943 1.00 2.71 H new ATOM 0 HE2 HIS A 116 13.220 8.412 -5.998 1.00 2.74 H new ATOM 993 N THR A 117 14.760 3.035 -6.167 1.00 0.63 N ATOM 994 CA THR A 117 15.420 3.170 -4.825 1.00 0.68 C ATOM 995 C THR A 117 16.113 1.857 -4.453 1.00 0.66 C ATOM 996 O THR A 117 17.278 1.657 -4.734 1.00 0.73 O ATOM 997 CB THR A 117 14.366 3.494 -3.770 1.00 0.80 C ATOM 998 OG1 THR A 117 13.327 2.532 -3.840 1.00 0.85 O ATOM 999 CG2 THR A 117 13.795 4.891 -4.022 1.00 0.91 C ATOM 0 H THR A 117 14.118 2.247 -6.252 1.00 0.63 H new ATOM 0 HA THR A 117 16.158 3.971 -4.869 1.00 0.68 H new ATOM 0 HB THR A 117 14.820 3.470 -2.780 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.456 1.968 -4.631 1.00 0.85 H new ATOM 0 HG21 THR A 117 13.043 5.118 -3.267 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.597 5.627 -3.968 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.338 4.924 -5.011 1.00 0.91 H new ATOM 1007 N GLN A 118 15.404 0.964 -3.813 1.00 0.73 N ATOM 1008 CA GLN A 118 16.019 -0.334 -3.411 1.00 0.83 C ATOM 1009 C GLN A 118 16.036 -1.278 -4.618 1.00 0.72 C ATOM 1010 O GLN A 118 16.556 -2.372 -4.561 1.00 0.91 O ATOM 1011 CB GLN A 118 15.190 -0.940 -2.266 1.00 1.06 C ATOM 1012 CG GLN A 118 16.022 -1.944 -1.447 1.00 1.48 C ATOM 1013 CD GLN A 118 16.135 -3.286 -2.182 1.00 2.12 C ATOM 1014 OE1 GLN A 118 17.082 -4.020 -1.976 1.00 2.89 O ATOM 1015 NE2 GLN A 118 15.209 -3.650 -3.032 1.00 2.13 N ATOM 0 H GLN A 118 14.425 1.078 -3.551 1.00 0.73 H new ATOM 0 HA GLN A 118 17.043 -0.182 -3.070 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.830 -0.144 -1.614 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.311 -1.439 -2.674 1.00 1.06 H new ATOM 0 HG2 GLN A 118 17.017 -1.538 -1.268 1.00 1.48 H new ATOM 0 HG3 GLN A 118 15.560 -2.096 -0.472 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.412 -3.039 -3.210 1.00 2.13 H new ATOM 0 HE22 GLN A 118 15.285 -4.544 -3.517 1.00 2.13 H new ATOM 1024 N GLY A 119 15.491 -0.846 -5.720 1.00 0.86 N ATOM 1025 CA GLY A 119 15.494 -1.694 -6.945 1.00 0.85 C ATOM 1026 C GLY A 119 14.634 -2.949 -6.762 1.00 0.65 C ATOM 1027 O GLY A 119 14.864 -3.952 -7.408 1.00 0.67 O ATOM 0 H GLY A 119 15.041 0.063 -5.826 1.00 0.86 H new ATOM 0 HA2 GLY A 119 15.120 -1.116 -7.790 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.517 -1.984 -7.185 1.00 0.85 H new ATOM 1031 N TYR A 120 13.637 -2.920 -5.918 1.00 0.54 N ATOM 1032 CA TYR A 120 12.792 -4.139 -5.770 1.00 0.44 C ATOM 1033 C TYR A 120 11.951 -4.279 -7.042 1.00 0.49 C ATOM 1034 O TYR A 120 11.766 -3.327 -7.773 1.00 0.70 O ATOM 1035 CB TYR A 120 11.849 -4.007 -4.561 1.00 0.48 C ATOM 1036 CG TYR A 120 12.569 -4.349 -3.267 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.125 -5.623 -3.078 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.662 -3.393 -2.246 1.00 0.60 C ATOM 1039 CE1 TYR A 120 13.776 -5.932 -1.876 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.312 -3.705 -1.048 1.00 0.71 C ATOM 1041 CZ TYR A 120 13.870 -4.973 -0.862 1.00 0.75 C ATOM 1042 OH TYR A 120 14.510 -5.280 0.321 1.00 0.91 O ATOM 0 H TYR A 120 13.375 -2.124 -5.337 1.00 0.54 H new ATOM 0 HA TYR A 120 13.430 -5.009 -5.615 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.461 -2.990 -4.507 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.992 -4.668 -4.690 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.051 -6.366 -3.859 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.230 -2.413 -2.385 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.206 -6.912 -1.732 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.383 -2.965 -0.265 1.00 0.71 H new ATOM 0 HH TYR A 120 14.487 -4.502 0.917 1.00 0.91 H new ATOM 1052 N PHE A 121 11.439 -5.454 -7.308 1.00 0.48 N ATOM 1053 CA PHE A 121 10.601 -5.664 -8.532 1.00 0.57 C ATOM 1054 C PHE A 121 9.138 -5.875 -8.095 1.00 0.55 C ATOM 1055 O PHE A 121 8.761 -6.970 -7.728 1.00 0.59 O ATOM 1056 CB PHE A 121 11.103 -6.916 -9.273 1.00 0.68 C ATOM 1057 CG PHE A 121 10.688 -6.853 -10.726 1.00 1.42 C ATOM 1058 CD1 PHE A 121 9.428 -7.319 -11.118 1.00 2.33 C ATOM 1059 CD2 PHE A 121 11.566 -6.321 -11.680 1.00 2.32 C ATOM 1060 CE1 PHE A 121 9.045 -7.255 -12.463 1.00 3.43 C ATOM 1061 CE2 PHE A 121 11.183 -6.257 -13.025 1.00 3.44 C ATOM 1062 CZ PHE A 121 9.922 -6.723 -13.417 1.00 3.85 C ATOM 0 H PHE A 121 11.565 -6.283 -6.727 1.00 0.48 H new ATOM 0 HA PHE A 121 10.669 -4.800 -9.192 1.00 0.57 H new ATOM 0 HB2 PHE A 121 12.188 -6.983 -9.198 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.695 -7.813 -8.807 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.751 -7.728 -10.383 1.00 2.33 H new ATOM 0 HD2 PHE A 121 12.538 -5.960 -11.378 1.00 2.32 H new ATOM 0 HE1 PHE A 121 8.073 -7.616 -12.765 1.00 3.43 H new ATOM 0 HE2 PHE A 121 11.860 -5.848 -13.760 1.00 3.44 H new ATOM 0 HZ PHE A 121 9.626 -6.672 -14.454 1.00 3.85 H new ATOM 1072 N PRO A 122 8.316 -4.846 -8.112 1.00 0.64 N ATOM 1073 CA PRO A 122 6.891 -4.964 -7.687 1.00 0.67 C ATOM 1074 C PRO A 122 6.212 -6.230 -8.217 1.00 0.73 C ATOM 1075 O PRO A 122 5.689 -6.264 -9.314 1.00 1.19 O ATOM 1076 CB PRO A 122 6.243 -3.705 -8.267 1.00 0.80 C ATOM 1077 CG PRO A 122 7.337 -2.690 -8.259 1.00 1.05 C ATOM 1078 CD PRO A 122 8.633 -3.465 -8.533 1.00 0.87 C ATOM 0 HA PRO A 122 6.796 -5.045 -6.604 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.869 -3.879 -9.276 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.395 -3.380 -7.664 1.00 0.80 H new ATOM 0 HG2 PRO A 122 7.169 -1.929 -9.021 1.00 1.05 H new ATOM 0 HG3 PRO A 122 7.385 -2.175 -7.299 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.909 -3.422 -9.586 1.00 0.87 H new ATOM 0 HD3 PRO A 122 9.470 -3.057 -7.967 1.00 0.87 H new ATOM 1086 N ASP A 123 6.211 -7.265 -7.426 1.00 0.56 N ATOM 1087 CA ASP A 123 5.564 -8.542 -7.837 1.00 0.64 C ATOM 1088 C ASP A 123 5.149 -9.287 -6.571 1.00 0.58 C ATOM 1089 O ASP A 123 4.903 -10.478 -6.584 1.00 0.65 O ATOM 1090 CB ASP A 123 6.559 -9.392 -8.634 1.00 0.74 C ATOM 1091 CG ASP A 123 7.898 -9.440 -7.894 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.891 -9.278 -6.685 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.907 -9.637 -8.550 1.00 1.38 O ATOM 0 H ASP A 123 6.637 -7.281 -6.499 1.00 0.56 H new ATOM 0 HA ASP A 123 4.695 -8.343 -8.464 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.168 -10.401 -8.766 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.697 -8.971 -9.630 1.00 0.74 H new ATOM 1098 N TRP A 124 5.080 -8.579 -5.471 1.00 0.53 N ATOM 1099 CA TRP A 124 4.694 -9.201 -4.168 1.00 0.52 C ATOM 1100 C TRP A 124 3.342 -8.656 -3.734 1.00 0.51 C ATOM 1101 O TRP A 124 2.601 -9.284 -3.003 1.00 0.55 O ATOM 1102 CB TRP A 124 5.743 -8.829 -3.122 1.00 0.49 C ATOM 1103 CG TRP A 124 6.005 -7.358 -3.205 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.862 -6.766 -4.071 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.411 -6.283 -2.419 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.833 -5.399 -3.863 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.956 -5.052 -2.855 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.464 -6.258 -1.378 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.574 -3.840 -2.281 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.077 -5.038 -0.799 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.632 -3.832 -1.249 1.00 0.55 C ATOM 0 H TRP A 124 5.278 -7.580 -5.421 1.00 0.53 H new ATOM 0 HA TRP A 124 4.634 -10.284 -4.273 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.392 -9.094 -2.125 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.663 -9.387 -3.295 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.468 -7.278 -4.804 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.392 -4.728 -4.391 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.032 -7.182 -1.022 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.004 -2.913 -2.632 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.348 -5.029 -0.003 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.332 -2.898 -0.798 1.00 0.55 H new ATOM 1122 N GLN A 125 3.026 -7.487 -4.181 1.00 0.53 N ATOM 1123 CA GLN A 125 1.724 -6.866 -3.809 1.00 0.60 C ATOM 1124 C GLN A 125 0.595 -7.523 -4.606 1.00 0.66 C ATOM 1125 O GLN A 125 0.590 -7.522 -5.820 1.00 0.84 O ATOM 1126 CB GLN A 125 1.774 -5.352 -4.079 1.00 0.69 C ATOM 1127 CG GLN A 125 1.702 -5.057 -5.586 1.00 1.56 C ATOM 1128 CD GLN A 125 2.665 -5.969 -6.351 1.00 2.18 C ATOM 1129 OE1 GLN A 125 3.819 -6.094 -5.991 1.00 2.78 O ATOM 1130 NE2 GLN A 125 2.239 -6.611 -7.405 1.00 2.82 N ATOM 0 H GLN A 125 3.614 -6.923 -4.795 1.00 0.53 H new ATOM 0 HA GLN A 125 1.535 -7.021 -2.747 1.00 0.60 H new ATOM 0 HB2 GLN A 125 0.945 -4.861 -3.569 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.693 -4.936 -3.667 1.00 0.69 H new ATOM 0 HG2 GLN A 125 0.684 -5.208 -5.945 1.00 1.56 H new ATOM 0 HG3 GLN A 125 1.954 -4.013 -5.772 1.00 1.56 H new ATOM 0 HE21 GLN A 125 1.271 -6.507 -7.709 1.00 2.82 H new ATOM 0 HE22 GLN A 125 2.874 -7.216 -7.925 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.358 -8.097 -3.924 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.490 -8.764 -4.626 1.00 0.72 C ATOM 1141 C ASN A 126 -2.660 -8.917 -3.654 1.00 0.69 C ATOM 1142 O ASN A 126 -2.879 -9.971 -3.095 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.045 -10.146 -5.113 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.126 -9.990 -6.326 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.578 -9.679 -7.409 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.156 -10.193 -6.189 1.00 0.88 N ATOM 0 H ASN A 126 -0.401 -8.133 -2.906 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.799 -8.163 -5.481 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.524 -10.674 -4.314 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.915 -10.747 -5.378 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.777 -10.090 -6.991 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.537 -10.454 -5.279 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.404 -7.872 -3.436 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.551 -7.964 -2.488 1.00 0.61 C ATOM 1155 C TYR A 127 -5.643 -8.864 -3.068 1.00 0.63 C ATOM 1156 O TYR A 127 -5.581 -9.284 -4.206 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.121 -6.563 -2.241 1.00 0.65 C ATOM 1158 CG TYR A 127 -3.993 -5.569 -2.098 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.487 -4.921 -3.232 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.457 -5.288 -0.836 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.445 -3.996 -3.104 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.413 -4.361 -0.708 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.908 -3.716 -1.842 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.882 -2.803 -1.717 1.00 1.48 O ATOM 0 H TYR A 127 -3.270 -6.959 -3.871 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.202 -8.391 -1.548 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.770 -6.274 -3.067 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.734 -6.564 -1.340 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.901 -5.136 -4.206 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -3.848 -5.785 0.039 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.055 -3.498 -3.979 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -1.999 -4.145 0.266 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.787 -2.545 -0.776 1.00 1.48 H new ATOM 1174 N THR A 128 -6.651 -9.150 -2.290 1.00 0.62 N ATOM 1175 CA THR A 128 -7.762 -10.010 -2.789 1.00 0.68 C ATOM 1176 C THR A 128 -8.323 -9.375 -4.071 1.00 0.75 C ATOM 1177 O THR A 128 -8.135 -8.202 -4.300 1.00 0.97 O ATOM 1178 CB THR A 128 -8.855 -10.073 -1.700 1.00 0.86 C ATOM 1179 OG1 THR A 128 -8.813 -8.878 -0.934 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.610 -11.270 -0.776 1.00 0.90 C ATOM 0 H THR A 128 -6.753 -8.825 -1.329 1.00 0.62 H new ATOM 0 HA THR A 128 -7.414 -11.019 -3.008 1.00 0.68 H new ATOM 0 HB THR A 128 -9.830 -10.183 -2.175 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.505 -8.909 -0.241 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.387 -11.305 -0.012 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.633 -12.191 -1.359 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.636 -11.168 -0.299 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.885 -5.262 1.148 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.706 -5.734 0.364 1.00 0.49 C ATOM 1251 C ARG A 134 -7.617 -6.228 1.332 1.00 0.40 C ATOM 1252 O ARG A 134 -6.795 -5.465 1.808 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.174 -4.571 -0.513 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.368 -4.891 -2.007 1.00 1.06 C ATOM 1255 CD ARG A 134 -7.774 -3.770 -2.871 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.796 -2.703 -3.066 1.00 1.86 N ATOM 1257 CZ ARG A 134 -8.438 -1.528 -3.506 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -7.183 -1.279 -3.758 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -9.339 -0.602 -3.693 1.00 3.36 N ATOM 0 HA ARG A 134 -8.995 -6.559 -0.288 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.698 -3.649 -0.261 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.117 -4.404 -0.305 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -7.888 -5.839 -2.249 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.429 -5.006 -2.227 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -6.887 -3.356 -2.391 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -7.458 -4.167 -3.836 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.776 -2.891 -2.855 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -6.480 -2.003 -3.611 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -6.904 -0.360 -4.102 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -10.320 -0.798 -3.495 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -9.062 0.317 -4.037 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.618 -7.507 1.619 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.600 -8.083 2.548 1.00 0.39 C ATOM 1275 C TYR A 135 -5.348 -8.527 1.756 1.00 0.36 C ATOM 1276 O TYR A 135 -5.438 -9.418 0.931 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.188 -9.319 3.239 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.558 -9.006 3.793 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.673 -9.015 2.946 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.716 -8.718 5.155 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.944 -8.737 3.460 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.988 -8.437 5.669 1.00 0.85 C ATOM 1283 CZ TYR A 135 -11.103 -8.446 4.821 1.00 0.92 C ATOM 1284 OH TYR A 135 -12.358 -8.170 5.327 1.00 1.17 O ATOM 0 H TYR A 135 -8.287 -8.181 1.246 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.326 -7.324 3.281 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.255 -10.144 2.530 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.528 -9.643 4.044 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.552 -9.237 1.896 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.856 -8.713 5.809 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.804 -8.747 2.807 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -10.109 -8.213 6.719 1.00 0.85 H new ATOM 0 HH TYR A 135 -12.291 -7.991 6.288 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.186 -7.948 2.003 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.930 -8.362 1.301 1.00 0.38 C ATOM 1296 C PRO A 136 -2.733 -9.883 1.337 1.00 0.37 C ATOM 1297 O PRO A 136 -2.539 -10.458 2.390 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.818 -7.665 2.101 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.469 -6.463 2.704 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.934 -6.842 2.946 1.00 0.44 C ATOM 0 HA PRO A 136 -2.944 -8.090 0.246 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.414 -8.323 2.871 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -0.986 -7.381 1.456 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.981 -6.184 3.638 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.395 -5.605 2.036 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.099 -7.154 3.977 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.599 -5.999 2.757 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.771 -10.547 0.214 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.573 -12.024 0.244 1.00 0.43 C ATOM 1310 C LEU A 137 -1.180 -12.321 0.804 1.00 0.41 C ATOM 1311 O LEU A 137 -0.994 -13.249 1.567 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.695 -12.620 -1.167 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.066 -12.285 -1.777 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.050 -12.592 -3.280 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.168 -13.130 -1.126 1.00 0.92 C ATOM 0 H LEU A 137 -2.928 -10.140 -0.708 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.341 -12.474 0.874 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.902 -12.228 -1.803 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.564 -13.701 -1.124 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.266 -11.228 -1.604 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.023 -12.354 -3.710 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.281 -11.991 -3.766 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.835 -13.649 -3.433 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.131 -12.878 -1.571 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.959 -14.187 -1.288 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.199 -12.926 -0.056 1.00 0.92 H new ATOM 1327 N THR A 138 -0.202 -11.536 0.442 1.00 0.50 N ATOM 1328 CA THR A 138 1.172 -11.773 0.969 1.00 0.55 C ATOM 1329 C THR A 138 1.177 -11.510 2.476 1.00 0.47 C ATOM 1330 O THR A 138 0.388 -10.740 2.987 1.00 0.50 O ATOM 1331 CB THR A 138 2.173 -10.833 0.270 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.525 -9.608 -0.045 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.690 -11.480 -1.019 1.00 1.04 C ATOM 0 H THR A 138 -0.294 -10.744 -0.194 1.00 0.50 H new ATOM 0 HA THR A 138 1.467 -12.804 0.774 1.00 0.55 H new ATOM 0 HB THR A 138 3.014 -10.646 0.937 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.754 -9.343 -0.960 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.397 -10.808 -1.505 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.188 -12.419 -0.780 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.853 -11.674 -1.690 1.00 1.04 H new ATOM 1341 N PHE A 139 2.063 -12.150 3.188 1.00 0.51 N ATOM 1342 CA PHE A 139 2.135 -11.956 4.668 1.00 0.49 C ATOM 1343 C PHE A 139 3.242 -10.953 5.009 1.00 0.65 C ATOM 1344 O PHE A 139 4.181 -10.768 4.261 1.00 1.43 O ATOM 1345 CB PHE A 139 2.450 -13.299 5.331 1.00 0.52 C ATOM 1346 CG PHE A 139 2.435 -13.140 6.834 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.238 -12.831 7.490 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.615 -13.305 7.574 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.219 -12.685 8.881 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.595 -13.160 8.965 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.397 -12.850 9.619 1.00 0.66 C ATOM 0 H PHE A 139 2.746 -12.804 2.807 1.00 0.51 H new ATOM 0 HA PHE A 139 1.181 -11.574 5.031 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.717 -14.046 5.027 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.426 -13.658 5.003 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.328 -12.705 6.922 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.539 -13.544 7.069 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.295 -12.445 9.386 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.504 -13.287 9.534 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.381 -12.738 10.693 1.00 0.66 H new ATOM 1361 N GLY A 140 3.140 -10.311 6.142 1.00 0.46 N ATOM 1362 CA GLY A 140 4.186 -9.327 6.554 1.00 0.43 C ATOM 1363 C GLY A 140 3.762 -7.911 6.159 1.00 0.35 C ATOM 1364 O GLY A 140 4.032 -6.956 6.860 1.00 0.32 O ATOM 0 H GLY A 140 2.373 -10.426 6.804 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.342 -9.381 7.631 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.136 -9.575 6.081 1.00 0.43 H new ATOM 1368 N TRP A 141 3.101 -7.764 5.047 1.00 0.34 N ATOM 1369 CA TRP A 141 2.663 -6.401 4.621 1.00 0.29 C ATOM 1370 C TRP A 141 1.488 -5.980 5.498 1.00 0.32 C ATOM 1371 O TRP A 141 0.355 -6.355 5.273 1.00 0.40 O ATOM 1372 CB TRP A 141 2.268 -6.443 3.139 1.00 0.33 C ATOM 1373 CG TRP A 141 2.057 -5.064 2.572 1.00 0.31 C ATOM 1374 CD1 TRP A 141 0.952 -4.695 1.881 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.933 -3.883 2.595 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.084 -3.381 1.481 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.279 -2.834 1.895 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.209 -3.607 3.144 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.861 -1.573 1.743 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.793 -2.337 2.988 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.121 -1.323 2.290 1.00 0.33 C ATOM 0 H TRP A 141 2.844 -8.522 4.415 1.00 0.34 H new ATOM 0 HA TRP A 141 3.467 -5.674 4.737 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.046 -6.953 2.571 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.354 -7.026 3.024 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.102 -5.329 1.676 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.381 -2.875 0.943 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.737 -4.377 3.686 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.339 -0.796 1.205 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.768 -2.141 3.410 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.577 -0.351 2.176 1.00 0.33 H new ATOM 1392 N CYS A 142 1.773 -5.231 6.529 1.00 0.31 N ATOM 1393 CA CYS A 142 0.711 -4.805 7.476 1.00 0.40 C ATOM 1394 C CYS A 142 -0.079 -3.612 6.946 1.00 0.39 C ATOM 1395 O CYS A 142 -0.334 -2.667 7.665 1.00 0.48 O ATOM 1396 CB CYS A 142 1.366 -4.430 8.794 1.00 0.47 C ATOM 1397 SG CYS A 142 2.185 -2.821 8.643 1.00 1.45 S ATOM 0 H CYS A 142 2.709 -4.894 6.755 1.00 0.31 H new ATOM 0 HA CYS A 142 0.012 -5.631 7.606 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.616 -4.393 9.585 1.00 0.47 H new ATOM 0 HB3 CYS A 142 2.092 -5.192 9.078 1.00 0.47 H new ATOM 0 HG CYS A 142 1.356 -1.958 8.136 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.478 -3.651 5.708 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.273 -2.521 5.126 1.00 0.40 C ATOM 1405 C TYR A 143 -2.597 -3.079 4.590 1.00 0.43 C ATOM 1406 O TYR A 143 -2.666 -3.607 3.498 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.462 -1.872 3.992 1.00 0.55 C ATOM 1408 CG TYR A 143 0.401 -0.756 4.548 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.199 0.423 4.993 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.795 -0.898 4.609 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.587 1.464 5.501 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.583 0.144 5.115 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.979 1.326 5.560 1.00 3.52 C ATOM 1414 OH TYR A 143 2.754 2.353 6.058 1.00 4.57 O ATOM 0 H TYR A 143 -0.290 -4.420 5.065 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.484 -1.767 5.884 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.164 -2.620 3.507 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.135 -1.478 3.231 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.272 0.532 4.945 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.261 -1.810 4.266 1.00 2.17 H new ATOM 0 HE1 TYR A 143 0.120 2.374 5.848 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.657 0.035 5.162 1.00 3.14 H new ATOM 0 HH TYR A 143 3.699 2.093 6.029 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.648 -2.972 5.367 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.979 -3.501 4.930 1.00 0.51 C ATOM 1426 C LYS A 144 -5.853 -2.363 4.401 1.00 0.43 C ATOM 1427 O LYS A 144 -6.231 -1.471 5.134 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.681 -4.149 6.126 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.011 -5.486 6.455 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.440 -5.946 7.853 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.968 -6.016 7.928 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.369 -6.831 9.110 1.00 2.32 N ATOM 0 H LYS A 144 -3.641 -2.539 6.290 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.825 -4.235 4.139 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.635 -3.486 6.990 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.736 -4.306 5.900 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.288 -6.235 5.714 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -3.927 -5.381 6.412 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.011 -6.924 8.072 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.061 -5.255 8.606 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.386 -5.012 8.006 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -7.368 -6.458 7.015 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -8.407 -6.880 9.162 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.982 -7.792 9.017 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -6.999 -6.391 9.977 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.202 -2.394 3.142 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.078 -1.317 2.600 1.00 0.37 C ATOM 1448 C LEU A 145 -8.516 -1.596 3.047 1.00 0.38 C ATOM 1449 O LEU A 145 -8.944 -2.736 3.090 1.00 0.41 O ATOM 1450 CB LEU A 145 -6.995 -1.294 1.066 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.649 -0.681 0.613 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.267 -1.230 -0.768 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.762 0.854 0.531 1.00 0.52 C ATOM 0 H LEU A 145 -5.922 -3.111 2.473 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.754 -0.346 2.974 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.092 -2.306 0.674 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.823 -0.714 0.658 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.883 -0.948 1.341 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.318 -0.795 -1.083 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.169 -2.314 -0.714 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.042 -0.971 -1.490 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.808 1.273 0.211 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.536 1.124 -0.188 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.022 1.253 1.512 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.261 -0.575 3.390 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.668 -0.786 3.859 1.00 0.50 C ATOM 1467 C VAL A 146 -11.492 0.490 3.578 1.00 0.59 C ATOM 1468 O VAL A 146 -11.028 1.585 3.835 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.668 -1.006 5.383 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.069 -1.411 5.843 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.676 -2.104 5.780 1.00 0.56 C ATOM 0 H VAL A 146 -8.956 0.398 3.366 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.092 -1.647 3.342 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.369 -0.073 5.861 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.067 -1.566 6.922 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.777 -0.621 5.591 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.363 -2.334 5.344 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.696 -2.239 6.861 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -9.953 -3.039 5.292 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.672 -1.817 5.469 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.710 0.370 3.072 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.575 1.555 2.797 1.00 0.81 C ATOM 1483 C PRO A 147 -14.340 2.008 4.046 1.00 0.91 C ATOM 1484 O PRO A 147 -15.426 1.539 4.325 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.546 1.029 1.745 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.749 -0.401 2.125 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.403 -0.883 2.690 1.00 0.75 C ATOM 0 HA PRO A 147 -13.001 2.425 2.478 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.485 1.582 1.756 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.134 1.121 0.740 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.541 -0.499 2.867 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.046 -0.996 1.261 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.542 -1.541 3.548 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.835 -1.444 1.947 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.550 3.954 -1.140 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.979 3.038 -0.087 1.00 0.52 C ATOM 1782 C LEU A 181 -8.854 3.748 0.679 1.00 0.47 C ATOM 1783 O LEU A 181 -8.141 4.567 0.138 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.408 1.771 -0.763 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.466 0.649 -0.864 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.832 0.115 0.534 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.728 1.162 -1.570 1.00 0.87 C ATOM 0 HA LEU A 181 -10.771 2.764 0.610 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -9.048 2.022 -1.761 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -8.550 1.411 -0.195 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.038 -0.165 -1.449 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.578 -0.674 0.438 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.940 -0.286 1.015 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -11.237 0.926 1.139 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.462 0.359 -1.632 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -12.148 1.994 -1.005 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -11.472 1.498 -2.575 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.690 3.412 1.936 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.605 4.025 2.775 1.00 0.45 C ATOM 1801 C GLU A 182 -6.657 2.944 3.298 1.00 0.42 C ATOM 1802 O GLU A 182 -7.058 1.856 3.655 1.00 0.43 O ATOM 1803 CB GLU A 182 -8.222 4.787 3.962 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.474 4.060 4.453 1.00 0.56 C ATOM 1805 CD GLU A 182 -10.027 4.785 5.681 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.515 4.550 6.764 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -10.952 5.563 5.519 1.00 1.62 O ATOM 0 H GLU A 182 -9.269 2.730 2.425 1.00 0.45 H new ATOM 0 HA GLU A 182 -7.040 4.720 2.153 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.496 4.866 4.771 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.476 5.803 3.661 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -10.225 4.031 3.664 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -9.234 3.026 4.703 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.391 3.266 3.349 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.372 2.303 3.849 1.00 0.38 C ATOM 1816 C TRP A 183 -4.471 2.212 5.377 1.00 0.37 C ATOM 1817 O TRP A 183 -4.215 3.170 6.080 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.976 2.820 3.455 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.620 2.377 2.068 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.412 1.096 1.686 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.413 3.196 0.882 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.090 1.080 0.339 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.079 2.351 -0.200 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.485 4.578 0.647 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.820 2.861 -1.475 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.228 5.097 -0.632 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.895 4.239 -1.691 1.00 0.41 C ATOM 0 H TRP A 183 -5.017 4.170 3.060 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.540 1.317 3.417 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.956 3.908 3.511 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.233 2.451 4.162 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.485 0.229 2.326 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.886 0.232 -0.190 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.740 5.247 1.456 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.564 2.196 -2.286 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.287 6.162 -0.802 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.697 4.644 -2.672 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.832 1.067 5.899 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.940 0.912 7.385 1.00 0.35 C ATOM 1840 C ARG A 184 -3.675 0.238 7.922 1.00 0.31 C ATOM 1841 O ARG A 184 -3.532 -0.967 7.869 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.155 0.042 7.715 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.433 0.091 9.224 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.469 -0.988 9.615 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.484 -0.406 10.552 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.125 0.312 11.585 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -6.865 0.450 11.889 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -9.036 0.867 12.336 1.00 2.61 N ATOM 0 H ARG A 184 -5.057 0.230 5.361 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.053 1.893 7.846 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -7.027 0.394 7.163 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.974 -0.986 7.402 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.507 -0.068 9.776 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.804 1.078 9.500 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -7.963 -1.370 8.722 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -6.967 -1.832 10.088 1.00 1.51 H new ATOM 0 HE ARG A 184 -9.475 -0.573 10.381 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -6.150 -0.004 11.320 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -6.594 1.012 12.696 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -10.024 0.740 12.117 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -8.760 1.428 13.142 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.756 1.008 8.437 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.496 0.409 8.977 1.00 0.31 C ATOM 1864 C PHE A 185 -1.798 -0.382 10.255 1.00 0.31 C ATOM 1865 O PHE A 185 -2.478 0.090 11.144 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.501 1.524 9.294 1.00 0.40 C ATOM 1867 CG PHE A 185 0.734 0.952 9.949 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.769 0.760 11.336 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.852 0.622 9.170 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.918 0.240 11.941 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.000 0.106 9.777 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.034 -0.086 11.161 1.00 0.71 C ATOM 0 H PHE A 185 -2.820 2.023 8.509 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.071 -0.264 8.232 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.226 2.047 8.378 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.964 2.258 9.954 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.091 1.013 11.938 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.826 0.767 8.100 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.944 0.090 13.010 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.862 -0.145 9.176 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.921 -0.486 11.629 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.298 -1.586 10.348 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.552 -2.418 11.554 1.00 0.32 C ATOM 1884 C ASP A 186 -0.427 -3.451 11.702 1.00 0.30 C ATOM 1885 O ASP A 186 -0.633 -4.631 11.499 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.888 -3.129 11.359 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.431 -3.606 12.709 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.341 -2.849 13.661 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -3.928 -4.719 12.766 1.00 1.16 O ATOM 0 H ASP A 186 -0.721 -2.029 9.633 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.582 -1.800 12.452 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.603 -2.454 10.888 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.762 -3.979 10.688 1.00 0.37 H new ATOM 1894 N SER A 187 0.762 -3.012 12.035 1.00 0.33 N ATOM 1895 CA SER A 187 1.918 -3.957 12.180 1.00 0.34 C ATOM 1896 C SER A 187 1.502 -5.197 12.986 1.00 0.35 C ATOM 1897 O SER A 187 2.234 -6.164 13.061 1.00 0.37 O ATOM 1898 CB SER A 187 3.072 -3.241 12.896 1.00 0.40 C ATOM 1899 OG SER A 187 2.541 -2.335 13.854 1.00 1.32 O ATOM 0 H SER A 187 0.985 -2.033 12.214 1.00 0.33 H new ATOM 0 HA SER A 187 2.239 -4.277 11.189 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.718 -3.969 13.386 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.687 -2.705 12.173 1.00 0.40 H new ATOM 0 HG SER A 187 2.465 -1.444 13.454 1.00 1.32 H new ATOM 1905 N ARG A 188 0.345 -5.186 13.588 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.085 -6.374 14.376 1.00 0.46 C ATOM 1907 C ARG A 188 -0.189 -7.575 13.435 1.00 0.42 C ATOM 1908 O ARG A 188 -0.023 -8.711 13.833 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.450 -6.098 15.010 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.314 -4.977 16.046 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.560 -4.946 16.932 1.00 1.75 C ATOM 1912 NE ARG A 188 -2.712 -6.260 17.619 1.00 2.37 N ATOM 1913 CZ ARG A 188 -3.509 -6.370 18.646 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -4.171 -5.329 19.073 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -3.645 -7.520 19.245 1.00 3.87 N ATOM 0 H ARG A 188 -0.318 -4.411 13.569 1.00 0.40 H new ATOM 0 HA ARG A 188 0.639 -6.582 15.164 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.169 -5.813 14.242 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.832 -7.002 15.484 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -0.425 -5.137 16.656 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.188 -4.017 15.545 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -2.477 -4.146 17.668 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.443 -4.734 16.329 1.00 1.75 H new ATOM 0 HE ARG A 188 -2.193 -7.073 17.286 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.065 -4.430 18.604 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -4.794 -5.415 19.876 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -3.128 -8.333 18.911 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -4.268 -7.606 20.048 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.442 -7.323 12.181 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.538 -8.431 11.191 1.00 0.46 C ATOM 1931 C LEU A 189 0.829 -9.124 11.111 1.00 0.41 C ATOM 1932 O LEU A 189 1.021 -10.067 10.369 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.929 -7.839 9.816 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.915 -8.763 9.090 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.329 -8.124 7.763 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -1.248 -10.110 8.816 1.00 1.78 C ATOM 0 H LEU A 189 -0.587 -6.389 11.797 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.294 -9.158 11.488 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.378 -6.855 9.952 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.036 -7.701 9.207 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.796 -8.914 9.714 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -3.030 -8.780 7.246 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.806 -7.163 7.955 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -1.447 -7.973 7.141 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -1.950 -10.765 8.300 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -0.367 -9.959 8.192 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -0.951 -10.568 9.760 1.00 1.78 H new ATOM 1948 N ALA A 190 1.782 -8.654 11.873 1.00 0.37 N ATOM 1949 CA ALA A 190 3.135 -9.271 11.845 1.00 0.42 C ATOM 1950 C ALA A 190 3.096 -10.607 12.585 1.00 0.44 C ATOM 1951 O ALA A 190 4.058 -11.351 12.588 1.00 0.53 O ATOM 1952 CB ALA A 190 4.131 -8.337 12.538 1.00 0.47 C ATOM 0 H ALA A 190 1.678 -7.867 12.514 1.00 0.37 H new ATOM 0 HA ALA A 190 3.443 -9.433 10.812 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.124 -8.786 12.520 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.156 -7.380 12.017 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.823 -8.179 13.572 1.00 0.47 H new ATOM 1958 N PHE A 191 1.988 -10.922 13.211 1.00 0.42 N ATOM 1959 CA PHE A 191 1.880 -12.222 13.951 1.00 0.51 C ATOM 1960 C PHE A 191 0.498 -12.839 13.712 1.00 0.56 C ATOM 1961 O PHE A 191 0.348 -14.043 13.662 1.00 0.96 O ATOM 1962 CB PHE A 191 2.098 -11.985 15.452 1.00 0.58 C ATOM 1963 CG PHE A 191 0.915 -11.254 16.044 1.00 1.14 C ATOM 1964 CD1 PHE A 191 -0.183 -11.977 16.525 1.00 1.98 C ATOM 1965 CD2 PHE A 191 0.921 -9.857 16.117 1.00 1.81 C ATOM 1966 CE1 PHE A 191 -1.277 -11.302 17.079 1.00 2.87 C ATOM 1967 CE2 PHE A 191 -0.174 -9.183 16.670 1.00 2.75 C ATOM 1968 CZ PHE A 191 -1.272 -9.905 17.152 1.00 3.15 C ATOM 0 H PHE A 191 1.153 -10.337 13.242 1.00 0.42 H new ATOM 0 HA PHE A 191 2.644 -12.909 13.586 1.00 0.51 H new ATOM 0 HB2 PHE A 191 2.237 -12.939 15.961 1.00 0.58 H new ATOM 0 HB3 PHE A 191 3.008 -11.405 15.607 1.00 0.58 H new ATOM 0 HD1 PHE A 191 -0.186 -13.056 16.469 1.00 1.98 H new ATOM 0 HD2 PHE A 191 1.769 -9.300 15.747 1.00 1.81 H new ATOM 0 HE1 PHE A 191 -2.124 -11.859 17.450 1.00 2.87 H new ATOM 0 HE2 PHE A 191 -0.172 -8.104 16.725 1.00 2.75 H new ATOM 0 HZ PHE A 191 -2.115 -9.384 17.580 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.512 -12.026 13.564 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.877 -12.575 13.325 1.00 0.72 C ATOM 1980 C HIS A 192 -1.959 -13.104 11.891 1.00 0.67 C ATOM 1981 O HIS A 192 -0.960 -13.226 11.211 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.915 -11.466 13.530 1.00 1.01 C ATOM 1983 CG HIS A 192 -4.280 -12.075 13.703 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -5.388 -11.617 13.008 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -4.732 -13.108 14.489 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -6.441 -12.365 13.384 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -6.096 -13.289 14.286 1.00 3.35 N ATOM 0 H HIS A 192 -0.452 -11.008 13.598 1.00 0.64 H new ATOM 0 HA HIS A 192 -2.078 -13.387 14.024 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.658 -10.871 14.406 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.913 -10.790 12.675 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -4.121 -13.691 15.162 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -7.443 -12.235 13.003 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -6.703 -13.979 14.730 1.00 3.35 H new ATOM 1995 N HIS A 193 -3.136 -13.422 11.421 1.00 0.77 N ATOM 1996 CA HIS A 193 -3.261 -13.941 10.028 1.00 0.85 C ATOM 1997 C HIS A 193 -4.740 -14.081 9.661 1.00 0.74 C ATOM 1998 O HIS A 193 -5.300 -15.158 9.700 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.580 -15.308 9.928 1.00 1.28 C ATOM 2000 CG HIS A 193 -3.086 -16.203 11.027 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -4.148 -17.075 10.843 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -2.686 -16.370 12.329 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -4.347 -17.723 12.005 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -3.482 -17.331 12.946 1.00 3.87 N ATOM 0 H HIS A 193 -4.012 -13.345 11.938 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.782 -13.244 9.340 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.784 -15.757 8.956 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -1.499 -15.194 10.006 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -4.681 -17.202 9.983 1.00 2.84 H new ATOM 0 HD2 HIS A 193 -1.876 -15.836 12.803 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -5.112 -18.469 12.159 1.00 3.75 H new ATOM 2012 N MET A 194 -5.377 -12.999 9.303 1.00 0.73 N ATOM 2013 CA MET A 194 -6.820 -13.070 8.933 1.00 0.79 C ATOM 2014 C MET A 194 -6.957 -13.564 7.489 1.00 0.75 C ATOM 2015 O MET A 194 -7.801 -14.381 7.178 1.00 0.90 O ATOM 2016 CB MET A 194 -7.446 -11.674 9.065 1.00 0.91 C ATOM 2017 CG MET A 194 -8.967 -11.796 9.195 1.00 1.47 C ATOM 2018 SD MET A 194 -9.722 -10.164 8.981 1.00 2.35 S ATOM 2019 CE MET A 194 -11.433 -10.649 9.319 1.00 2.94 C ATOM 0 H MET A 194 -4.961 -12.069 9.251 1.00 0.73 H new ATOM 0 HA MET A 194 -7.334 -13.764 9.598 1.00 0.79 H new ATOM 0 HB2 MET A 194 -7.037 -11.163 9.937 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.194 -11.069 8.194 1.00 0.91 H new ATOM 0 HG2 MET A 194 -9.353 -12.488 8.446 1.00 1.47 H new ATOM 0 HG3 MET A 194 -9.228 -12.204 10.171 1.00 1.47 H new ATOM 0 HE1 MET A 194 -12.081 -9.776 9.239 1.00 2.94 H new ATOM 0 HE2 MET A 194 -11.747 -11.402 8.596 1.00 2.94 H new ATOM 0 HE3 MET A 194 -11.502 -11.061 10.326 1.00 2.94 H new ATOM 2029 N ALA A 195 -6.135 -13.069 6.605 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.217 -13.499 5.179 1.00 0.76 C ATOM 2031 C ALA A 195 -6.114 -15.024 5.082 1.00 0.90 C ATOM 2032 O ALA A 195 -6.801 -15.651 4.300 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.069 -12.863 4.391 1.00 0.82 C ATOM 0 H ALA A 195 -5.408 -12.383 6.809 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.173 -13.179 4.765 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.126 -13.176 3.348 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.145 -11.777 4.449 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.117 -13.183 4.814 1.00 0.82 H new