USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 878 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 Single : A 17 GLN : amide:sc= -0.0762 K(o=-0.076,f=-0.89) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.83! C(o=-1.8!,f=-8.2!) USER MOD Single : A 24 GLN : amide:sc= 0.00288 K(o=0.0029,f=-2.9!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.79! K(o=-2.8!,f=-0.77) USER MOD Single : A 34 THR OG1 : rot -20:sc= 1.11 USER MOD Single : A 40 ASN : amide:sc= -0.0886 K(o=-0.089,f=-2.3) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -160:sc= -0.559 USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0414) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.428! C(o=-0.43!,f=-5.9!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0.908 K(o=0.91,f=-7.2!) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 1.08 (180deg=0.977) USER MOD Single : A 69 THR OG1 : rot -75:sc= 1.01 USER MOD Single : A 72 SER OG : rot 80:sc= -0.197 USER MOD Single : A 77 GLN : amide:sc= -2.73! K(o=-2.7!,f=-0.32) USER MOD Single : A 78 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.025) USER MOD Single : A 83 MET CE :methyl -129:sc= -0.601 (180deg=-3.4!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -1.35 K(o=-1.3,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -3.01! C(o=-3!,f=-3!) USER MOD Single : A 113 CYS SG : rot 83:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -5.126 7.873 9.497 1.00 15.32 N ATOM 281 CA GLN A 17 -4.491 6.569 9.613 1.00 33.45 C ATOM 282 C GLN A 17 -3.128 6.597 8.937 1.00 21.52 C ATOM 283 O GLN A 17 -2.233 5.840 9.297 1.00 72.25 O ATOM 284 CB GLN A 17 -5.357 5.457 9.004 1.00 50.13 C ATOM 285 CG GLN A 17 -5.706 5.664 7.536 1.00 32.50 C ATOM 286 CD GLN A 17 -6.918 6.553 7.343 1.00 31.22 C ATOM 287 OE1 GLN A 17 -6.804 7.775 7.252 1.00 53.12 O ATOM 288 NE2 GLN A 17 -8.086 5.941 7.273 1.00 34.53 N ATOM 0 HA GLN A 17 -4.370 6.350 10.674 1.00 33.45 H new ATOM 0 HB2 GLN A 17 -4.834 4.507 9.110 1.00 50.13 H new ATOM 0 HB3 GLN A 17 -6.281 5.378 9.577 1.00 50.13 H new ATOM 0 HG2 GLN A 17 -4.852 6.105 7.022 1.00 32.50 H new ATOM 0 HG3 GLN A 17 -5.893 4.696 7.071 1.00 32.50 H new ATOM 0 HE21 GLN A 17 -8.135 4.925 7.353 1.00 34.53 H new ATOM 0 HE22 GLN A 17 -8.939 6.484 7.139 1.00 34.53 H new ATOM 297 N PHE A 18 -2.973 7.505 7.980 1.00 31.12 N ATOM 298 CA PHE A 18 -1.717 7.654 7.258 1.00 40.34 C ATOM 299 C PHE A 18 -0.604 8.066 8.215 1.00 53.45 C ATOM 300 O PHE A 18 0.550 7.680 8.050 1.00 25.02 O ATOM 301 CB PHE A 18 -1.863 8.694 6.142 1.00 42.31 C ATOM 302 CG PHE A 18 -2.991 8.398 5.193 1.00 51.31 C ATOM 303 CD1 PHE A 18 -2.844 7.447 4.197 1.00 4.33 C ATOM 304 CD2 PHE A 18 -4.196 9.071 5.300 1.00 21.14 C ATOM 305 CE1 PHE A 18 -3.882 7.170 3.325 1.00 73.21 C ATOM 306 CE2 PHE A 18 -5.237 8.800 4.432 1.00 1.50 C ATOM 307 CZ PHE A 18 -5.080 7.849 3.442 1.00 12.10 C ATOM 0 H PHE A 18 -3.706 8.151 7.686 1.00 31.12 H new ATOM 0 HA PHE A 18 -1.459 6.694 6.810 1.00 40.34 H new ATOM 0 HB2 PHE A 18 -2.022 9.675 6.589 1.00 42.31 H new ATOM 0 HB3 PHE A 18 -0.930 8.747 5.581 1.00 42.31 H new ATOM 0 HD1 PHE A 18 -1.909 6.916 4.100 1.00 4.33 H new ATOM 0 HD2 PHE A 18 -4.324 9.817 6.071 1.00 21.14 H new ATOM 0 HE1 PHE A 18 -3.756 6.424 2.554 1.00 73.21 H new ATOM 0 HE2 PHE A 18 -6.172 9.331 4.528 1.00 1.50 H new ATOM 0 HZ PHE A 18 -5.891 7.637 2.761 1.00 12.10 H new ATOM 317 N THR A 19 -0.968 8.839 9.226 1.00 22.50 N ATOM 318 CA THR A 19 -0.019 9.273 10.235 1.00 11.21 C ATOM 319 C THR A 19 0.163 8.184 11.297 1.00 31.23 C ATOM 320 O THR A 19 1.196 8.109 11.963 1.00 2.35 O ATOM 321 CB THR A 19 -0.495 10.585 10.894 1.00 62.11 C ATOM 322 OG1 THR A 19 -0.952 11.492 9.879 1.00 3.24 O ATOM 323 CG2 THR A 19 0.627 11.239 11.691 1.00 72.33 C ATOM 0 H THR A 19 -1.919 9.179 9.368 1.00 22.50 H new ATOM 0 HA THR A 19 0.941 9.455 9.751 1.00 11.21 H new ATOM 0 HB THR A 19 -1.309 10.349 11.579 1.00 62.11 H new ATOM 0 HG1 THR A 19 -1.256 12.325 10.297 1.00 3.24 H new ATOM 0 HG21 THR A 19 0.262 12.161 12.144 1.00 72.33 H new ATOM 0 HG22 THR A 19 0.962 10.558 12.474 1.00 72.33 H new ATOM 0 HG23 THR A 19 1.461 11.466 11.027 1.00 72.33 H new ATOM 331 N PHE A 20 -0.839 7.323 11.426 1.00 13.24 N ATOM 332 CA PHE A 20 -0.804 6.254 12.414 1.00 41.43 C ATOM 333 C PHE A 20 0.051 5.091 11.912 1.00 63.12 C ATOM 334 O PHE A 20 0.757 4.439 12.686 1.00 63.52 O ATOM 335 CB PHE A 20 -2.225 5.777 12.719 1.00 24.22 C ATOM 336 CG PHE A 20 -2.344 4.989 13.994 1.00 63.33 C ATOM 337 CD1 PHE A 20 -2.125 3.619 14.010 1.00 22.24 C ATOM 338 CD2 PHE A 20 -2.675 5.625 15.179 1.00 3.30 C ATOM 339 CE1 PHE A 20 -2.232 2.902 15.186 1.00 40.32 C ATOM 340 CE2 PHE A 20 -2.783 4.911 16.357 1.00 51.11 C ATOM 341 CZ PHE A 20 -2.560 3.550 16.361 1.00 25.22 C ATOM 0 H PHE A 20 -1.686 7.345 10.858 1.00 13.24 H new ATOM 0 HA PHE A 20 -0.357 6.638 13.331 1.00 41.43 H new ATOM 0 HB2 PHE A 20 -2.884 6.643 12.776 1.00 24.22 H new ATOM 0 HB3 PHE A 20 -2.577 5.163 11.890 1.00 24.22 H new ATOM 0 HD1 PHE A 20 -1.868 3.108 13.094 1.00 22.24 H new ATOM 0 HD2 PHE A 20 -2.851 6.691 15.182 1.00 3.30 H new ATOM 0 HE1 PHE A 20 -2.059 1.836 15.187 1.00 40.32 H new ATOM 0 HE2 PHE A 20 -3.042 5.419 17.274 1.00 51.11 H new ATOM 0 HZ PHE A 20 -2.642 2.991 17.282 1.00 25.22 H new ATOM 351 N VAL A 21 -0.012 4.838 10.610 1.00 63.22 N ATOM 352 CA VAL A 21 0.776 3.775 10.001 1.00 2.24 C ATOM 353 C VAL A 21 2.240 4.189 9.890 1.00 32.54 C ATOM 354 O VAL A 21 3.132 3.343 9.874 1.00 22.31 O ATOM 355 CB VAL A 21 0.244 3.381 8.603 1.00 52.23 C ATOM 356 CG1 VAL A 21 -1.222 2.986 8.673 1.00 33.22 C ATOM 357 CG2 VAL A 21 0.453 4.504 7.595 1.00 42.12 C ATOM 0 H VAL A 21 -0.601 5.355 9.956 1.00 63.22 H new ATOM 0 HA VAL A 21 0.689 2.905 10.652 1.00 2.24 H new ATOM 0 HB VAL A 21 0.815 2.517 8.263 1.00 52.23 H new ATOM 0 HG11 VAL A 21 -1.573 2.713 7.678 1.00 33.22 H new ATOM 0 HG12 VAL A 21 -1.338 2.135 9.345 1.00 33.22 H new ATOM 0 HG13 VAL A 21 -1.808 3.826 9.047 1.00 33.22 H new ATOM 0 HG21 VAL A 21 0.069 4.196 6.623 1.00 42.12 H new ATOM 0 HG22 VAL A 21 -0.077 5.396 7.929 1.00 42.12 H new ATOM 0 HG23 VAL A 21 1.517 4.724 7.511 1.00 42.12 H new ATOM 367 N PHE A 22 2.478 5.499 9.843 1.00 61.34 N ATOM 368 CA PHE A 22 3.828 6.046 9.718 1.00 41.11 C ATOM 369 C PHE A 22 4.617 5.821 11.007 1.00 22.54 C ATOM 370 O PHE A 22 5.846 5.908 11.026 1.00 1.41 O ATOM 371 CB PHE A 22 3.752 7.544 9.389 1.00 42.22 C ATOM 372 CG PHE A 22 5.071 8.160 9.005 1.00 40.34 C ATOM 373 CD1 PHE A 22 5.557 8.037 7.712 1.00 1.13 C ATOM 374 CD2 PHE A 22 5.822 8.865 9.933 1.00 43.54 C ATOM 375 CE1 PHE A 22 6.767 8.604 7.354 1.00 42.43 C ATOM 376 CE2 PHE A 22 7.032 9.432 9.579 1.00 14.41 C ATOM 377 CZ PHE A 22 7.503 9.302 8.289 1.00 45.35 C ATOM 0 H PHE A 22 1.745 6.207 9.890 1.00 61.34 H new ATOM 0 HA PHE A 22 4.345 5.532 8.908 1.00 41.11 H new ATOM 0 HB2 PHE A 22 3.045 7.690 8.573 1.00 42.22 H new ATOM 0 HB3 PHE A 22 3.354 8.075 10.254 1.00 42.22 H new ATOM 0 HD1 PHE A 22 4.984 7.492 6.976 1.00 1.13 H new ATOM 0 HD2 PHE A 22 5.458 8.972 10.944 1.00 43.54 H new ATOM 0 HE1 PHE A 22 7.135 8.500 6.344 1.00 42.43 H new ATOM 0 HE2 PHE A 22 7.608 9.977 10.312 1.00 14.41 H new ATOM 0 HZ PHE A 22 8.447 9.746 8.011 1.00 45.35 H new ATOM 387 N GLN A 23 3.895 5.517 12.077 1.00 22.31 N ATOM 388 CA GLN A 23 4.505 5.254 13.375 1.00 45.41 C ATOM 389 C GLN A 23 5.369 3.994 13.338 1.00 62.13 C ATOM 390 O GLN A 23 6.352 3.888 14.072 1.00 72.13 O ATOM 391 CB GLN A 23 3.417 5.124 14.437 1.00 43.40 C ATOM 392 CG GLN A 23 2.704 6.433 14.733 1.00 11.42 C ATOM 393 CD GLN A 23 1.369 6.239 15.427 1.00 41.12 C ATOM 394 OE1 GLN A 23 1.154 5.250 16.126 1.00 55.41 O ATOM 395 NE2 GLN A 23 0.463 7.186 15.238 1.00 22.10 N ATOM 0 H GLN A 23 2.877 5.446 12.072 1.00 22.31 H new ATOM 0 HA GLN A 23 5.155 6.092 13.626 1.00 45.41 H new ATOM 0 HB2 GLN A 23 2.685 4.386 14.108 1.00 43.40 H new ATOM 0 HB3 GLN A 23 3.861 4.744 15.357 1.00 43.40 H new ATOM 0 HG2 GLN A 23 3.344 7.056 15.358 1.00 11.42 H new ATOM 0 HG3 GLN A 23 2.547 6.973 13.800 1.00 11.42 H new ATOM 0 HE21 GLN A 23 0.681 7.991 14.651 1.00 22.10 H new ATOM 0 HE22 GLN A 23 -0.453 7.111 15.680 1.00 22.10 H new ATOM 404 N GLN A 24 5.001 3.053 12.473 1.00 74.54 N ATOM 405 CA GLN A 24 5.755 1.815 12.301 1.00 23.25 C ATOM 406 C GLN A 24 5.240 1.064 11.071 1.00 4.41 C ATOM 407 O GLN A 24 4.468 0.112 11.188 1.00 65.14 O ATOM 408 CB GLN A 24 5.640 0.935 13.552 1.00 22.54 C ATOM 409 CG GLN A 24 6.557 -0.276 13.550 1.00 54.44 C ATOM 410 CD GLN A 24 6.364 -1.149 14.775 1.00 1.25 C ATOM 411 OE1 GLN A 24 5.266 -1.241 15.326 1.00 55.33 O ATOM 412 NE2 GLN A 24 7.435 -1.788 15.219 1.00 75.50 N ATOM 0 H GLN A 24 4.178 3.126 11.875 1.00 74.54 H new ATOM 0 HA GLN A 24 6.807 2.060 12.154 1.00 23.25 H new ATOM 0 HB2 GLN A 24 5.860 1.542 14.430 1.00 22.54 H new ATOM 0 HB3 GLN A 24 4.609 0.595 13.650 1.00 22.54 H new ATOM 0 HG2 GLN A 24 6.372 -0.867 12.653 1.00 54.44 H new ATOM 0 HG3 GLN A 24 7.594 0.057 13.504 1.00 54.44 H new ATOM 0 HE21 GLN A 24 8.327 -1.686 14.735 1.00 75.50 H new ATOM 0 HE22 GLN A 24 7.368 -2.382 16.045 1.00 75.50 H new ATOM 421 N PRO A 25 5.632 1.507 9.872 1.00 73.24 N ATOM 422 CA PRO A 25 5.158 0.928 8.625 1.00 63.43 C ATOM 423 C PRO A 25 6.012 -0.242 8.143 1.00 1.24 C ATOM 424 O PRO A 25 7.240 -0.156 8.094 1.00 41.51 O ATOM 425 CB PRO A 25 5.256 2.104 7.655 1.00 2.33 C ATOM 426 CG PRO A 25 6.380 2.950 8.168 1.00 12.15 C ATOM 427 CD PRO A 25 6.566 2.621 9.633 1.00 4.12 C ATOM 0 HA PRO A 25 4.158 0.505 8.723 1.00 63.43 H new ATOM 0 HB2 PRO A 25 5.455 1.760 6.640 1.00 2.33 H new ATOM 0 HB3 PRO A 25 4.323 2.667 7.624 1.00 2.33 H new ATOM 0 HG2 PRO A 25 7.295 2.750 7.611 1.00 12.15 H new ATOM 0 HG3 PRO A 25 6.153 4.008 8.039 1.00 12.15 H new ATOM 0 HD2 PRO A 25 7.595 2.332 9.849 1.00 4.12 H new ATOM 0 HD3 PRO A 25 6.335 3.478 10.266 1.00 4.12 H new ATOM 435 N GLN A 26 5.357 -1.339 7.792 1.00 70.52 N ATOM 436 CA GLN A 26 6.049 -2.482 7.222 1.00 31.31 C ATOM 437 C GLN A 26 6.224 -2.283 5.722 1.00 2.54 C ATOM 438 O GLN A 26 5.327 -1.790 5.041 1.00 50.11 O ATOM 439 CB GLN A 26 5.303 -3.786 7.527 1.00 55.10 C ATOM 440 CG GLN A 26 3.849 -3.793 7.085 1.00 70.02 C ATOM 441 CD GLN A 26 3.115 -5.038 7.546 1.00 23.21 C ATOM 442 OE1 GLN A 26 3.705 -6.111 7.679 1.00 70.11 O ATOM 443 NE2 GLN A 26 1.823 -4.901 7.804 1.00 64.02 N ATOM 0 H GLN A 26 4.349 -1.460 7.892 1.00 70.52 H new ATOM 0 HA GLN A 26 7.035 -2.560 7.679 1.00 31.31 H new ATOM 0 HB2 GLN A 26 5.823 -4.611 7.039 1.00 55.10 H new ATOM 0 HB3 GLN A 26 5.345 -3.973 8.600 1.00 55.10 H new ATOM 0 HG2 GLN A 26 3.347 -2.910 7.480 1.00 70.02 H new ATOM 0 HG3 GLN A 26 3.801 -3.727 5.998 1.00 70.02 H new ATOM 0 HE21 GLN A 26 1.372 -3.995 7.681 1.00 64.02 H new ATOM 0 HE22 GLN A 26 1.279 -5.702 8.126 1.00 64.02 H new ATOM 452 N ARG A 27 7.391 -2.651 5.220 1.00 35.44 N ATOM 453 CA ARG A 27 7.750 -2.387 3.837 1.00 74.34 C ATOM 454 C ARG A 27 7.472 -3.612 2.971 1.00 34.22 C ATOM 455 O ARG A 27 8.118 -4.649 3.128 1.00 12.54 O ATOM 456 CB ARG A 27 9.237 -2.002 3.764 1.00 64.05 C ATOM 457 CG ARG A 27 9.635 -1.166 2.549 1.00 51.11 C ATOM 458 CD ARG A 27 9.562 -1.948 1.247 1.00 13.13 C ATOM 459 NE ARG A 27 10.357 -3.176 1.289 1.00 62.03 N ATOM 460 CZ ARG A 27 10.796 -3.816 0.205 1.00 5.43 C ATOM 461 NH1 ARG A 27 10.653 -3.275 -0.999 1.00 55.33 N ATOM 462 NH2 ARG A 27 11.422 -4.979 0.333 1.00 71.35 N ATOM 0 H ARG A 27 8.111 -3.137 5.755 1.00 35.44 H new ATOM 0 HA ARG A 27 7.146 -1.562 3.459 1.00 74.34 H new ATOM 0 HB2 ARG A 27 9.497 -1.449 4.666 1.00 64.05 H new ATOM 0 HB3 ARG A 27 9.833 -2.915 3.767 1.00 64.05 H new ATOM 0 HG2 ARG A 27 8.982 -0.296 2.482 1.00 51.11 H new ATOM 0 HG3 ARG A 27 10.650 -0.793 2.687 1.00 51.11 H new ATOM 0 HD2 ARG A 27 8.523 -2.198 1.034 1.00 13.13 H new ATOM 0 HD3 ARG A 27 9.912 -1.319 0.428 1.00 13.13 H new ATOM 0 HE ARG A 27 10.589 -3.566 2.203 1.00 62.03 H new ATOM 0 HH11 ARG A 27 10.205 -2.364 -1.099 1.00 55.33 H new ATOM 0 HH12 ARG A 27 10.991 -3.770 -1.824 1.00 55.33 H new ATOM 0 HH21 ARG A 27 11.566 -5.381 1.259 1.00 71.35 H new ATOM 0 HH22 ARG A 27 11.759 -5.471 -0.495 1.00 71.35 H new ATOM 476 N ALA A 28 6.507 -3.491 2.070 1.00 33.52 N ATOM 477 CA ALA A 28 6.198 -4.563 1.132 1.00 41.31 C ATOM 478 C ALA A 28 5.993 -4.006 -0.273 1.00 70.41 C ATOM 479 O ALA A 28 5.421 -2.930 -0.444 1.00 33.42 O ATOM 480 CB ALA A 28 4.958 -5.322 1.585 1.00 31.34 C ATOM 0 H ALA A 28 5.924 -2.661 1.968 1.00 33.52 H new ATOM 0 HA ALA A 28 7.042 -5.253 1.109 1.00 41.31 H new ATOM 0 HB1 ALA A 28 4.740 -6.119 0.875 1.00 31.34 H new ATOM 0 HB2 ALA A 28 5.135 -5.752 2.571 1.00 31.34 H new ATOM 0 HB3 ALA A 28 4.111 -4.638 1.634 1.00 31.34 H new ATOM 486 N GLY A 29 6.477 -4.727 -1.272 1.00 1.22 N ATOM 487 CA GLY A 29 6.271 -4.316 -2.645 1.00 53.24 C ATOM 488 C GLY A 29 7.571 -4.142 -3.402 1.00 71.32 C ATOM 489 O GLY A 29 8.486 -4.958 -3.281 1.00 74.13 O ATOM 0 H GLY A 29 7.009 -5.590 -1.157 1.00 1.22 H new ATOM 0 HA2 GLY A 29 5.655 -5.057 -3.154 1.00 53.24 H new ATOM 0 HA3 GLY A 29 5.717 -3.377 -2.660 1.00 53.24 H new ATOM 493 N THR A 30 7.655 -3.074 -4.179 1.00 64.44 N ATOM 494 CA THR A 30 8.842 -2.795 -4.972 1.00 50.41 C ATOM 495 C THR A 30 9.292 -1.352 -4.750 1.00 42.10 C ATOM 496 O THR A 30 8.523 -0.539 -4.238 1.00 70.53 O ATOM 497 CB THR A 30 8.573 -3.026 -6.474 1.00 10.14 C ATOM 498 OG1 THR A 30 7.436 -2.262 -6.888 1.00 2.02 O ATOM 499 CG2 THR A 30 8.336 -4.501 -6.771 1.00 30.32 C ATOM 0 H THR A 30 6.911 -2.383 -4.278 1.00 64.44 H new ATOM 0 HA THR A 30 9.629 -3.477 -4.652 1.00 50.41 H new ATOM 0 HB THR A 30 9.454 -2.703 -7.029 1.00 10.14 H new ATOM 0 HG1 THR A 30 7.271 -2.412 -7.842 1.00 2.02 H new ATOM 0 HG21 THR A 30 8.149 -4.632 -7.837 1.00 30.32 H new ATOM 0 HG22 THR A 30 9.216 -5.076 -6.483 1.00 30.32 H new ATOM 0 HG23 THR A 30 7.473 -4.852 -6.206 1.00 30.32 H new ATOM 507 N PRO A 31 10.540 -1.010 -5.122 1.00 4.31 N ATOM 508 CA PRO A 31 11.064 0.355 -4.962 1.00 5.11 C ATOM 509 C PRO A 31 10.360 1.379 -5.857 1.00 74.52 C ATOM 510 O PRO A 31 10.584 2.581 -5.722 1.00 11.41 O ATOM 511 CB PRO A 31 12.539 0.223 -5.356 1.00 61.44 C ATOM 512 CG PRO A 31 12.596 -0.986 -6.223 1.00 53.32 C ATOM 513 CD PRO A 31 11.551 -1.923 -5.689 1.00 41.45 C ATOM 0 HA PRO A 31 10.908 0.724 -3.948 1.00 5.11 H new ATOM 0 HB2 PRO A 31 12.887 1.108 -5.889 1.00 61.44 H new ATOM 0 HB3 PRO A 31 13.174 0.110 -4.477 1.00 61.44 H new ATOM 0 HG2 PRO A 31 12.397 -0.730 -7.264 1.00 53.32 H new ATOM 0 HG3 PRO A 31 13.585 -1.444 -6.191 1.00 53.32 H new ATOM 0 HD2 PRO A 31 11.132 -2.550 -6.476 1.00 41.45 H new ATOM 0 HD3 PRO A 31 11.959 -2.593 -4.932 1.00 41.45 H new ATOM 521 N GLN A 32 9.513 0.898 -6.759 1.00 74.40 N ATOM 522 CA GLN A 32 8.776 1.772 -7.664 1.00 62.24 C ATOM 523 C GLN A 32 7.357 1.995 -7.142 1.00 54.31 C ATOM 524 O GLN A 32 6.758 3.052 -7.354 1.00 70.02 O ATOM 525 CB GLN A 32 8.740 1.168 -9.073 1.00 24.21 C ATOM 526 CG GLN A 32 8.221 2.125 -10.138 1.00 74.31 C ATOM 527 CD GLN A 32 9.081 3.369 -10.277 1.00 21.22 C ATOM 528 OE1 GLN A 32 10.285 3.338 -10.028 1.00 22.34 O ATOM 529 NE2 GLN A 32 8.467 4.471 -10.676 1.00 20.13 N ATOM 0 H GLN A 32 9.319 -0.096 -6.883 1.00 74.40 H new ATOM 0 HA GLN A 32 9.284 2.735 -7.713 1.00 62.24 H new ATOM 0 HB2 GLN A 32 9.745 0.846 -9.346 1.00 24.21 H new ATOM 0 HB3 GLN A 32 8.112 0.277 -9.061 1.00 24.21 H new ATOM 0 HG2 GLN A 32 8.180 1.608 -11.097 1.00 74.31 H new ATOM 0 HG3 GLN A 32 7.201 2.419 -9.890 1.00 74.31 H new ATOM 0 HE21 GLN A 32 7.466 4.455 -10.872 1.00 20.13 H new ATOM 0 HE22 GLN A 32 8.994 5.337 -10.787 1.00 20.13 H new ATOM 538 N ILE A 33 6.826 0.988 -6.462 1.00 41.34 N ATOM 539 CA ILE A 33 5.532 1.096 -5.811 1.00 4.51 C ATOM 540 C ILE A 33 5.554 0.310 -4.501 1.00 11.11 C ATOM 541 O ILE A 33 5.605 -0.925 -4.488 1.00 44.23 O ATOM 542 CB ILE A 33 4.375 0.622 -6.732 1.00 34.34 C ATOM 543 CG1 ILE A 33 3.048 0.606 -5.965 1.00 23.01 C ATOM 544 CG2 ILE A 33 4.669 -0.744 -7.336 1.00 11.33 C ATOM 545 CD1 ILE A 33 1.854 0.237 -6.820 1.00 1.32 C ATOM 0 H ILE A 33 7.278 0.081 -6.348 1.00 41.34 H new ATOM 0 HA ILE A 33 5.344 2.148 -5.595 1.00 4.51 H new ATOM 0 HB ILE A 33 4.290 1.333 -7.554 1.00 34.34 H new ATOM 0 HG12 ILE A 33 3.125 -0.101 -5.139 1.00 23.01 H new ATOM 0 HG13 ILE A 33 2.880 1.590 -5.527 1.00 23.01 H new ATOM 0 HG21 ILE A 33 3.839 -1.046 -7.975 1.00 11.33 H new ATOM 0 HG22 ILE A 33 5.582 -0.691 -7.928 1.00 11.33 H new ATOM 0 HG23 ILE A 33 4.796 -1.475 -6.538 1.00 11.33 H new ATOM 0 HD11 ILE A 33 0.952 0.247 -6.209 1.00 1.32 H new ATOM 0 HD12 ILE A 33 1.751 0.958 -7.631 1.00 1.32 H new ATOM 0 HD13 ILE A 33 1.999 -0.760 -7.237 1.00 1.32 H new ATOM 557 N THR A 34 5.563 1.041 -3.398 1.00 50.11 N ATOM 558 CA THR A 34 5.734 0.443 -2.088 1.00 23.12 C ATOM 559 C THR A 34 4.452 0.533 -1.268 1.00 52.43 C ATOM 560 O THR A 34 3.838 1.595 -1.176 1.00 40.42 O ATOM 561 CB THR A 34 6.876 1.140 -1.325 1.00 33.31 C ATOM 562 OG1 THR A 34 8.061 1.155 -2.134 1.00 52.55 O ATOM 563 CG2 THR A 34 7.167 0.436 -0.008 1.00 62.52 C ATOM 0 H THR A 34 5.453 2.055 -3.387 1.00 50.11 H new ATOM 0 HA THR A 34 5.981 -0.608 -2.236 1.00 23.12 H new ATOM 0 HB THR A 34 6.565 2.162 -1.106 1.00 33.31 H new ATOM 0 HG1 THR A 34 7.990 0.469 -2.830 1.00 52.55 H new ATOM 0 HG21 THR A 34 7.977 0.950 0.508 1.00 62.52 H new ATOM 0 HG22 THR A 34 6.274 0.448 0.616 1.00 62.52 H new ATOM 0 HG23 THR A 34 7.459 -0.596 -0.204 1.00 62.52 H new ATOM 571 N ILE A 35 4.054 -0.582 -0.681 1.00 70.10 N ATOM 572 CA ILE A 35 2.886 -0.616 0.181 1.00 44.43 C ATOM 573 C ILE A 35 3.334 -0.600 1.637 1.00 63.24 C ATOM 574 O ILE A 35 4.055 -1.495 2.085 1.00 61.12 O ATOM 575 CB ILE A 35 1.995 -1.862 -0.077 1.00 31.12 C ATOM 576 CG1 ILE A 35 1.366 -1.816 -1.477 1.00 62.12 C ATOM 577 CG2 ILE A 35 0.903 -1.967 0.980 1.00 21.12 C ATOM 578 CD1 ILE A 35 2.321 -2.155 -2.606 1.00 22.43 C ATOM 0 H ILE A 35 4.526 -1.480 -0.787 1.00 70.10 H new ATOM 0 HA ILE A 35 2.284 0.265 -0.044 1.00 44.43 H new ATOM 0 HB ILE A 35 2.634 -2.743 -0.017 1.00 31.12 H new ATOM 0 HG12 ILE A 35 0.526 -2.510 -1.507 1.00 62.12 H new ATOM 0 HG13 ILE A 35 0.961 -0.818 -1.647 1.00 62.12 H new ATOM 0 HG21 ILE A 35 0.289 -2.846 0.783 1.00 21.12 H new ATOM 0 HG22 ILE A 35 1.359 -2.057 1.966 1.00 21.12 H new ATOM 0 HG23 ILE A 35 0.279 -1.074 0.948 1.00 21.12 H new ATOM 0 HD11 ILE A 35 1.794 -2.098 -3.558 1.00 22.43 H new ATOM 0 HD12 ILE A 35 3.149 -1.446 -2.607 1.00 22.43 H new ATOM 0 HD13 ILE A 35 2.707 -3.164 -2.465 1.00 22.43 H new ATOM 590 N LEU A 36 2.928 0.433 2.356 1.00 4.03 N ATOM 591 CA LEU A 36 3.298 0.595 3.754 1.00 22.02 C ATOM 592 C LEU A 36 2.051 0.647 4.620 1.00 34.11 C ATOM 593 O LEU A 36 0.945 0.839 4.114 1.00 41.35 O ATOM 594 CB LEU A 36 4.105 1.886 3.946 1.00 35.41 C ATOM 595 CG LEU A 36 5.407 1.977 3.148 1.00 51.40 C ATOM 596 CD1 LEU A 36 6.018 3.365 3.286 1.00 5.23 C ATOM 597 CD2 LEU A 36 6.393 0.919 3.614 1.00 43.41 C ATOM 0 H LEU A 36 2.336 1.179 1.991 1.00 4.03 H new ATOM 0 HA LEU A 36 3.910 -0.257 4.050 1.00 22.02 H new ATOM 0 HB2 LEU A 36 3.473 2.732 3.674 1.00 35.41 H new ATOM 0 HB3 LEU A 36 4.341 1.992 5.005 1.00 35.41 H new ATOM 0 HG LEU A 36 5.179 1.799 2.097 1.00 51.40 H new ATOM 0 HD11 LEU A 36 6.944 3.414 2.713 1.00 5.23 H new ATOM 0 HD12 LEU A 36 5.318 4.110 2.908 1.00 5.23 H new ATOM 0 HD13 LEU A 36 6.231 3.566 4.336 1.00 5.23 H new ATOM 0 HD21 LEU A 36 7.313 0.999 3.035 1.00 43.41 H new ATOM 0 HD22 LEU A 36 6.615 1.069 4.671 1.00 43.41 H new ATOM 0 HD23 LEU A 36 5.959 -0.071 3.471 1.00 43.41 H new ATOM 609 N GLY A 37 2.220 0.472 5.921 1.00 52.22 N ATOM 610 CA GLY A 37 1.099 0.623 6.819 1.00 61.20 C ATOM 611 C GLY A 37 1.168 -0.286 8.026 1.00 51.24 C ATOM 612 O GLY A 37 1.996 -1.199 8.087 1.00 10.03 O ATOM 0 H GLY A 37 3.105 0.230 6.367 1.00 52.22 H new ATOM 0 HA2 GLY A 37 1.050 1.658 7.156 1.00 61.20 H new ATOM 0 HA3 GLY A 37 0.177 0.421 6.274 1.00 61.20 H new ATOM 616 N ARG A 38 0.305 -0.005 8.993 1.00 34.24 N ATOM 617 CA ARG A 38 0.142 -0.829 10.178 1.00 33.45 C ATOM 618 C ARG A 38 -1.177 -0.466 10.840 1.00 1.50 C ATOM 619 O ARG A 38 -1.576 0.699 10.827 1.00 72.32 O ATOM 620 CB ARG A 38 1.289 -0.627 11.178 1.00 42.23 C ATOM 621 CG ARG A 38 1.180 0.651 12.003 1.00 22.42 C ATOM 622 CD ARG A 38 2.162 0.642 13.161 1.00 54.34 C ATOM 623 NE ARG A 38 1.925 1.726 14.116 1.00 73.31 N ATOM 624 CZ ARG A 38 2.310 1.673 15.393 1.00 25.24 C ATOM 625 NH1 ARG A 38 2.951 0.601 15.844 1.00 31.12 N ATOM 626 NH2 ARG A 38 2.064 2.687 16.217 1.00 25.42 N ATOM 0 H ARG A 38 -0.307 0.811 8.974 1.00 34.24 H new ATOM 0 HA ARG A 38 0.151 -1.876 9.875 1.00 33.45 H new ATOM 0 HB2 ARG A 38 1.321 -1.481 11.854 1.00 42.23 H new ATOM 0 HB3 ARG A 38 2.233 -0.615 10.634 1.00 42.23 H new ATOM 0 HG2 ARG A 38 1.372 1.515 11.367 1.00 22.42 H new ATOM 0 HG3 ARG A 38 0.164 0.755 12.385 1.00 22.42 H new ATOM 0 HD2 ARG A 38 2.095 -0.314 13.680 1.00 54.34 H new ATOM 0 HD3 ARG A 38 3.177 0.723 12.771 1.00 54.34 H new ATOM 0 HE ARG A 38 1.442 2.563 13.790 1.00 73.31 H new ATOM 0 HH11 ARG A 38 3.147 -0.178 15.215 1.00 31.12 H new ATOM 0 HH12 ARG A 38 3.247 0.556 16.819 1.00 31.12 H new ATOM 0 HH21 ARG A 38 1.577 3.515 15.875 1.00 25.42 H new ATOM 0 HH22 ARG A 38 2.362 2.637 17.191 1.00 25.42 H new ATOM 640 N LEU A 39 -1.855 -1.451 11.399 1.00 33.42 N ATOM 641 CA LEU A 39 -3.109 -1.205 12.087 1.00 5.35 C ATOM 642 C LEU A 39 -3.538 -2.457 12.839 1.00 32.33 C ATOM 643 O LEU A 39 -2.952 -2.801 13.863 1.00 54.35 O ATOM 644 CB LEU A 39 -4.199 -0.769 11.094 1.00 1.51 C ATOM 645 CG LEU A 39 -5.425 -0.096 11.714 1.00 12.31 C ATOM 646 CD1 LEU A 39 -5.043 1.240 12.335 1.00 43.31 C ATOM 647 CD2 LEU A 39 -6.512 0.093 10.669 1.00 0.32 C ATOM 0 H LEU A 39 -1.559 -2.427 11.390 1.00 33.42 H new ATOM 0 HA LEU A 39 -2.964 -0.395 12.802 1.00 5.35 H new ATOM 0 HB2 LEU A 39 -3.755 -0.082 10.373 1.00 1.51 H new ATOM 0 HB3 LEU A 39 -4.530 -1.646 10.537 1.00 1.51 H new ATOM 0 HG LEU A 39 -5.813 -0.742 12.501 1.00 12.31 H new ATOM 0 HD11 LEU A 39 -5.927 1.705 12.771 1.00 43.31 H new ATOM 0 HD12 LEU A 39 -4.296 1.080 13.113 1.00 43.31 H new ATOM 0 HD13 LEU A 39 -4.631 1.894 11.566 1.00 43.31 H new ATOM 0 HD21 LEU A 39 -7.377 0.573 11.127 1.00 0.32 H new ATOM 0 HD22 LEU A 39 -6.135 0.719 9.861 1.00 0.32 H new ATOM 0 HD23 LEU A 39 -6.805 -0.878 10.269 1.00 0.32 H new ATOM 659 N ASN A 40 -4.530 -3.153 12.296 1.00 73.42 N ATOM 660 CA ASN A 40 -5.057 -4.372 12.893 1.00 54.45 C ATOM 661 C ASN A 40 -6.206 -4.878 12.039 1.00 42.42 C ATOM 662 O ASN A 40 -6.797 -4.108 11.280 1.00 41.51 O ATOM 663 CB ASN A 40 -5.546 -4.119 14.327 1.00 12.30 C ATOM 664 CG ASN A 40 -5.949 -5.396 15.040 1.00 33.44 C ATOM 665 OD1 ASN A 40 -5.409 -6.469 14.774 1.00 33.45 O ATOM 666 ND2 ASN A 40 -6.899 -5.287 15.954 1.00 70.31 N ATOM 0 H ASN A 40 -4.992 -2.886 11.427 1.00 73.42 H new ATOM 0 HA ASN A 40 -4.262 -5.117 12.936 1.00 54.45 H new ATOM 0 HB2 ASN A 40 -4.757 -3.624 14.894 1.00 12.30 H new ATOM 0 HB3 ASN A 40 -6.396 -3.437 14.302 1.00 12.30 H new ATOM 0 HD21 ASN A 40 -7.209 -6.112 16.468 1.00 70.31 H new ATOM 0 HD22 ASN A 40 -7.321 -4.378 16.145 1.00 70.31 H new ATOM 673 N SER A 41 -6.503 -6.162 12.139 1.00 22.45 N ATOM 674 CA SER A 41 -7.622 -6.741 11.420 1.00 64.11 C ATOM 675 C SER A 41 -8.938 -6.273 12.041 1.00 12.31 C ATOM 676 O SER A 41 -9.506 -6.937 12.909 1.00 55.52 O ATOM 677 CB SER A 41 -7.517 -8.267 11.436 1.00 52.51 C ATOM 678 OG SER A 41 -6.264 -8.690 10.915 1.00 62.10 O ATOM 0 H SER A 41 -5.982 -6.825 12.714 1.00 22.45 H new ATOM 0 HA SER A 41 -7.598 -6.409 10.382 1.00 64.11 H new ATOM 0 HB2 SER A 41 -7.635 -8.634 12.456 1.00 52.51 H new ATOM 0 HB3 SER A 41 -8.326 -8.698 10.846 1.00 52.51 H new ATOM 0 HG SER A 41 -6.215 -9.669 10.935 1.00 62.10 H new ATOM 684 N LEU A 42 -9.390 -5.098 11.627 1.00 72.14 N ATOM 685 CA LEU A 42 -10.600 -4.497 12.178 1.00 41.02 C ATOM 686 C LEU A 42 -11.800 -4.771 11.283 1.00 22.54 C ATOM 687 O LEU A 42 -12.939 -4.463 11.641 1.00 31.14 O ATOM 688 CB LEU A 42 -10.413 -2.986 12.344 1.00 74.21 C ATOM 689 CG LEU A 42 -9.299 -2.566 13.303 1.00 2.02 C ATOM 690 CD1 LEU A 42 -9.178 -1.051 13.343 1.00 70.35 C ATOM 691 CD2 LEU A 42 -9.555 -3.119 14.697 1.00 63.32 C ATOM 0 H LEU A 42 -8.935 -4.537 10.907 1.00 72.14 H new ATOM 0 HA LEU A 42 -10.785 -4.946 13.154 1.00 41.02 H new ATOM 0 HB2 LEU A 42 -10.210 -2.552 11.365 1.00 74.21 H new ATOM 0 HB3 LEU A 42 -11.352 -2.557 12.694 1.00 74.21 H new ATOM 0 HG LEU A 42 -8.358 -2.979 12.940 1.00 2.02 H new ATOM 0 HD11 LEU A 42 -8.381 -0.768 14.030 1.00 70.35 H new ATOM 0 HD12 LEU A 42 -8.947 -0.678 12.345 1.00 70.35 H new ATOM 0 HD13 LEU A 42 -10.120 -0.620 13.682 1.00 70.35 H new ATOM 0 HD21 LEU A 42 -8.751 -2.809 15.365 1.00 63.32 H new ATOM 0 HD22 LEU A 42 -10.505 -2.737 15.071 1.00 63.32 H new ATOM 0 HD23 LEU A 42 -9.593 -4.208 14.655 1.00 63.32 H new ATOM 703 N GLY A 43 -11.540 -5.353 10.122 1.00 21.44 N ATOM 704 CA GLY A 43 -12.606 -5.613 9.176 1.00 3.42 C ATOM 705 C GLY A 43 -12.971 -4.381 8.379 1.00 1.02 C ATOM 706 O GLY A 43 -14.091 -4.258 7.886 1.00 40.25 O ATOM 0 H GLY A 43 -10.613 -5.649 9.818 1.00 21.44 H new ATOM 0 HA2 GLY A 43 -12.300 -6.407 8.495 1.00 3.42 H new ATOM 0 HA3 GLY A 43 -13.485 -5.972 9.711 1.00 3.42 H new ATOM 710 N HIS A 44 -12.024 -3.463 8.250 1.00 71.30 N ATOM 711 CA HIS A 44 -12.261 -2.216 7.535 1.00 1.12 C ATOM 712 C HIS A 44 -11.083 -1.894 6.621 1.00 14.12 C ATOM 713 O HIS A 44 -10.152 -1.197 7.018 1.00 31.43 O ATOM 714 CB HIS A 44 -12.503 -1.074 8.531 1.00 1.33 C ATOM 715 CG HIS A 44 -12.826 0.247 7.892 1.00 42.25 C ATOM 716 ND1 HIS A 44 -14.050 0.532 7.334 1.00 73.44 N ATOM 717 CD2 HIS A 44 -12.079 1.368 7.745 1.00 11.02 C ATOM 718 CE1 HIS A 44 -14.048 1.768 6.874 1.00 52.53 C ATOM 719 NE2 HIS A 44 -12.863 2.302 7.109 1.00 31.41 N ATOM 0 H HIS A 44 -11.083 -3.558 8.632 1.00 71.30 H new ATOM 0 HA HIS A 44 -13.151 -2.330 6.916 1.00 1.12 H new ATOM 0 HB2 HIS A 44 -13.322 -1.353 9.194 1.00 1.33 H new ATOM 0 HB3 HIS A 44 -11.616 -0.956 9.153 1.00 1.33 H new ATOM 0 HD2 HIS A 44 -11.057 1.503 8.068 1.00 11.02 H new ATOM 0 HE1 HIS A 44 -14.876 2.261 6.387 1.00 52.53 H new ATOM 0 HE2 HIS A 44 -12.577 3.249 6.860 1.00 31.41 H new ATOM 728 N PRO A 45 -11.098 -2.425 5.390 1.00 30.41 N ATOM 729 CA PRO A 45 -10.031 -2.210 4.422 1.00 72.35 C ATOM 730 C PRO A 45 -10.266 -0.988 3.532 1.00 20.41 C ATOM 731 O PRO A 45 -11.403 -0.695 3.143 1.00 45.12 O ATOM 732 CB PRO A 45 -10.078 -3.490 3.591 1.00 43.32 C ATOM 733 CG PRO A 45 -11.507 -3.940 3.634 1.00 10.41 C ATOM 734 CD PRO A 45 -12.153 -3.293 4.842 1.00 11.43 C ATOM 0 HA PRO A 45 -9.073 -2.014 4.904 1.00 72.35 H new ATOM 0 HB2 PRO A 45 -9.755 -3.305 2.566 1.00 43.32 H new ATOM 0 HB3 PRO A 45 -9.414 -4.250 4.003 1.00 43.32 H new ATOM 0 HG2 PRO A 45 -12.027 -3.651 2.721 1.00 10.41 H new ATOM 0 HG3 PRO A 45 -11.565 -5.026 3.704 1.00 10.41 H new ATOM 0 HD2 PRO A 45 -13.036 -2.719 4.562 1.00 11.43 H new ATOM 0 HD3 PRO A 45 -12.474 -4.038 5.570 1.00 11.43 H new ATOM 742 N ARG A 46 -9.194 -0.276 3.215 1.00 34.43 N ATOM 743 CA ARG A 46 -9.280 0.857 2.308 1.00 64.22 C ATOM 744 C ARG A 46 -7.914 1.127 1.692 1.00 62.20 C ATOM 745 O ARG A 46 -6.884 0.961 2.348 1.00 31.32 O ATOM 746 CB ARG A 46 -9.786 2.102 3.044 1.00 62.10 C ATOM 747 CG ARG A 46 -10.484 3.105 2.139 1.00 3.25 C ATOM 748 CD ARG A 46 -11.748 2.509 1.543 1.00 71.14 C ATOM 749 NE ARG A 46 -12.513 3.479 0.756 1.00 23.03 N ATOM 750 CZ ARG A 46 -13.769 3.282 0.353 1.00 25.01 C ATOM 751 NH1 ARG A 46 -14.392 2.146 0.647 1.00 34.41 N ATOM 752 NH2 ARG A 46 -14.394 4.220 -0.348 1.00 70.52 N ATOM 0 H ARG A 46 -8.257 -0.463 3.572 1.00 34.43 H new ATOM 0 HA ARG A 46 -9.989 0.618 1.515 1.00 64.22 H new ATOM 0 HB2 ARG A 46 -10.476 1.794 3.830 1.00 62.10 H new ATOM 0 HB3 ARG A 46 -8.944 2.592 3.533 1.00 62.10 H new ATOM 0 HG2 ARG A 46 -10.733 4.002 2.707 1.00 3.25 H new ATOM 0 HG3 ARG A 46 -9.809 3.411 1.339 1.00 3.25 H new ATOM 0 HD2 ARG A 46 -11.482 1.662 0.910 1.00 71.14 H new ATOM 0 HD3 ARG A 46 -12.376 2.122 2.346 1.00 71.14 H new ATOM 0 HE ARG A 46 -12.059 4.356 0.501 1.00 23.03 H new ATOM 0 HH11 ARG A 46 -13.910 1.423 1.181 1.00 34.41 H new ATOM 0 HH12 ARG A 46 -15.353 1.996 0.338 1.00 34.41 H new ATOM 0 HH21 ARG A 46 -13.914 5.090 -0.578 1.00 70.52 H new ATOM 0 HH22 ARG A 46 -15.355 4.071 -0.657 1.00 70.52 H new ATOM 766 N ILE A 47 -7.907 1.517 0.428 1.00 34.22 N ATOM 767 CA ILE A 47 -6.664 1.789 -0.274 1.00 62.40 C ATOM 768 C ILE A 47 -6.225 3.239 -0.067 1.00 52.43 C ATOM 769 O ILE A 47 -6.916 4.181 -0.460 1.00 33.23 O ATOM 770 CB ILE A 47 -6.784 1.470 -1.785 1.00 12.05 C ATOM 771 CG1 ILE A 47 -5.472 1.805 -2.504 1.00 5.12 C ATOM 772 CG2 ILE A 47 -7.964 2.204 -2.415 1.00 71.21 C ATOM 773 CD1 ILE A 47 -5.538 1.644 -4.005 1.00 54.12 C ATOM 0 H ILE A 47 -8.748 1.652 -0.133 1.00 34.22 H new ATOM 0 HA ILE A 47 -5.902 1.134 0.147 1.00 62.40 H new ATOM 0 HB ILE A 47 -6.973 0.402 -1.895 1.00 12.05 H new ATOM 0 HG12 ILE A 47 -5.193 2.833 -2.271 1.00 5.12 H new ATOM 0 HG13 ILE A 47 -4.681 1.164 -2.114 1.00 5.12 H new ATOM 0 HG21 ILE A 47 -8.021 1.959 -3.476 1.00 71.21 H new ATOM 0 HG22 ILE A 47 -8.887 1.899 -1.922 1.00 71.21 H new ATOM 0 HG23 ILE A 47 -7.828 3.279 -2.298 1.00 71.21 H new ATOM 0 HD11 ILE A 47 -4.572 1.899 -4.441 1.00 54.12 H new ATOM 0 HD12 ILE A 47 -5.785 0.611 -4.250 1.00 54.12 H new ATOM 0 HD13 ILE A 47 -6.305 2.306 -4.409 1.00 54.12 H new ATOM 785 N GLY A 48 -5.084 3.413 0.576 1.00 22.52 N ATOM 786 CA GLY A 48 -4.547 4.735 0.794 1.00 33.40 C ATOM 787 C GLY A 48 -3.483 5.083 -0.222 1.00 45.30 C ATOM 788 O GLY A 48 -2.298 5.154 0.106 1.00 34.22 O ATOM 0 H GLY A 48 -4.516 2.655 0.954 1.00 22.52 H new ATOM 0 HA2 GLY A 48 -5.352 5.468 0.742 1.00 33.40 H new ATOM 0 HA3 GLY A 48 -4.125 4.795 1.797 1.00 33.40 H new ATOM 792 N LEU A 49 -3.903 5.277 -1.463 1.00 73.12 N ATOM 793 CA LEU A 49 -2.984 5.622 -2.534 1.00 51.14 C ATOM 794 C LEU A 49 -2.385 7.002 -2.298 1.00 41.03 C ATOM 795 O LEU A 49 -3.071 8.019 -2.396 1.00 62.44 O ATOM 796 CB LEU A 49 -3.699 5.579 -3.887 1.00 3.14 C ATOM 797 CG LEU A 49 -2.831 5.952 -5.091 1.00 40.14 C ATOM 798 CD1 LEU A 49 -1.686 4.967 -5.260 1.00 11.34 C ATOM 799 CD2 LEU A 49 -3.672 6.011 -6.353 1.00 63.14 C ATOM 0 H LEU A 49 -4.878 5.201 -1.753 1.00 73.12 H new ATOM 0 HA LEU A 49 -2.177 4.890 -2.544 1.00 51.14 H new ATOM 0 HB2 LEU A 49 -4.094 4.575 -4.040 1.00 3.14 H new ATOM 0 HB3 LEU A 49 -4.553 6.255 -3.851 1.00 3.14 H new ATOM 0 HG LEU A 49 -2.405 6.939 -4.910 1.00 40.14 H new ATOM 0 HD11 LEU A 49 -1.084 5.254 -6.122 1.00 11.34 H new ATOM 0 HD12 LEU A 49 -1.064 4.974 -4.365 1.00 11.34 H new ATOM 0 HD13 LEU A 49 -2.087 3.965 -5.415 1.00 11.34 H new ATOM 0 HD21 LEU A 49 -3.039 6.278 -7.200 1.00 63.14 H new ATOM 0 HD22 LEU A 49 -4.127 5.037 -6.533 1.00 63.14 H new ATOM 0 HD23 LEU A 49 -4.454 6.761 -6.234 1.00 63.14 H new ATOM 811 N THR A 50 -1.105 7.027 -1.978 1.00 43.11 N ATOM 812 CA THR A 50 -0.412 8.269 -1.724 1.00 70.35 C ATOM 813 C THR A 50 0.423 8.659 -2.937 1.00 25.43 C ATOM 814 O THR A 50 1.505 8.117 -3.169 1.00 1.50 O ATOM 815 CB THR A 50 0.482 8.159 -0.476 1.00 33.22 C ATOM 816 OG1 THR A 50 -0.299 7.689 0.629 1.00 74.41 O ATOM 817 CG2 THR A 50 1.101 9.508 -0.124 1.00 30.20 C ATOM 0 H THR A 50 -0.524 6.194 -1.888 1.00 43.11 H new ATOM 0 HA THR A 50 -1.157 9.043 -1.539 1.00 70.35 H new ATOM 0 HB THR A 50 1.288 7.457 -0.690 1.00 33.22 H new ATOM 0 HG1 THR A 50 0.154 7.913 1.469 1.00 74.41 H new ATOM 0 HG21 THR A 50 1.728 9.401 0.761 1.00 30.20 H new ATOM 0 HG22 THR A 50 1.709 9.858 -0.958 1.00 30.20 H new ATOM 0 HG23 THR A 50 0.310 10.230 0.077 1.00 30.20 H new ATOM 825 N VAL A 51 -0.114 9.573 -3.724 1.00 21.34 N ATOM 826 CA VAL A 51 0.556 10.037 -4.924 1.00 53.51 C ATOM 827 C VAL A 51 0.687 11.558 -4.914 1.00 43.51 C ATOM 828 O VAL A 51 -0.307 12.286 -4.933 1.00 55.21 O ATOM 829 CB VAL A 51 -0.179 9.561 -6.200 1.00 54.14 C ATOM 830 CG1 VAL A 51 -1.666 9.876 -6.142 1.00 33.14 C ATOM 831 CG2 VAL A 51 0.442 10.177 -7.440 1.00 41.14 C ATOM 0 H VAL A 51 -1.019 10.011 -3.552 1.00 21.34 H new ATOM 0 HA VAL A 51 1.556 9.604 -4.935 1.00 53.51 H new ATOM 0 HB VAL A 51 -0.069 8.478 -6.254 1.00 54.14 H new ATOM 0 HG11 VAL A 51 -2.148 9.527 -7.055 1.00 33.14 H new ATOM 0 HG12 VAL A 51 -2.111 9.375 -5.282 1.00 33.14 H new ATOM 0 HG13 VAL A 51 -1.806 10.953 -6.047 1.00 33.14 H new ATOM 0 HG21 VAL A 51 -0.090 9.829 -8.325 1.00 41.14 H new ATOM 0 HG22 VAL A 51 0.374 11.263 -7.380 1.00 41.14 H new ATOM 0 HG23 VAL A 51 1.489 9.882 -7.507 1.00 41.14 H new ATOM 841 N ALA A 52 1.923 12.026 -4.858 1.00 51.34 N ATOM 842 CA ALA A 52 2.199 13.452 -4.820 1.00 25.40 C ATOM 843 C ALA A 52 2.424 13.996 -6.223 1.00 15.31 C ATOM 844 O ALA A 52 2.776 13.249 -7.138 1.00 35.41 O ATOM 845 CB ALA A 52 3.409 13.731 -3.939 1.00 42.41 C ATOM 0 H ALA A 52 2.755 11.436 -4.838 1.00 51.34 H new ATOM 0 HA ALA A 52 1.333 13.959 -4.395 1.00 25.40 H new ATOM 0 HB1 ALA A 52 3.605 14.803 -3.919 1.00 42.41 H new ATOM 0 HB2 ALA A 52 3.211 13.379 -2.926 1.00 42.41 H new ATOM 0 HB3 ALA A 52 4.279 13.210 -4.340 1.00 42.41 H new ATOM 851 N LYS A 53 2.237 15.305 -6.377 1.00 34.41 N ATOM 852 CA LYS A 53 2.410 15.977 -7.665 1.00 51.44 C ATOM 853 C LYS A 53 3.873 15.973 -8.111 1.00 42.24 C ATOM 854 O LYS A 53 4.190 16.340 -9.240 1.00 44.52 O ATOM 855 CB LYS A 53 1.897 17.418 -7.579 1.00 21.41 C ATOM 856 CG LYS A 53 2.558 18.239 -6.477 1.00 1.32 C ATOM 857 CD LYS A 53 1.997 19.652 -6.424 1.00 44.03 C ATOM 858 CE LYS A 53 2.535 20.428 -5.229 1.00 74.50 C ATOM 859 NZ LYS A 53 4.014 20.590 -5.277 1.00 1.03 N ATOM 0 H LYS A 53 1.963 15.928 -5.617 1.00 34.41 H new ATOM 0 HA LYS A 53 1.831 15.427 -8.407 1.00 51.44 H new ATOM 0 HB2 LYS A 53 2.063 17.911 -8.537 1.00 21.41 H new ATOM 0 HB3 LYS A 53 0.820 17.402 -7.411 1.00 21.41 H new ATOM 0 HG2 LYS A 53 2.405 17.749 -5.515 1.00 1.32 H new ATOM 0 HG3 LYS A 53 3.634 18.279 -6.647 1.00 1.32 H new ATOM 0 HD2 LYS A 53 2.251 20.179 -7.344 1.00 44.03 H new ATOM 0 HD3 LYS A 53 0.909 19.610 -6.370 1.00 44.03 H new ATOM 0 HE2 LYS A 53 2.065 21.411 -5.196 1.00 74.50 H new ATOM 0 HE3 LYS A 53 2.258 19.912 -4.310 1.00 74.50 H new ATOM 0 HZ1 LYS A 53 4.325 21.181 -4.480 1.00 1.03 H new ATOM 0 HZ2 LYS A 53 4.468 19.656 -5.213 1.00 1.03 H new ATOM 0 HZ3 LYS A 53 4.284 21.046 -6.172 1.00 1.03 H new ATOM 873 N LYS A 54 4.760 15.577 -7.210 1.00 14.34 N ATOM 874 CA LYS A 54 6.182 15.488 -7.516 1.00 2.34 C ATOM 875 C LYS A 54 6.540 14.074 -7.963 1.00 4.41 C ATOM 876 O LYS A 54 7.623 13.833 -8.499 1.00 21.11 O ATOM 877 CB LYS A 54 7.013 15.888 -6.292 1.00 24.11 C ATOM 878 CG LYS A 54 6.644 15.120 -5.031 1.00 71.31 C ATOM 879 CD LYS A 54 7.437 15.591 -3.822 1.00 61.24 C ATOM 880 CE LYS A 54 8.916 15.277 -3.963 1.00 63.01 C ATOM 881 NZ LYS A 54 9.681 15.699 -2.761 1.00 2.35 N ATOM 0 H LYS A 54 4.519 15.311 -6.255 1.00 14.34 H new ATOM 0 HA LYS A 54 6.408 16.176 -8.330 1.00 2.34 H new ATOM 0 HB2 LYS A 54 8.069 15.726 -6.511 1.00 24.11 H new ATOM 0 HB3 LYS A 54 6.885 16.955 -6.109 1.00 24.11 H new ATOM 0 HG2 LYS A 54 5.579 15.238 -4.834 1.00 71.31 H new ATOM 0 HG3 LYS A 54 6.823 14.056 -5.189 1.00 71.31 H new ATOM 0 HD2 LYS A 54 7.304 16.665 -3.695 1.00 61.24 H new ATOM 0 HD3 LYS A 54 7.048 15.113 -2.923 1.00 61.24 H new ATOM 0 HE2 LYS A 54 9.048 14.207 -4.122 1.00 63.01 H new ATOM 0 HE3 LYS A 54 9.313 15.781 -4.844 1.00 63.01 H new ATOM 0 HZ1 LYS A 54 10.687 15.470 -2.892 1.00 2.35 H new ATOM 0 HZ2 LYS A 54 9.575 16.724 -2.624 1.00 2.35 H new ATOM 0 HZ3 LYS A 54 9.318 15.199 -1.925 1.00 2.35 H new ATOM 895 N ASN A 55 5.617 13.145 -7.752 1.00 25.24 N ATOM 896 CA ASN A 55 5.841 11.747 -8.097 1.00 25.20 C ATOM 897 C ASN A 55 5.122 11.404 -9.393 1.00 24.35 C ATOM 898 O ASN A 55 5.708 10.836 -10.316 1.00 64.04 O ATOM 899 CB ASN A 55 5.368 10.825 -6.966 1.00 14.12 C ATOM 900 CG ASN A 55 6.242 10.913 -5.723 1.00 24.32 C ATOM 901 OD1 ASN A 55 6.871 11.935 -5.452 1.00 61.53 O ATOM 902 ND2 ASN A 55 6.279 9.839 -4.949 1.00 42.13 N ATOM 0 H ASN A 55 4.703 13.335 -7.342 1.00 25.24 H new ATOM 0 HA ASN A 55 6.911 11.595 -8.237 1.00 25.20 H new ATOM 0 HB2 ASN A 55 4.342 11.081 -6.701 1.00 14.12 H new ATOM 0 HB3 ASN A 55 5.358 9.796 -7.324 1.00 14.12 H new ATOM 0 HD21 ASN A 55 6.842 9.843 -4.098 1.00 42.13 H new ATOM 0 HD22 ASN A 55 5.745 9.008 -5.204 1.00 42.13 H new ATOM 909 N VAL A 56 3.846 11.748 -9.453 1.00 31.22 N ATOM 910 CA VAL A 56 3.059 11.587 -10.665 1.00 42.24 C ATOM 911 C VAL A 56 2.424 12.926 -11.010 1.00 63.41 C ATOM 912 O VAL A 56 1.762 13.541 -10.172 1.00 11.41 O ATOM 913 CB VAL A 56 1.972 10.500 -10.509 1.00 34.43 C ATOM 914 CG1 VAL A 56 1.225 10.290 -11.814 1.00 50.22 C ATOM 915 CG2 VAL A 56 2.586 9.190 -10.036 1.00 42.01 C ATOM 0 H VAL A 56 3.329 12.144 -8.668 1.00 31.22 H new ATOM 0 HA VAL A 56 3.718 11.260 -11.470 1.00 42.24 H new ATOM 0 HB VAL A 56 1.261 10.842 -9.757 1.00 34.43 H new ATOM 0 HG11 VAL A 56 0.465 9.520 -11.679 1.00 50.22 H new ATOM 0 HG12 VAL A 56 0.747 11.223 -12.114 1.00 50.22 H new ATOM 0 HG13 VAL A 56 1.926 9.976 -12.588 1.00 50.22 H new ATOM 0 HG21 VAL A 56 1.804 8.438 -9.933 1.00 42.01 H new ATOM 0 HG22 VAL A 56 3.323 8.850 -10.764 1.00 42.01 H new ATOM 0 HG23 VAL A 56 3.072 9.343 -9.072 1.00 42.01 H new ATOM 925 N ARG A 57 2.630 13.380 -12.233 1.00 41.32 N ATOM 926 CA ARG A 57 2.346 14.765 -12.576 1.00 52.11 C ATOM 927 C ARG A 57 1.020 14.909 -13.314 1.00 52.25 C ATOM 928 O ARG A 57 0.078 15.530 -12.812 1.00 62.35 O ATOM 929 CB ARG A 57 3.476 15.322 -13.445 1.00 63.50 C ATOM 930 CG ARG A 57 4.869 15.004 -12.927 1.00 2.34 C ATOM 931 CD ARG A 57 5.929 15.489 -13.896 1.00 5.43 C ATOM 932 NE ARG A 57 7.265 15.013 -13.552 1.00 14.43 N ATOM 933 CZ ARG A 57 8.310 15.086 -14.375 1.00 2.03 C ATOM 934 NH1 ARG A 57 8.174 15.638 -15.578 1.00 11.15 N ATOM 935 NH2 ARG A 57 9.487 14.607 -13.996 1.00 30.44 N ATOM 0 H ARG A 57 2.991 12.815 -13.002 1.00 41.32 H new ATOM 0 HA ARG A 57 2.273 15.328 -11.645 1.00 52.11 H new ATOM 0 HB2 ARG A 57 3.375 14.923 -14.454 1.00 63.50 H new ATOM 0 HB3 ARG A 57 3.365 16.404 -13.518 1.00 63.50 H new ATOM 0 HG2 ARG A 57 5.016 15.475 -11.955 1.00 2.34 H new ATOM 0 HG3 ARG A 57 4.970 13.929 -12.779 1.00 2.34 H new ATOM 0 HD2 ARG A 57 5.676 15.155 -14.902 1.00 5.43 H new ATOM 0 HD3 ARG A 57 5.929 16.579 -13.913 1.00 5.43 H new ATOM 0 HE ARG A 57 7.407 14.601 -12.630 1.00 14.43 H new ATOM 0 HH11 ARG A 57 7.269 16.006 -15.871 1.00 11.15 H new ATOM 0 HH12 ARG A 57 8.975 15.693 -16.207 1.00 11.15 H new ATOM 0 HH21 ARG A 57 9.592 14.183 -13.074 1.00 30.44 H new ATOM 0 HH22 ARG A 57 10.287 14.663 -14.626 1.00 30.44 H new ATOM 949 N ARG A 58 0.941 14.306 -14.494 1.00 12.22 N ATOM 950 CA ARG A 58 -0.167 14.553 -15.412 1.00 11.44 C ATOM 951 C ARG A 58 -1.465 13.985 -14.850 1.00 21.10 C ATOM 952 O ARG A 58 -1.466 12.951 -14.175 1.00 61.13 O ATOM 953 CB ARG A 58 0.110 13.954 -16.804 1.00 12.11 C ATOM 954 CG ARG A 58 1.349 14.507 -17.513 1.00 22.22 C ATOM 955 CD ARG A 58 2.626 13.949 -16.909 1.00 54.22 C ATOM 956 NE ARG A 58 3.828 14.312 -17.654 1.00 74.30 N ATOM 957 CZ ARG A 58 4.982 13.652 -17.545 1.00 2.21 C ATOM 958 NH1 ARG A 58 5.056 12.543 -16.816 1.00 42.34 N ATOM 959 NH2 ARG A 58 6.058 14.077 -18.193 1.00 73.32 N ATOM 0 H ARG A 58 1.632 13.640 -14.839 1.00 12.22 H new ATOM 0 HA ARG A 58 -0.268 15.633 -15.521 1.00 11.44 H new ATOM 0 HB2 ARG A 58 0.220 12.874 -16.703 1.00 12.11 H new ATOM 0 HB3 ARG A 58 -0.760 14.128 -17.437 1.00 12.11 H new ATOM 0 HG2 ARG A 58 1.306 14.257 -18.573 1.00 22.22 H new ATOM 0 HG3 ARG A 58 1.356 15.595 -17.442 1.00 22.22 H new ATOM 0 HD2 ARG A 58 2.721 14.308 -15.884 1.00 54.22 H new ATOM 0 HD3 ARG A 58 2.552 12.863 -16.861 1.00 54.22 H new ATOM 0 HE ARG A 58 3.783 15.109 -18.289 1.00 74.30 H new ATOM 0 HH11 ARG A 58 4.227 12.192 -16.336 1.00 42.34 H new ATOM 0 HH12 ARG A 58 5.941 12.043 -16.737 1.00 42.34 H new ATOM 0 HH21 ARG A 58 6.005 14.911 -18.777 1.00 73.32 H new ATOM 0 HH22 ARG A 58 6.939 13.570 -18.107 1.00 73.32 H new ATOM 973 N ALA A 59 -2.568 14.670 -15.123 1.00 54.20 N ATOM 974 CA ALA A 59 -3.877 14.238 -14.655 1.00 2.35 C ATOM 975 C ALA A 59 -4.247 12.890 -15.258 1.00 32.33 C ATOM 976 O ALA A 59 -4.862 12.051 -14.601 1.00 0.03 O ATOM 977 CB ALA A 59 -4.933 15.283 -14.993 1.00 72.43 C ATOM 0 H ALA A 59 -2.581 15.531 -15.669 1.00 54.20 H new ATOM 0 HA ALA A 59 -3.834 14.126 -13.572 1.00 2.35 H new ATOM 0 HB1 ALA A 59 -5.906 14.945 -14.637 1.00 72.43 H new ATOM 0 HB2 ALA A 59 -4.678 16.227 -14.512 1.00 72.43 H new ATOM 0 HB3 ALA A 59 -4.972 15.425 -16.073 1.00 72.43 H new ATOM 983 N HIS A 60 -3.848 12.680 -16.508 1.00 51.45 N ATOM 984 CA HIS A 60 -4.114 11.421 -17.191 1.00 75.13 C ATOM 985 C HIS A 60 -3.377 10.277 -16.496 1.00 11.12 C ATOM 986 O HIS A 60 -3.898 9.168 -16.392 1.00 41.43 O ATOM 987 CB HIS A 60 -3.704 11.513 -18.665 1.00 15.30 C ATOM 988 CG HIS A 60 -4.091 10.317 -19.484 1.00 10.02 C ATOM 989 ND1 HIS A 60 -5.280 10.233 -20.181 1.00 2.24 N ATOM 990 CD2 HIS A 60 -3.441 9.153 -19.716 1.00 72.15 C ATOM 991 CE1 HIS A 60 -5.341 9.069 -20.802 1.00 61.53 C ATOM 992 NE2 HIS A 60 -4.238 8.396 -20.538 1.00 35.32 N ATOM 0 H HIS A 60 -3.340 13.365 -17.067 1.00 51.45 H new ATOM 0 HA HIS A 60 -5.184 11.219 -17.147 1.00 75.13 H new ATOM 0 HB2 HIS A 60 -4.158 12.402 -19.103 1.00 15.30 H new ATOM 0 HB3 HIS A 60 -2.624 11.646 -18.723 1.00 15.30 H new ATOM 0 HD2 HIS A 60 -2.474 8.872 -19.326 1.00 72.15 H new ATOM 0 HE1 HIS A 60 -6.157 8.726 -21.421 1.00 61.53 H new ATOM 0 HE2 HIS A 60 -4.014 7.464 -20.888 1.00 35.32 H new ATOM 1001 N GLU A 61 -2.170 10.558 -16.012 1.00 12.11 N ATOM 1002 CA GLU A 61 -1.391 9.568 -15.278 1.00 13.21 C ATOM 1003 C GLU A 61 -2.087 9.214 -13.976 1.00 23.15 C ATOM 1004 O GLU A 61 -2.388 8.052 -13.710 1.00 11.55 O ATOM 1005 CB GLU A 61 0.003 10.095 -14.943 1.00 34.12 C ATOM 1006 CG GLU A 61 0.843 10.485 -16.140 1.00 24.40 C ATOM 1007 CD GLU A 61 2.223 10.960 -15.730 1.00 55.51 C ATOM 1008 OE1 GLU A 61 2.316 11.853 -14.855 1.00 0.34 O ATOM 1009 OE2 GLU A 61 3.217 10.460 -16.289 1.00 60.33 O ATOM 0 H GLU A 61 -1.711 11.463 -16.115 1.00 12.11 H new ATOM 0 HA GLU A 61 -1.302 8.689 -15.916 1.00 13.21 H new ATOM 0 HB2 GLU A 61 -0.100 10.963 -14.292 1.00 34.12 H new ATOM 0 HB3 GLU A 61 0.537 9.332 -14.376 1.00 34.12 H new ATOM 0 HG2 GLU A 61 0.937 9.631 -16.811 1.00 24.40 H new ATOM 0 HG3 GLU A 61 0.338 11.274 -16.697 1.00 24.40 H new ATOM 1016 N ARG A 62 -2.350 10.239 -13.173 1.00 72.13 N ATOM 1017 CA ARG A 62 -2.929 10.057 -11.846 1.00 74.43 C ATOM 1018 C ARG A 62 -4.314 9.421 -11.920 1.00 0.23 C ATOM 1019 O ARG A 62 -4.741 8.738 -10.988 1.00 13.21 O ATOM 1020 CB ARG A 62 -2.976 11.394 -11.106 1.00 2.51 C ATOM 1021 CG ARG A 62 -1.596 11.897 -10.699 1.00 72.33 C ATOM 1022 CD ARG A 62 -1.655 13.259 -10.035 1.00 2.41 C ATOM 1023 NE ARG A 62 -2.004 14.321 -10.977 1.00 21.00 N ATOM 1024 CZ ARG A 62 -2.982 15.198 -10.770 1.00 33.01 C ATOM 1025 NH1 ARG A 62 -3.738 15.108 -9.683 1.00 40.21 N ATOM 1026 NH2 ARG A 62 -3.207 16.167 -11.651 1.00 33.10 N ATOM 0 H ARG A 62 -2.170 11.212 -13.420 1.00 72.13 H new ATOM 0 HA ARG A 62 -2.291 9.371 -11.288 1.00 74.43 H new ATOM 0 HB2 ARG A 62 -3.455 12.138 -11.742 1.00 2.51 H new ATOM 0 HB3 ARG A 62 -3.596 11.289 -10.216 1.00 2.51 H new ATOM 0 HG2 ARG A 62 -1.137 11.182 -10.016 1.00 72.33 H new ATOM 0 HG3 ARG A 62 -0.957 11.952 -11.580 1.00 72.33 H new ATOM 0 HD2 ARG A 62 -2.388 13.236 -9.229 1.00 2.41 H new ATOM 0 HD3 ARG A 62 -0.689 13.482 -9.581 1.00 2.41 H new ATOM 0 HE ARG A 62 -1.467 14.393 -11.841 1.00 21.00 H new ATOM 0 HH11 ARG A 62 -3.569 14.365 -9.005 1.00 40.21 H new ATOM 0 HH12 ARG A 62 -4.488 15.782 -9.526 1.00 40.21 H new ATOM 0 HH21 ARG A 62 -2.629 16.239 -12.488 1.00 33.10 H new ATOM 0 HH22 ARG A 62 -3.958 16.838 -11.490 1.00 33.10 H new ATOM 1040 N ASN A 63 -5.011 9.643 -13.024 1.00 40.01 N ATOM 1041 CA ASN A 63 -6.289 8.984 -13.259 1.00 10.34 C ATOM 1042 C ASN A 63 -6.074 7.494 -13.511 1.00 51.01 C ATOM 1043 O ASN A 63 -6.762 6.654 -12.934 1.00 30.14 O ATOM 1044 CB ASN A 63 -7.020 9.624 -14.440 1.00 34.22 C ATOM 1045 CG ASN A 63 -8.314 8.910 -14.786 1.00 55.10 C ATOM 1046 OD1 ASN A 63 -8.341 8.028 -15.643 1.00 51.32 O ATOM 1047 ND2 ASN A 63 -9.395 9.270 -14.111 1.00 75.04 N ATOM 0 H ASN A 63 -4.715 10.272 -13.770 1.00 40.01 H new ATOM 0 HA ASN A 63 -6.908 9.105 -12.370 1.00 10.34 H new ATOM 0 HB2 ASN A 63 -7.237 10.666 -14.206 1.00 34.22 H new ATOM 0 HB3 ASN A 63 -6.365 9.622 -15.311 1.00 34.22 H new ATOM 0 HD21 ASN A 63 -10.287 8.811 -14.295 1.00 75.04 H new ATOM 0 HD22 ASN A 63 -9.335 10.006 -13.407 1.00 75.04 H new ATOM 1054 N ARG A 64 -5.093 7.174 -14.353 1.00 2.43 N ATOM 1055 CA ARG A 64 -4.763 5.784 -14.665 1.00 12.44 C ATOM 1056 C ARG A 64 -4.261 5.045 -13.426 1.00 55.23 C ATOM 1057 O ARG A 64 -4.601 3.882 -13.206 1.00 11.02 O ATOM 1058 CB ARG A 64 -3.702 5.722 -15.770 1.00 24.22 C ATOM 1059 CG ARG A 64 -4.235 6.041 -17.161 1.00 61.44 C ATOM 1060 CD ARG A 64 -5.183 4.961 -17.656 1.00 22.23 C ATOM 1061 NE ARG A 64 -4.535 3.652 -17.709 1.00 14.32 N ATOM 1062 CZ ARG A 64 -5.189 2.491 -17.668 1.00 54.34 C ATOM 1063 NH1 ARG A 64 -6.518 2.468 -17.709 1.00 2.21 N ATOM 1064 NH2 ARG A 64 -4.510 1.352 -17.627 1.00 75.55 N ATOM 0 H ARG A 64 -4.511 7.861 -14.833 1.00 2.43 H new ATOM 0 HA ARG A 64 -5.673 5.296 -15.013 1.00 12.44 H new ATOM 0 HB2 ARG A 64 -2.901 6.421 -15.530 1.00 24.22 H new ATOM 0 HB3 ARG A 64 -3.262 4.725 -15.781 1.00 24.22 H new ATOM 0 HG2 ARG A 64 -4.753 7.000 -17.142 1.00 61.44 H new ATOM 0 HG3 ARG A 64 -3.402 6.142 -17.857 1.00 61.44 H new ATOM 0 HD2 ARG A 64 -6.051 4.910 -16.999 1.00 22.23 H new ATOM 0 HD3 ARG A 64 -5.549 5.226 -18.648 1.00 22.23 H new ATOM 0 HE ARG A 64 -3.518 3.625 -17.782 1.00 14.32 H new ATOM 0 HH11 ARG A 64 -7.041 3.341 -17.772 1.00 2.21 H new ATOM 0 HH12 ARG A 64 -7.014 1.577 -17.677 1.00 2.21 H new ATOM 0 HH21 ARG A 64 -3.490 1.366 -17.627 1.00 75.55 H new ATOM 0 HH22 ARG A 64 -5.008 0.462 -17.596 1.00 75.55 H new ATOM 1078 N ILE A 65 -3.453 5.726 -12.622 1.00 31.21 N ATOM 1079 CA ILE A 65 -2.918 5.142 -11.395 1.00 73.34 C ATOM 1080 C ILE A 65 -4.049 4.759 -10.439 1.00 61.34 C ATOM 1081 O ILE A 65 -3.992 3.716 -9.782 1.00 22.21 O ATOM 1082 CB ILE A 65 -1.935 6.107 -10.684 1.00 74.25 C ATOM 1083 CG1 ILE A 65 -0.760 6.449 -11.608 1.00 23.44 C ATOM 1084 CG2 ILE A 65 -1.424 5.507 -9.380 1.00 40.42 C ATOM 1085 CD1 ILE A 65 0.050 5.243 -12.044 1.00 42.31 C ATOM 0 H ILE A 65 -3.153 6.685 -12.797 1.00 31.21 H new ATOM 0 HA ILE A 65 -2.369 4.244 -11.678 1.00 73.34 H new ATOM 0 HB ILE A 65 -2.475 7.024 -10.447 1.00 74.25 H new ATOM 0 HG12 ILE A 65 -1.143 6.957 -12.493 1.00 23.44 H new ATOM 0 HG13 ILE A 65 -0.101 7.151 -11.097 1.00 23.44 H new ATOM 0 HG21 ILE A 65 -0.737 6.205 -8.903 1.00 40.42 H new ATOM 0 HG22 ILE A 65 -2.265 5.314 -8.714 1.00 40.42 H new ATOM 0 HG23 ILE A 65 -0.904 4.572 -9.589 1.00 40.42 H new ATOM 0 HD11 ILE A 65 0.862 5.566 -12.695 1.00 42.31 H new ATOM 0 HD12 ILE A 65 0.464 4.746 -11.167 1.00 42.31 H new ATOM 0 HD13 ILE A 65 -0.593 4.549 -12.584 1.00 42.31 H new ATOM 1097 N LYS A 66 -5.095 5.580 -10.402 1.00 25.15 N ATOM 1098 CA LYS A 66 -6.239 5.316 -9.536 1.00 61.51 C ATOM 1099 C LYS A 66 -7.153 4.246 -10.125 1.00 21.15 C ATOM 1100 O LYS A 66 -8.163 3.893 -9.529 1.00 60.24 O ATOM 1101 CB LYS A 66 -7.044 6.591 -9.271 1.00 4.35 C ATOM 1102 CG LYS A 66 -6.345 7.578 -8.349 1.00 14.25 C ATOM 1103 CD LYS A 66 -7.287 8.684 -7.888 1.00 33.20 C ATOM 1104 CE LYS A 66 -7.725 9.579 -9.037 1.00 70.31 C ATOM 1105 NZ LYS A 66 -6.578 10.307 -9.638 1.00 53.24 N ATOM 0 H LYS A 66 -5.174 6.430 -10.960 1.00 25.15 H new ATOM 0 HA LYS A 66 -5.839 4.950 -8.590 1.00 61.51 H new ATOM 0 HB2 LYS A 66 -7.253 7.082 -10.222 1.00 4.35 H new ATOM 0 HB3 LYS A 66 -8.005 6.319 -8.835 1.00 4.35 H new ATOM 0 HG2 LYS A 66 -5.952 7.049 -7.481 1.00 14.25 H new ATOM 0 HG3 LYS A 66 -5.493 8.018 -8.866 1.00 14.25 H new ATOM 0 HD2 LYS A 66 -8.165 8.240 -7.420 1.00 33.20 H new ATOM 0 HD3 LYS A 66 -6.792 9.288 -7.127 1.00 33.20 H new ATOM 0 HE2 LYS A 66 -8.213 8.975 -9.802 1.00 70.31 H new ATOM 0 HE3 LYS A 66 -8.463 10.296 -8.678 1.00 70.31 H new ATOM 0 HZ1 LYS A 66 -6.931 11.017 -10.311 1.00 53.24 H new ATOM 0 HZ2 LYS A 66 -6.036 10.781 -8.888 1.00 53.24 H new ATOM 0 HZ3 LYS A 66 -5.962 9.633 -10.137 1.00 53.24 H new ATOM 1119 N ARG A 67 -6.808 3.743 -11.299 1.00 15.23 N ATOM 1120 CA ARG A 67 -7.554 2.641 -11.891 1.00 75.42 C ATOM 1121 C ARG A 67 -6.823 1.329 -11.647 1.00 2.04 C ATOM 1122 O ARG A 67 -7.444 0.291 -11.421 1.00 44.33 O ATOM 1123 CB ARG A 67 -7.738 2.842 -13.395 1.00 53.41 C ATOM 1124 CG ARG A 67 -8.479 4.114 -13.774 1.00 44.54 C ATOM 1125 CD ARG A 67 -8.702 4.180 -15.274 1.00 63.42 C ATOM 1126 NE ARG A 67 -9.321 5.434 -15.697 1.00 52.41 N ATOM 1127 CZ ARG A 67 -10.372 5.498 -16.513 1.00 42.24 C ATOM 1128 NH1 ARG A 67 -10.980 4.388 -16.909 1.00 61.24 N ATOM 1129 NH2 ARG A 67 -10.830 6.673 -16.925 1.00 71.25 N ATOM 0 H ARG A 67 -6.023 4.076 -11.858 1.00 15.23 H new ATOM 0 HA ARG A 67 -8.537 2.612 -11.421 1.00 75.42 H new ATOM 0 HB2 ARG A 67 -6.757 2.852 -13.870 1.00 53.41 H new ATOM 0 HB3 ARG A 67 -8.279 1.987 -13.800 1.00 53.41 H new ATOM 0 HG2 ARG A 67 -9.438 4.150 -13.257 1.00 44.54 H new ATOM 0 HG3 ARG A 67 -7.909 4.984 -13.448 1.00 44.54 H new ATOM 0 HD2 ARG A 67 -7.747 4.061 -15.785 1.00 63.42 H new ATOM 0 HD3 ARG A 67 -9.334 3.346 -15.580 1.00 63.42 H new ATOM 0 HE ARG A 67 -8.927 6.308 -15.349 1.00 52.41 H new ATOM 0 HH11 ARG A 67 -10.643 3.480 -16.589 1.00 61.24 H new ATOM 0 HH12 ARG A 67 -11.784 4.442 -17.534 1.00 61.24 H new ATOM 0 HH21 ARG A 67 -10.377 7.533 -16.617 1.00 71.25 H new ATOM 0 HH22 ARG A 67 -11.635 6.716 -17.550 1.00 71.25 H new ATOM 1143 N LEU A 68 -5.499 1.386 -11.702 1.00 40.11 N ATOM 1144 CA LEU A 68 -4.668 0.201 -11.535 1.00 11.44 C ATOM 1145 C LEU A 68 -4.683 -0.256 -10.078 1.00 2.45 C ATOM 1146 O LEU A 68 -5.082 -1.381 -9.773 1.00 61.42 O ATOM 1147 CB LEU A 68 -3.232 0.508 -11.999 1.00 74.43 C ATOM 1148 CG LEU A 68 -2.313 -0.698 -12.261 1.00 5.13 C ATOM 1149 CD1 LEU A 68 -1.861 -1.352 -10.964 1.00 31.43 C ATOM 1150 CD2 LEU A 68 -3.010 -1.717 -13.151 1.00 70.32 C ATOM 0 H LEU A 68 -4.975 2.246 -11.862 1.00 40.11 H new ATOM 0 HA LEU A 68 -5.068 -0.609 -12.146 1.00 11.44 H new ATOM 0 HB2 LEU A 68 -3.290 1.096 -12.915 1.00 74.43 H new ATOM 0 HB3 LEU A 68 -2.759 1.138 -11.245 1.00 74.43 H new ATOM 0 HG LEU A 68 -1.425 -0.328 -12.774 1.00 5.13 H new ATOM 0 HD11 LEU A 68 -1.214 -2.199 -11.190 1.00 31.43 H new ATOM 0 HD12 LEU A 68 -1.313 -0.627 -10.363 1.00 31.43 H new ATOM 0 HD13 LEU A 68 -2.732 -1.699 -10.409 1.00 31.43 H new ATOM 0 HD21 LEU A 68 -2.345 -2.563 -13.326 1.00 70.32 H new ATOM 0 HD22 LEU A 68 -3.920 -2.065 -12.662 1.00 70.32 H new ATOM 0 HD23 LEU A 68 -3.265 -1.254 -14.104 1.00 70.32 H new ATOM 1162 N THR A 69 -4.275 0.634 -9.185 1.00 21.43 N ATOM 1163 CA THR A 69 -4.135 0.297 -7.774 1.00 43.55 C ATOM 1164 C THR A 69 -5.489 0.032 -7.120 1.00 32.31 C ATOM 1165 O THR A 69 -5.608 -0.806 -6.226 1.00 43.25 O ATOM 1166 CB THR A 69 -3.407 1.421 -7.011 1.00 75.14 C ATOM 1167 OG1 THR A 69 -4.061 2.676 -7.246 1.00 45.11 O ATOM 1168 CG2 THR A 69 -1.950 1.515 -7.442 1.00 43.34 C ATOM 0 H THR A 69 -4.034 1.599 -9.413 1.00 21.43 H new ATOM 0 HA THR A 69 -3.542 -0.616 -7.722 1.00 43.55 H new ATOM 0 HB THR A 69 -3.440 1.187 -5.947 1.00 75.14 H new ATOM 0 HG1 THR A 69 -3.838 2.998 -8.144 1.00 45.11 H new ATOM 0 HG21 THR A 69 -1.458 2.315 -6.889 1.00 43.34 H new ATOM 0 HG22 THR A 69 -1.448 0.570 -7.236 1.00 43.34 H new ATOM 0 HG23 THR A 69 -1.899 1.727 -8.510 1.00 43.34 H new ATOM 1176 N ARG A 70 -6.510 0.733 -7.588 1.00 11.50 N ATOM 1177 CA ARG A 70 -7.840 0.628 -7.005 1.00 1.45 C ATOM 1178 C ARG A 70 -8.488 -0.703 -7.377 1.00 50.24 C ATOM 1179 O ARG A 70 -9.415 -1.162 -6.711 1.00 74.34 O ATOM 1180 CB ARG A 70 -8.710 1.792 -7.486 1.00 41.13 C ATOM 1181 CG ARG A 70 -9.866 2.143 -6.561 1.00 32.21 C ATOM 1182 CD ARG A 70 -10.614 3.369 -7.065 1.00 25.31 C ATOM 1183 NE ARG A 70 -11.538 3.900 -6.062 1.00 74.01 N ATOM 1184 CZ ARG A 70 -11.911 5.181 -5.995 1.00 51.24 C ATOM 1185 NH1 ARG A 70 -11.523 6.043 -6.927 1.00 20.25 N ATOM 1186 NH2 ARG A 70 -12.704 5.593 -5.018 1.00 70.21 N ATOM 0 H ARG A 70 -6.443 1.382 -8.372 1.00 11.50 H new ATOM 0 HA ARG A 70 -7.750 0.673 -5.920 1.00 1.45 H new ATOM 0 HB2 ARG A 70 -8.080 2.673 -7.609 1.00 41.13 H new ATOM 0 HB3 ARG A 70 -9.110 1.547 -8.470 1.00 41.13 H new ATOM 0 HG2 ARG A 70 -10.551 1.298 -6.492 1.00 32.21 H new ATOM 0 HG3 ARG A 70 -9.488 2.331 -5.556 1.00 32.21 H new ATOM 0 HD2 ARG A 70 -9.897 4.142 -7.342 1.00 25.31 H new ATOM 0 HD3 ARG A 70 -11.168 3.110 -7.967 1.00 25.31 H new ATOM 0 HE ARG A 70 -11.920 3.253 -5.372 1.00 74.01 H new ATOM 0 HH11 ARG A 70 -10.937 5.729 -7.700 1.00 20.25 H new ATOM 0 HH12 ARG A 70 -11.811 7.020 -6.870 1.00 20.25 H new ATOM 0 HH21 ARG A 70 -13.032 4.932 -4.314 1.00 70.21 H new ATOM 0 HH22 ARG A 70 -12.987 6.572 -4.969 1.00 70.21 H new ATOM 1200 N GLU A 71 -7.992 -1.329 -8.440 1.00 21.11 N ATOM 1201 CA GLU A 71 -8.553 -2.587 -8.905 1.00 30.23 C ATOM 1202 C GLU A 71 -7.741 -3.771 -8.386 1.00 22.32 C ATOM 1203 O GLU A 71 -8.281 -4.855 -8.182 1.00 32.12 O ATOM 1204 CB GLU A 71 -8.617 -2.612 -10.435 1.00 31.45 C ATOM 1205 CG GLU A 71 -9.366 -3.812 -10.992 1.00 32.21 C ATOM 1206 CD GLU A 71 -9.432 -3.814 -12.505 1.00 65.13 C ATOM 1207 OE1 GLU A 71 -8.519 -4.369 -13.142 1.00 41.01 O ATOM 1208 OE2 GLU A 71 -10.404 -3.263 -13.063 1.00 42.01 O ATOM 0 H GLU A 71 -7.206 -0.985 -8.992 1.00 21.11 H new ATOM 0 HA GLU A 71 -9.566 -2.672 -8.513 1.00 30.23 H new ATOM 0 HB2 GLU A 71 -9.098 -1.699 -10.785 1.00 31.45 H new ATOM 0 HB3 GLU A 71 -7.602 -2.610 -10.833 1.00 31.45 H new ATOM 0 HG2 GLU A 71 -8.880 -4.727 -10.653 1.00 32.21 H new ATOM 0 HG3 GLU A 71 -10.379 -3.821 -10.589 1.00 32.21 H new ATOM 1215 N SER A 72 -6.450 -3.563 -8.155 1.00 33.30 N ATOM 1216 CA SER A 72 -5.587 -4.634 -7.670 1.00 41.13 C ATOM 1217 C SER A 72 -5.968 -5.038 -6.247 1.00 51.42 C ATOM 1218 O SER A 72 -6.098 -6.226 -5.942 1.00 42.04 O ATOM 1219 CB SER A 72 -4.123 -4.199 -7.742 1.00 52.05 C ATOM 1220 OG SER A 72 -3.941 -2.915 -7.171 1.00 64.23 O ATOM 0 H SER A 72 -5.980 -2.669 -8.295 1.00 33.30 H new ATOM 0 HA SER A 72 -5.722 -5.507 -8.309 1.00 41.13 H new ATOM 0 HB2 SER A 72 -3.499 -4.924 -7.219 1.00 52.05 H new ATOM 0 HB3 SER A 72 -3.795 -4.187 -8.781 1.00 52.05 H new ATOM 0 HG SER A 72 -3.912 -2.992 -6.195 1.00 64.23 H new ATOM 1226 N PHE A 73 -6.186 -4.046 -5.390 1.00 64.12 N ATOM 1227 CA PHE A 73 -6.599 -4.299 -4.015 1.00 41.31 C ATOM 1228 C PHE A 73 -8.051 -4.769 -3.961 1.00 33.25 C ATOM 1229 O PHE A 73 -8.525 -5.246 -2.932 1.00 42.21 O ATOM 1230 CB PHE A 73 -6.420 -3.042 -3.158 1.00 51.41 C ATOM 1231 CG PHE A 73 -4.986 -2.741 -2.826 1.00 65.00 C ATOM 1232 CD1 PHE A 73 -4.153 -2.139 -3.756 1.00 5.51 C ATOM 1233 CD2 PHE A 73 -4.469 -3.066 -1.582 1.00 34.31 C ATOM 1234 CE1 PHE A 73 -2.834 -1.868 -3.452 1.00 54.35 C ATOM 1235 CE2 PHE A 73 -3.150 -2.798 -1.271 1.00 74.10 C ATOM 1236 CZ PHE A 73 -2.331 -2.199 -2.209 1.00 22.21 C ATOM 0 H PHE A 73 -6.083 -3.059 -5.624 1.00 64.12 H new ATOM 0 HA PHE A 73 -5.965 -5.090 -3.614 1.00 41.31 H new ATOM 0 HB2 PHE A 73 -6.849 -2.189 -3.684 1.00 51.41 H new ATOM 0 HB3 PHE A 73 -6.982 -3.161 -2.231 1.00 51.41 H new ATOM 0 HD1 PHE A 73 -4.540 -1.879 -4.730 1.00 5.51 H new ATOM 0 HD2 PHE A 73 -5.105 -3.535 -0.846 1.00 34.31 H new ATOM 0 HE1 PHE A 73 -2.196 -1.398 -4.185 1.00 54.35 H new ATOM 0 HE2 PHE A 73 -2.760 -3.056 -0.297 1.00 74.10 H new ATOM 0 HZ PHE A 73 -1.299 -1.990 -1.970 1.00 22.21 H new ATOM 1246 N ARG A 74 -8.744 -4.640 -5.086 1.00 20.22 N ATOM 1247 CA ARG A 74 -10.142 -5.036 -5.183 1.00 20.43 C ATOM 1248 C ARG A 74 -10.265 -6.384 -5.896 1.00 33.50 C ATOM 1249 O ARG A 74 -11.351 -6.956 -5.997 1.00 13.34 O ATOM 1250 CB ARG A 74 -10.927 -3.964 -5.946 1.00 22.21 C ATOM 1251 CG ARG A 74 -12.432 -4.164 -5.931 1.00 23.13 C ATOM 1252 CD ARG A 74 -13.122 -3.232 -6.911 1.00 11.30 C ATOM 1253 NE ARG A 74 -14.577 -3.366 -6.872 1.00 22.11 N ATOM 1254 CZ ARG A 74 -15.276 -4.159 -7.682 1.00 75.11 C ATOM 1255 NH1 ARG A 74 -14.656 -4.968 -8.534 1.00 51.01 N ATOM 1256 NH2 ARG A 74 -16.597 -4.149 -7.628 1.00 4.30 N ATOM 0 H ARG A 74 -8.356 -4.261 -5.950 1.00 20.22 H new ATOM 0 HA ARG A 74 -10.553 -5.137 -4.179 1.00 20.43 H new ATOM 0 HB2 ARG A 74 -10.697 -2.988 -5.518 1.00 22.21 H new ATOM 0 HB3 ARG A 74 -10.585 -3.947 -6.981 1.00 22.21 H new ATOM 0 HG2 ARG A 74 -12.666 -5.198 -6.183 1.00 23.13 H new ATOM 0 HG3 ARG A 74 -12.815 -3.986 -4.926 1.00 23.13 H new ATOM 0 HD2 ARG A 74 -12.848 -2.202 -6.684 1.00 11.30 H new ATOM 0 HD3 ARG A 74 -12.767 -3.441 -7.920 1.00 11.30 H new ATOM 0 HE ARG A 74 -15.089 -2.818 -6.181 1.00 22.11 H new ATOM 0 HH11 ARG A 74 -13.637 -4.985 -8.571 1.00 51.01 H new ATOM 0 HH12 ARG A 74 -15.199 -5.572 -9.151 1.00 51.01 H new ATOM 0 HH21 ARG A 74 -17.076 -3.536 -6.968 1.00 4.30 H new ATOM 0 HH22 ARG A 74 -17.137 -4.754 -8.246 1.00 4.30 H new ATOM 1270 N LEU A 75 -9.145 -6.883 -6.396 1.00 54.32 N ATOM 1271 CA LEU A 75 -9.131 -8.134 -7.136 1.00 43.24 C ATOM 1272 C LEU A 75 -9.210 -9.316 -6.181 1.00 1.11 C ATOM 1273 O LEU A 75 -10.119 -10.141 -6.264 1.00 64.15 O ATOM 1274 CB LEU A 75 -7.864 -8.230 -7.990 1.00 53.52 C ATOM 1275 CG LEU A 75 -7.737 -9.509 -8.825 1.00 10.10 C ATOM 1276 CD1 LEU A 75 -8.858 -9.597 -9.849 1.00 42.11 C ATOM 1277 CD2 LEU A 75 -6.380 -9.566 -9.511 1.00 2.21 C ATOM 0 H LEU A 75 -8.232 -6.439 -6.302 1.00 54.32 H new ATOM 0 HA LEU A 75 -10.000 -8.158 -7.793 1.00 43.24 H new ATOM 0 HB2 LEU A 75 -7.831 -7.372 -8.661 1.00 53.52 H new ATOM 0 HB3 LEU A 75 -6.996 -8.155 -7.334 1.00 53.52 H new ATOM 0 HG LEU A 75 -7.820 -10.364 -8.155 1.00 10.10 H new ATOM 0 HD11 LEU A 75 -8.748 -10.512 -10.431 1.00 42.11 H new ATOM 0 HD12 LEU A 75 -9.820 -9.606 -9.336 1.00 42.11 H new ATOM 0 HD13 LEU A 75 -8.810 -8.736 -10.515 1.00 42.11 H new ATOM 0 HD21 LEU A 75 -6.308 -10.481 -10.099 1.00 2.21 H new ATOM 0 HD22 LEU A 75 -6.267 -8.703 -10.167 1.00 2.21 H new ATOM 0 HD23 LEU A 75 -5.591 -9.555 -8.759 1.00 2.21 H new ATOM 1289 N ARG A 76 -8.246 -9.396 -5.278 1.00 53.32 N ATOM 1290 CA ARG A 76 -8.214 -10.470 -4.301 1.00 22.12 C ATOM 1291 C ARG A 76 -8.029 -9.912 -2.900 1.00 62.21 C ATOM 1292 O ARG A 76 -6.937 -9.959 -2.335 1.00 45.53 O ATOM 1293 CB ARG A 76 -7.104 -11.470 -4.624 1.00 40.02 C ATOM 1294 CG ARG A 76 -7.334 -12.246 -5.911 1.00 30.23 C ATOM 1295 CD ARG A 76 -6.338 -13.384 -6.055 1.00 23.41 C ATOM 1296 NE ARG A 76 -6.407 -14.318 -4.928 1.00 64.51 N ATOM 1297 CZ ARG A 76 -6.704 -15.614 -5.043 1.00 31.40 C ATOM 1298 NH1 ARG A 76 -7.011 -16.124 -6.231 1.00 11.44 N ATOM 1299 NH2 ARG A 76 -6.705 -16.394 -3.965 1.00 21.12 N ATOM 0 H ARG A 76 -7.477 -8.731 -5.202 1.00 53.32 H new ATOM 0 HA ARG A 76 -9.169 -10.993 -4.345 1.00 22.12 H new ATOM 0 HB2 ARG A 76 -6.156 -10.936 -4.697 1.00 40.02 H new ATOM 0 HB3 ARG A 76 -7.010 -12.174 -3.798 1.00 40.02 H new ATOM 0 HG2 ARG A 76 -8.349 -12.644 -5.922 1.00 30.23 H new ATOM 0 HG3 ARG A 76 -7.247 -11.573 -6.764 1.00 30.23 H new ATOM 0 HD2 ARG A 76 -6.532 -13.921 -6.984 1.00 23.41 H new ATOM 0 HD3 ARG A 76 -5.330 -12.977 -6.127 1.00 23.41 H new ATOM 0 HE ARG A 76 -6.216 -13.954 -3.995 1.00 64.51 H new ATOM 0 HH11 ARG A 76 -7.020 -15.525 -7.056 1.00 11.44 H new ATOM 0 HH12 ARG A 76 -7.238 -17.115 -6.318 1.00 11.44 H new ATOM 0 HH21 ARG A 76 -6.479 -16.001 -3.051 1.00 21.12 H new ATOM 0 HH22 ARG A 76 -6.932 -17.385 -4.052 1.00 21.12 H new ATOM 1313 N GLN A 77 -9.106 -9.375 -2.345 1.00 52.41 N ATOM 1314 CA GLN A 77 -9.062 -8.755 -1.027 1.00 2.13 C ATOM 1315 C GLN A 77 -8.996 -9.798 0.092 1.00 63.24 C ATOM 1316 O GLN A 77 -9.003 -9.452 1.271 1.00 61.31 O ATOM 1317 CB GLN A 77 -10.262 -7.822 -0.813 1.00 3.03 C ATOM 1318 CG GLN A 77 -11.629 -8.479 -0.980 1.00 11.25 C ATOM 1319 CD GLN A 77 -12.127 -8.485 -2.417 1.00 2.32 C ATOM 1320 OE1 GLN A 77 -12.731 -7.514 -2.873 1.00 15.14 O ATOM 1321 NE2 GLN A 77 -11.930 -9.590 -3.123 1.00 33.21 N ATOM 0 H GLN A 77 -10.024 -9.356 -2.788 1.00 52.41 H new ATOM 0 HA GLN A 77 -8.148 -8.162 -0.986 1.00 2.13 H new ATOM 0 HB2 GLN A 77 -10.199 -7.399 0.189 1.00 3.03 H new ATOM 0 HB3 GLN A 77 -10.187 -6.992 -1.515 1.00 3.03 H new ATOM 0 HG2 GLN A 77 -11.577 -9.506 -0.618 1.00 11.25 H new ATOM 0 HG3 GLN A 77 -12.353 -7.957 -0.355 1.00 11.25 H new ATOM 0 HE21 GLN A 77 -11.425 -10.375 -2.712 1.00 33.21 H new ATOM 0 HE22 GLN A 77 -12.284 -9.655 -4.077 1.00 33.21 H new ATOM 1330 N HIS A 78 -8.936 -11.072 -0.274 1.00 55.52 N ATOM 1331 CA HIS A 78 -8.766 -12.131 0.712 1.00 45.31 C ATOM 1332 C HIS A 78 -7.279 -12.393 0.935 1.00 75.54 C ATOM 1333 O HIS A 78 -6.890 -13.083 1.876 1.00 72.12 O ATOM 1334 CB HIS A 78 -9.485 -13.409 0.264 1.00 14.32 C ATOM 1335 CG HIS A 78 -9.530 -14.481 1.309 1.00 22.22 C ATOM 1336 ND1 HIS A 78 -9.234 -15.797 1.043 1.00 44.24 N ATOM 1337 CD2 HIS A 78 -9.849 -14.427 2.625 1.00 24.02 C ATOM 1338 CE1 HIS A 78 -9.366 -16.507 2.147 1.00 13.23 C ATOM 1339 NE2 HIS A 78 -9.736 -15.700 3.121 1.00 5.20 N ATOM 0 H HIS A 78 -9.002 -11.395 -1.239 1.00 55.52 H new ATOM 0 HA HIS A 78 -9.211 -11.812 1.655 1.00 45.31 H new ATOM 0 HB2 HIS A 78 -10.505 -13.157 -0.027 1.00 14.32 H new ATOM 0 HB3 HIS A 78 -8.988 -13.801 -0.623 1.00 14.32 H new ATOM 0 HD2 HIS A 78 -10.138 -13.546 3.179 1.00 24.02 H new ATOM 0 HE1 HIS A 78 -9.199 -17.570 2.237 1.00 13.23 H new ATOM 0 HE2 HIS A 78 -9.910 -15.978 4.087 1.00 5.20 H new ATOM 1348 N GLU A 79 -6.451 -11.827 0.065 1.00 32.22 N ATOM 1349 CA GLU A 79 -5.002 -11.885 0.234 1.00 74.44 C ATOM 1350 C GLU A 79 -4.534 -10.628 0.960 1.00 50.14 C ATOM 1351 O GLU A 79 -3.334 -10.336 1.042 1.00 31.40 O ATOM 1352 CB GLU A 79 -4.293 -11.978 -1.121 1.00 10.30 C ATOM 1353 CG GLU A 79 -4.880 -13.008 -2.074 1.00 62.40 C ATOM 1354 CD GLU A 79 -4.962 -14.399 -1.484 1.00 0.24 C ATOM 1355 OE1 GLU A 79 -3.937 -14.908 -0.991 1.00 40.42 O ATOM 1356 OE2 GLU A 79 -6.053 -15.009 -1.538 1.00 55.44 O ATOM 0 H GLU A 79 -6.758 -11.322 -0.766 1.00 32.22 H new ATOM 0 HA GLU A 79 -4.755 -12.774 0.814 1.00 74.44 H new ATOM 0 HB2 GLU A 79 -4.324 -11.000 -1.600 1.00 10.30 H new ATOM 0 HB3 GLU A 79 -3.243 -12.216 -0.951 1.00 10.30 H new ATOM 0 HG2 GLU A 79 -5.879 -12.689 -2.371 1.00 62.40 H new ATOM 0 HG3 GLU A 79 -4.273 -13.041 -2.979 1.00 62.40 H new ATOM 1363 N LEU A 80 -5.501 -9.890 1.482 1.00 41.42 N ATOM 1364 CA LEU A 80 -5.256 -8.599 2.096 1.00 21.33 C ATOM 1365 C LEU A 80 -5.960 -8.513 3.447 1.00 23.32 C ATOM 1366 O LEU A 80 -7.160 -8.762 3.539 1.00 23.03 O ATOM 1367 CB LEU A 80 -5.785 -7.496 1.171 1.00 72.14 C ATOM 1368 CG LEU A 80 -5.491 -6.063 1.611 1.00 55.31 C ATOM 1369 CD1 LEU A 80 -4.029 -5.731 1.380 1.00 31.22 C ATOM 1370 CD2 LEU A 80 -6.387 -5.081 0.872 1.00 51.41 C ATOM 0 H LEU A 80 -6.481 -10.173 1.491 1.00 41.42 H new ATOM 0 HA LEU A 80 -4.184 -8.473 2.251 1.00 21.33 H new ATOM 0 HB2 LEU A 80 -5.361 -7.646 0.178 1.00 72.14 H new ATOM 0 HB3 LEU A 80 -6.865 -7.613 1.077 1.00 72.14 H new ATOM 0 HG LEU A 80 -5.701 -5.978 2.677 1.00 55.31 H new ATOM 0 HD11 LEU A 80 -3.834 -4.707 1.698 1.00 31.22 H new ATOM 0 HD12 LEU A 80 -3.405 -6.415 1.956 1.00 31.22 H new ATOM 0 HD13 LEU A 80 -3.796 -5.832 0.320 1.00 31.22 H new ATOM 0 HD21 LEU A 80 -6.162 -4.066 1.199 1.00 51.41 H new ATOM 0 HD22 LEU A 80 -6.211 -5.164 -0.200 1.00 51.41 H new ATOM 0 HD23 LEU A 80 -7.431 -5.309 1.087 1.00 51.41 H new ATOM 1382 N PRO A 81 -5.220 -8.199 4.521 1.00 62.05 N ATOM 1383 CA PRO A 81 -5.818 -7.925 5.828 1.00 72.01 C ATOM 1384 C PRO A 81 -6.707 -6.690 5.767 1.00 54.50 C ATOM 1385 O PRO A 81 -6.350 -5.692 5.138 1.00 32.55 O ATOM 1386 CB PRO A 81 -4.612 -7.679 6.746 1.00 62.13 C ATOM 1387 CG PRO A 81 -3.443 -8.249 6.016 1.00 32.02 C ATOM 1388 CD PRO A 81 -3.758 -8.103 4.556 1.00 22.12 C ATOM 0 HA PRO A 81 -6.452 -8.740 6.177 1.00 72.01 H new ATOM 0 HB2 PRO A 81 -4.475 -6.615 6.940 1.00 62.13 H new ATOM 0 HB3 PRO A 81 -4.747 -8.164 7.713 1.00 62.13 H new ATOM 0 HG2 PRO A 81 -2.526 -7.719 6.273 1.00 32.02 H new ATOM 0 HG3 PRO A 81 -3.290 -9.296 6.280 1.00 32.02 H new ATOM 0 HD2 PRO A 81 -3.407 -7.150 4.161 1.00 22.12 H new ATOM 0 HD3 PRO A 81 -3.288 -8.887 3.962 1.00 22.12 H new ATOM 1396 N ALA A 82 -7.862 -6.760 6.408 1.00 72.05 N ATOM 1397 CA ALA A 82 -8.838 -5.684 6.330 1.00 33.34 C ATOM 1398 C ALA A 82 -8.437 -4.486 7.190 1.00 44.04 C ATOM 1399 O ALA A 82 -8.825 -4.381 8.359 1.00 50.35 O ATOM 1400 CB ALA A 82 -10.214 -6.191 6.717 1.00 22.24 C ATOM 0 H ALA A 82 -8.147 -7.549 6.988 1.00 72.05 H new ATOM 0 HA ALA A 82 -8.869 -5.340 5.296 1.00 33.34 H new ATOM 0 HB1 ALA A 82 -10.934 -5.375 6.654 1.00 22.24 H new ATOM 0 HB2 ALA A 82 -10.511 -6.990 6.038 1.00 22.24 H new ATOM 0 HB3 ALA A 82 -10.187 -6.573 7.738 1.00 22.24 H new ATOM 1406 N MET A 83 -7.643 -3.602 6.599 1.00 54.24 N ATOM 1407 CA MET A 83 -7.213 -2.373 7.253 1.00 2.13 C ATOM 1408 C MET A 83 -6.810 -1.347 6.195 1.00 32.54 C ATOM 1409 O MET A 83 -6.912 -1.619 4.995 1.00 33.00 O ATOM 1410 CB MET A 83 -6.036 -2.645 8.201 1.00 14.22 C ATOM 1411 CG MET A 83 -4.734 -2.988 7.490 1.00 42.33 C ATOM 1412 SD MET A 83 -3.402 -3.424 8.627 1.00 4.13 S ATOM 1413 CE MET A 83 -4.006 -4.977 9.280 1.00 10.03 C ATOM 0 H MET A 83 -7.279 -3.717 5.653 1.00 54.24 H new ATOM 0 HA MET A 83 -8.041 -1.980 7.843 1.00 2.13 H new ATOM 0 HB2 MET A 83 -5.876 -1.767 8.826 1.00 14.22 H new ATOM 0 HB3 MET A 83 -6.302 -3.466 8.867 1.00 14.22 H new ATOM 0 HG2 MET A 83 -4.908 -3.820 6.807 1.00 42.33 H new ATOM 0 HG3 MET A 83 -4.423 -2.137 6.884 1.00 42.33 H new ATOM 0 HE1 MET A 83 -3.973 -4.951 10.369 1.00 10.03 H new ATOM 0 HE2 MET A 83 -5.033 -5.135 8.951 1.00 10.03 H new ATOM 0 HE3 MET A 83 -3.380 -5.792 8.918 1.00 10.03 H new ATOM 1423 N ASP A 84 -6.367 -0.177 6.636 1.00 31.31 N ATOM 1424 CA ASP A 84 -5.897 0.858 5.720 1.00 11.44 C ATOM 1425 C ASP A 84 -4.450 0.605 5.311 1.00 22.14 C ATOM 1426 O ASP A 84 -3.554 0.569 6.155 1.00 54.44 O ATOM 1427 CB ASP A 84 -6.010 2.250 6.355 1.00 45.22 C ATOM 1428 CG ASP A 84 -7.391 2.863 6.217 1.00 55.43 C ATOM 1429 OD1 ASP A 84 -7.747 3.283 5.096 1.00 61.14 O ATOM 1430 OD2 ASP A 84 -8.114 2.965 7.233 1.00 31.32 O ATOM 0 H ASP A 84 -6.323 0.081 7.622 1.00 31.31 H new ATOM 0 HA ASP A 84 -6.531 0.821 4.834 1.00 11.44 H new ATOM 0 HB2 ASP A 84 -5.755 2.181 7.412 1.00 45.22 H new ATOM 0 HB3 ASP A 84 -5.278 2.913 5.893 1.00 45.22 H new ATOM 1435 N PHE A 85 -4.228 0.424 4.016 1.00 71.04 N ATOM 1436 CA PHE A 85 -2.879 0.242 3.490 1.00 62.44 C ATOM 1437 C PHE A 85 -2.472 1.433 2.639 1.00 44.11 C ATOM 1438 O PHE A 85 -3.233 1.884 1.785 1.00 11.31 O ATOM 1439 CB PHE A 85 -2.776 -1.039 2.663 1.00 70.41 C ATOM 1440 CG PHE A 85 -2.651 -2.284 3.490 1.00 51.35 C ATOM 1441 CD1 PHE A 85 -1.415 -2.685 3.970 1.00 62.55 C ATOM 1442 CD2 PHE A 85 -3.760 -3.058 3.779 1.00 72.31 C ATOM 1443 CE1 PHE A 85 -1.287 -3.835 4.724 1.00 54.45 C ATOM 1444 CE2 PHE A 85 -3.639 -4.209 4.535 1.00 45.03 C ATOM 1445 CZ PHE A 85 -2.401 -4.598 5.007 1.00 72.43 C ATOM 0 H PHE A 85 -4.963 0.399 3.310 1.00 71.04 H new ATOM 0 HA PHE A 85 -2.202 0.161 4.341 1.00 62.44 H new ATOM 0 HB2 PHE A 85 -3.658 -1.123 2.028 1.00 70.41 H new ATOM 0 HB3 PHE A 85 -1.913 -0.965 2.001 1.00 70.41 H new ATOM 0 HD1 PHE A 85 -0.540 -2.091 3.752 1.00 62.55 H new ATOM 0 HD2 PHE A 85 -4.730 -2.760 3.410 1.00 72.31 H new ATOM 0 HE1 PHE A 85 -0.317 -4.136 5.091 1.00 54.45 H new ATOM 0 HE2 PHE A 85 -4.513 -4.804 4.756 1.00 45.03 H new ATOM 0 HZ PHE A 85 -2.305 -5.498 5.597 1.00 72.43 H new ATOM 1455 N VAL A 86 -1.267 1.931 2.872 1.00 42.44 N ATOM 1456 CA VAL A 86 -0.764 3.098 2.164 1.00 5.41 C ATOM 1457 C VAL A 86 0.066 2.680 0.957 1.00 14.34 C ATOM 1458 O VAL A 86 1.087 2.008 1.092 1.00 1.42 O ATOM 1459 CB VAL A 86 0.091 3.986 3.092 1.00 35.33 C ATOM 1460 CG1 VAL A 86 0.677 5.166 2.335 1.00 62.42 C ATOM 1461 CG2 VAL A 86 -0.735 4.474 4.268 1.00 30.14 C ATOM 0 H VAL A 86 -0.615 1.541 3.552 1.00 42.44 H new ATOM 0 HA VAL A 86 -1.627 3.672 1.825 1.00 5.41 H new ATOM 0 HB VAL A 86 0.916 3.381 3.468 1.00 35.33 H new ATOM 0 HG11 VAL A 86 1.274 5.774 3.015 1.00 62.42 H new ATOM 0 HG12 VAL A 86 1.308 4.801 1.524 1.00 62.42 H new ATOM 0 HG13 VAL A 86 -0.130 5.771 1.922 1.00 62.42 H new ATOM 0 HG21 VAL A 86 -0.117 5.099 4.913 1.00 30.14 H new ATOM 0 HG22 VAL A 86 -1.581 5.056 3.902 1.00 30.14 H new ATOM 0 HG23 VAL A 86 -1.101 3.618 4.835 1.00 30.14 H new ATOM 1471 N VAL A 87 -0.379 3.082 -0.221 1.00 63.40 N ATOM 1472 CA VAL A 87 0.314 2.752 -1.453 1.00 31.24 C ATOM 1473 C VAL A 87 1.138 3.942 -1.922 1.00 14.23 C ATOM 1474 O VAL A 87 0.593 4.931 -2.415 1.00 65.13 O ATOM 1475 CB VAL A 87 -0.675 2.341 -2.564 1.00 42.20 C ATOM 1476 CG1 VAL A 87 0.070 1.883 -3.807 1.00 41.24 C ATOM 1477 CG2 VAL A 87 -1.615 1.253 -2.068 1.00 33.03 C ATOM 0 H VAL A 87 -1.223 3.641 -0.350 1.00 63.40 H new ATOM 0 HA VAL A 87 0.970 1.906 -1.249 1.00 31.24 H new ATOM 0 HB VAL A 87 -1.272 3.214 -2.829 1.00 42.20 H new ATOM 0 HG11 VAL A 87 -0.647 1.598 -4.577 1.00 41.24 H new ATOM 0 HG12 VAL A 87 0.695 2.696 -4.177 1.00 41.24 H new ATOM 0 HG13 VAL A 87 0.697 1.026 -3.560 1.00 41.24 H new ATOM 0 HG21 VAL A 87 -2.305 0.977 -2.866 1.00 33.03 H new ATOM 0 HG22 VAL A 87 -1.035 0.379 -1.771 1.00 33.03 H new ATOM 0 HG23 VAL A 87 -2.180 1.622 -1.212 1.00 33.03 H new ATOM 1487 N VAL A 88 2.445 3.854 -1.746 1.00 70.03 N ATOM 1488 CA VAL A 88 3.339 4.934 -2.123 1.00 54.14 C ATOM 1489 C VAL A 88 3.806 4.767 -3.563 1.00 44.53 C ATOM 1490 O VAL A 88 4.624 3.894 -3.867 1.00 42.52 O ATOM 1491 CB VAL A 88 4.569 5.003 -1.191 1.00 53.23 C ATOM 1492 CG1 VAL A 88 5.463 6.180 -1.556 1.00 22.42 C ATOM 1493 CG2 VAL A 88 4.134 5.090 0.264 1.00 50.31 C ATOM 0 H VAL A 88 2.912 3.042 -1.343 1.00 70.03 H new ATOM 0 HA VAL A 88 2.779 5.864 -2.028 1.00 54.14 H new ATOM 0 HB VAL A 88 5.146 4.088 -1.323 1.00 53.23 H new ATOM 0 HG11 VAL A 88 6.322 6.206 -0.885 1.00 22.42 H new ATOM 0 HG12 VAL A 88 5.809 6.069 -2.584 1.00 22.42 H new ATOM 0 HG13 VAL A 88 4.900 7.108 -1.461 1.00 22.42 H new ATOM 0 HG21 VAL A 88 5.014 5.138 0.905 1.00 50.31 H new ATOM 0 HG22 VAL A 88 3.530 5.985 0.410 1.00 50.31 H new ATOM 0 HG23 VAL A 88 3.546 4.209 0.521 1.00 50.31 H new ATOM 1503 N ALA A 89 3.265 5.595 -4.446 1.00 74.21 N ATOM 1504 CA ALA A 89 3.659 5.583 -5.845 1.00 73.30 C ATOM 1505 C ALA A 89 4.870 6.481 -6.051 1.00 23.34 C ATOM 1506 O ALA A 89 4.835 7.664 -5.711 1.00 23.13 O ATOM 1507 CB ALA A 89 2.499 6.030 -6.724 1.00 31.13 C ATOM 0 H ALA A 89 2.550 6.285 -4.216 1.00 74.21 H new ATOM 0 HA ALA A 89 3.929 4.566 -6.130 1.00 73.30 H new ATOM 0 HB1 ALA A 89 2.808 6.016 -7.769 1.00 31.13 H new ATOM 0 HB2 ALA A 89 1.656 5.353 -6.586 1.00 31.13 H new ATOM 0 HB3 ALA A 89 2.201 7.041 -6.447 1.00 31.13 H new ATOM 1513 N LYS A 90 5.946 5.921 -6.588 1.00 33.10 N ATOM 1514 CA LYS A 90 7.179 6.676 -6.775 1.00 71.54 C ATOM 1515 C LYS A 90 7.116 7.549 -8.021 1.00 62.05 C ATOM 1516 O LYS A 90 6.140 7.516 -8.776 1.00 14.52 O ATOM 1517 CB LYS A 90 8.381 5.733 -6.856 1.00 60.21 C ATOM 1518 CG LYS A 90 8.702 5.015 -5.552 1.00 25.03 C ATOM 1519 CD LYS A 90 9.635 5.824 -4.659 1.00 12.53 C ATOM 1520 CE LYS A 90 8.913 6.935 -3.912 1.00 22.00 C ATOM 1521 NZ LYS A 90 9.853 7.741 -3.092 1.00 50.30 N ATOM 0 H LYS A 90 5.991 4.951 -6.901 1.00 33.10 H new ATOM 0 HA LYS A 90 7.297 7.329 -5.910 1.00 71.54 H new ATOM 0 HB2 LYS A 90 8.193 4.989 -7.630 1.00 60.21 H new ATOM 0 HB3 LYS A 90 9.256 6.304 -7.168 1.00 60.21 H new ATOM 0 HG2 LYS A 90 7.776 4.811 -5.015 1.00 25.03 H new ATOM 0 HG3 LYS A 90 9.161 4.051 -5.774 1.00 25.03 H new ATOM 0 HD2 LYS A 90 10.111 5.158 -3.940 1.00 12.53 H new ATOM 0 HD3 LYS A 90 10.429 6.257 -5.267 1.00 12.53 H new ATOM 0 HE2 LYS A 90 8.404 7.583 -4.625 1.00 22.00 H new ATOM 0 HE3 LYS A 90 8.146 6.503 -3.269 1.00 22.00 H new ATOM 0 HZ1 LYS A 90 9.328 8.489 -2.596 1.00 50.30 H new ATOM 0 HZ2 LYS A 90 10.321 7.127 -2.395 1.00 50.30 H new ATOM 0 HZ3 LYS A 90 10.570 8.172 -3.709 1.00 50.30 H new ATOM 1535 N LYS A 91 8.171 8.323 -8.229 1.00 54.43 N ATOM 1536 CA LYS A 91 8.225 9.279 -9.321 1.00 21.32 C ATOM 1537 C LYS A 91 8.277 8.576 -10.672 1.00 11.24 C ATOM 1538 O LYS A 91 9.118 7.704 -10.906 1.00 53.21 O ATOM 1539 CB LYS A 91 9.438 10.195 -9.159 1.00 74.32 C ATOM 1540 CG LYS A 91 9.488 10.911 -7.816 1.00 72.41 C ATOM 1541 CD LYS A 91 10.609 11.934 -7.765 1.00 24.55 C ATOM 1542 CE LYS A 91 11.968 11.293 -7.981 1.00 34.32 C ATOM 1543 NZ LYS A 91 13.061 12.295 -7.965 1.00 22.34 N ATOM 0 H LYS A 91 9.009 8.305 -7.648 1.00 54.43 H new ATOM 0 HA LYS A 91 7.315 9.878 -9.288 1.00 21.32 H new ATOM 0 HB2 LYS A 91 10.347 9.605 -9.281 1.00 74.32 H new ATOM 0 HB3 LYS A 91 9.431 10.938 -9.957 1.00 74.32 H new ATOM 0 HG2 LYS A 91 8.535 11.407 -7.632 1.00 72.41 H new ATOM 0 HG3 LYS A 91 9.626 10.180 -7.019 1.00 72.41 H new ATOM 0 HD2 LYS A 91 10.441 12.695 -8.527 1.00 24.55 H new ATOM 0 HD3 LYS A 91 10.595 12.440 -6.800 1.00 24.55 H new ATOM 0 HE2 LYS A 91 12.146 10.549 -7.204 1.00 34.32 H new ATOM 0 HE3 LYS A 91 11.973 10.765 -8.935 1.00 34.32 H new ATOM 0 HZ1 LYS A 91 13.972 11.817 -8.116 1.00 22.34 H new ATOM 0 HZ2 LYS A 91 12.905 12.991 -8.722 1.00 22.34 H new ATOM 0 HZ3 LYS A 91 13.073 12.781 -7.046 1.00 22.34 H new ATOM 1557 N GLY A 92 7.359 8.956 -11.552 1.00 54.41 N ATOM 1558 CA GLY A 92 7.330 8.409 -12.894 1.00 25.13 C ATOM 1559 C GLY A 92 6.863 6.967 -12.933 1.00 12.12 C ATOM 1560 O GLY A 92 7.264 6.202 -13.811 1.00 24.41 O ATOM 0 H GLY A 92 6.628 9.640 -11.357 1.00 54.41 H new ATOM 0 HA2 GLY A 92 6.671 9.016 -13.514 1.00 25.13 H new ATOM 0 HA3 GLY A 92 8.327 8.475 -13.329 1.00 25.13 H new ATOM 1564 N VAL A 93 6.009 6.590 -11.986 1.00 53.24 N ATOM 1565 CA VAL A 93 5.496 5.223 -11.921 1.00 41.34 C ATOM 1566 C VAL A 93 4.541 4.942 -13.087 1.00 10.14 C ATOM 1567 O VAL A 93 4.334 3.795 -13.470 1.00 70.32 O ATOM 1568 CB VAL A 93 4.787 4.947 -10.570 1.00 52.40 C ATOM 1569 CG1 VAL A 93 3.490 5.734 -10.459 1.00 0.42 C ATOM 1570 CG2 VAL A 93 4.534 3.457 -10.378 1.00 32.23 C ATOM 0 H VAL A 93 5.658 7.209 -11.255 1.00 53.24 H new ATOM 0 HA VAL A 93 6.350 4.550 -11.999 1.00 41.34 H new ATOM 0 HB VAL A 93 5.452 5.282 -9.774 1.00 52.40 H new ATOM 0 HG11 VAL A 93 3.015 5.520 -9.501 1.00 0.42 H new ATOM 0 HG12 VAL A 93 3.705 6.800 -10.527 1.00 0.42 H new ATOM 0 HG13 VAL A 93 2.819 5.446 -11.269 1.00 0.42 H new ATOM 0 HG21 VAL A 93 4.036 3.293 -9.423 1.00 32.23 H new ATOM 0 HG22 VAL A 93 3.901 3.088 -11.185 1.00 32.23 H new ATOM 0 HG23 VAL A 93 5.484 2.922 -10.389 1.00 32.23 H new ATOM 1580 N ALA A 94 3.991 6.004 -13.666 1.00 10.23 N ATOM 1581 CA ALA A 94 3.047 5.873 -14.771 1.00 65.24 C ATOM 1582 C ALA A 94 3.771 5.890 -16.113 1.00 11.32 C ATOM 1583 O ALA A 94 3.152 5.729 -17.165 1.00 24.33 O ATOM 1584 CB ALA A 94 2.015 6.988 -14.709 1.00 42.45 C ATOM 0 H ALA A 94 4.183 6.967 -13.388 1.00 10.23 H new ATOM 0 HA ALA A 94 2.538 4.914 -14.677 1.00 65.24 H new ATOM 0 HB1 ALA A 94 1.315 6.882 -15.538 1.00 42.45 H new ATOM 0 HB2 ALA A 94 1.472 6.929 -13.765 1.00 42.45 H new ATOM 0 HB3 ALA A 94 2.517 7.953 -14.779 1.00 42.45 H new ATOM 1590 N ASP A 95 5.088 6.064 -16.068 1.00 14.22 N ATOM 1591 CA ASP A 95 5.900 6.143 -17.280 1.00 44.24 C ATOM 1592 C ASP A 95 6.498 4.772 -17.602 1.00 20.25 C ATOM 1593 O ASP A 95 7.617 4.645 -18.102 1.00 25.53 O ATOM 1594 CB ASP A 95 7.000 7.198 -17.104 1.00 21.21 C ATOM 1595 CG ASP A 95 7.784 7.459 -18.379 1.00 21.23 C ATOM 1596 OD1 ASP A 95 7.155 7.666 -19.436 1.00 15.42 O ATOM 1597 OD2 ASP A 95 9.034 7.457 -18.326 1.00 63.12 O ATOM 0 H ASP A 95 5.619 6.153 -15.202 1.00 14.22 H new ATOM 0 HA ASP A 95 5.270 6.443 -18.118 1.00 44.24 H new ATOM 0 HB2 ASP A 95 6.550 8.131 -16.764 1.00 21.21 H new ATOM 0 HB3 ASP A 95 7.686 6.872 -16.323 1.00 21.21 H new ATOM 1602 N LEU A 96 5.724 3.738 -17.320 1.00 35.34 N ATOM 1603 CA LEU A 96 6.135 2.373 -17.587 1.00 74.34 C ATOM 1604 C LEU A 96 5.148 1.721 -18.544 1.00 50.10 C ATOM 1605 O LEU A 96 3.984 2.122 -18.610 1.00 32.00 O ATOM 1606 CB LEU A 96 6.204 1.574 -16.281 1.00 15.51 C ATOM 1607 CG LEU A 96 7.186 2.107 -15.233 1.00 71.52 C ATOM 1608 CD1 LEU A 96 7.058 1.318 -13.937 1.00 70.22 C ATOM 1609 CD2 LEU A 96 8.612 2.043 -15.757 1.00 22.12 C ATOM 0 H LEU A 96 4.798 3.822 -16.902 1.00 35.34 H new ATOM 0 HA LEU A 96 7.126 2.383 -18.042 1.00 74.34 H new ATOM 0 HB2 LEU A 96 5.208 1.546 -15.839 1.00 15.51 H new ATOM 0 HB3 LEU A 96 6.476 0.546 -16.519 1.00 15.51 H new ATOM 0 HG LEU A 96 6.942 3.150 -15.029 1.00 71.52 H new ATOM 0 HD11 LEU A 96 7.762 1.708 -13.202 1.00 70.22 H new ATOM 0 HD12 LEU A 96 6.042 1.412 -13.552 1.00 70.22 H new ATOM 0 HD13 LEU A 96 7.278 0.267 -14.127 1.00 70.22 H new ATOM 0 HD21 LEU A 96 9.296 2.426 -14.999 1.00 22.12 H new ATOM 0 HD22 LEU A 96 8.869 1.009 -15.988 1.00 22.12 H new ATOM 0 HD23 LEU A 96 8.695 2.648 -16.660 1.00 22.12 H new ATOM 1621 N ASP A 97 5.612 0.730 -19.294 1.00 54.52 N ATOM 1622 CA ASP A 97 4.743 0.000 -20.207 1.00 20.44 C ATOM 1623 C ASP A 97 3.697 -0.777 -19.413 1.00 63.35 C ATOM 1624 O ASP A 97 3.945 -1.175 -18.272 1.00 1.11 O ATOM 1625 CB ASP A 97 5.562 -0.954 -21.085 1.00 20.14 C ATOM 1626 CG ASP A 97 4.726 -1.627 -22.156 1.00 50.20 C ATOM 1627 OD1 ASP A 97 4.079 -2.647 -21.857 1.00 3.53 O ATOM 1628 OD2 ASP A 97 4.711 -1.136 -23.303 1.00 41.21 O ATOM 0 H ASP A 97 6.582 0.414 -19.288 1.00 54.52 H new ATOM 0 HA ASP A 97 4.239 0.714 -20.858 1.00 20.44 H new ATOM 0 HB2 ASP A 97 6.373 -0.400 -21.558 1.00 20.14 H new ATOM 0 HB3 ASP A 97 6.021 -1.716 -20.456 1.00 20.14 H new ATOM 1633 N ASN A 98 2.533 -0.996 -20.013 1.00 3.04 N ATOM 1634 CA ASN A 98 1.438 -1.679 -19.328 1.00 71.15 C ATOM 1635 C ASN A 98 1.816 -3.114 -18.983 1.00 60.23 C ATOM 1636 O ASN A 98 1.270 -3.701 -18.048 1.00 41.15 O ATOM 1637 CB ASN A 98 0.160 -1.651 -20.171 1.00 2.04 C ATOM 1638 CG ASN A 98 -0.580 -0.326 -20.080 1.00 4.44 C ATOM 1639 OD1 ASN A 98 -1.801 -0.276 -20.211 1.00 21.44 O ATOM 1640 ND2 ASN A 98 0.148 0.756 -19.841 1.00 14.13 N ATOM 0 H ASN A 98 2.322 -0.712 -20.970 1.00 3.04 H new ATOM 0 HA ASN A 98 1.247 -1.144 -18.398 1.00 71.15 H new ATOM 0 HB2 ASN A 98 0.413 -1.849 -21.212 1.00 2.04 H new ATOM 0 HB3 ASN A 98 -0.501 -2.454 -19.846 1.00 2.04 H new ATOM 0 HD21 ASN A 98 -0.304 1.667 -19.760 1.00 14.13 H new ATOM 0 HD22 ASN A 98 1.160 0.677 -19.738 1.00 14.13 H new ATOM 1647 N ARG A 99 2.758 -3.671 -19.733 1.00 72.44 N ATOM 1648 CA ARG A 99 3.301 -4.983 -19.417 1.00 11.31 C ATOM 1649 C ARG A 99 4.101 -4.899 -18.127 1.00 32.25 C ATOM 1650 O ARG A 99 3.881 -5.669 -17.193 1.00 1.14 O ATOM 1651 CB ARG A 99 4.206 -5.474 -20.543 1.00 72.53 C ATOM 1652 CG ARG A 99 4.720 -6.888 -20.342 1.00 53.31 C ATOM 1653 CD ARG A 99 5.846 -7.209 -21.309 1.00 43.34 C ATOM 1654 NE ARG A 99 5.473 -6.962 -22.701 1.00 55.32 N ATOM 1655 CZ ARG A 99 5.620 -7.856 -23.674 1.00 34.35 C ATOM 1656 NH1 ARG A 99 6.024 -9.089 -23.386 1.00 41.51 N ATOM 1657 NH2 ARG A 99 5.340 -7.526 -24.928 1.00 63.15 N ATOM 0 H ARG A 99 3.160 -3.235 -20.563 1.00 72.44 H new ATOM 0 HA ARG A 99 2.476 -5.686 -19.299 1.00 11.31 H new ATOM 0 HB2 ARG A 99 3.658 -5.427 -21.484 1.00 72.53 H new ATOM 0 HB3 ARG A 99 5.056 -4.798 -20.635 1.00 72.53 H new ATOM 0 HG2 ARG A 99 5.073 -7.007 -19.318 1.00 53.31 H new ATOM 0 HG3 ARG A 99 3.904 -7.597 -20.482 1.00 53.31 H new ATOM 0 HD2 ARG A 99 6.720 -6.608 -21.058 1.00 43.34 H new ATOM 0 HD3 ARG A 99 6.134 -8.254 -21.193 1.00 43.34 H new ATOM 0 HE ARG A 99 5.078 -6.052 -22.939 1.00 55.32 H new ATOM 0 HH11 ARG A 99 6.221 -9.348 -22.419 1.00 41.51 H new ATOM 0 HH12 ARG A 99 6.137 -9.776 -24.132 1.00 41.51 H new ATOM 0 HH21 ARG A 99 5.012 -6.585 -25.147 1.00 63.15 H new ATOM 0 HH22 ARG A 99 5.453 -8.213 -25.674 1.00 63.15 H new ATOM 1671 N ALA A 100 5.012 -3.931 -18.082 1.00 65.23 N ATOM 1672 CA ALA A 100 5.870 -3.722 -16.920 1.00 45.33 C ATOM 1673 C ALA A 100 5.043 -3.428 -15.677 1.00 42.23 C ATOM 1674 O ALA A 100 5.353 -3.912 -14.594 1.00 11.31 O ATOM 1675 CB ALA A 100 6.853 -2.590 -17.181 1.00 74.44 C ATOM 0 H ALA A 100 5.176 -3.274 -18.844 1.00 65.23 H new ATOM 0 HA ALA A 100 6.431 -4.640 -16.746 1.00 45.33 H new ATOM 0 HB1 ALA A 100 7.485 -2.448 -16.304 1.00 74.44 H new ATOM 0 HB2 ALA A 100 7.475 -2.839 -18.040 1.00 74.44 H new ATOM 0 HB3 ALA A 100 6.304 -1.671 -17.385 1.00 74.44 H new ATOM 1681 N LEU A 101 3.989 -2.633 -15.846 1.00 5.11 N ATOM 1682 CA LEU A 101 3.068 -2.331 -14.754 1.00 52.34 C ATOM 1683 C LEU A 101 2.461 -3.613 -14.193 1.00 12.31 C ATOM 1684 O LEU A 101 2.400 -3.808 -12.979 1.00 72.33 O ATOM 1685 CB LEU A 101 1.954 -1.394 -15.238 1.00 31.21 C ATOM 1686 CG LEU A 101 2.414 -0.006 -15.685 1.00 74.51 C ATOM 1687 CD1 LEU A 101 1.245 0.787 -16.245 1.00 63.34 C ATOM 1688 CD2 LEU A 101 3.053 0.740 -14.527 1.00 33.12 C ATOM 0 H LEU A 101 3.751 -2.185 -16.731 1.00 5.11 H new ATOM 0 HA LEU A 101 3.629 -1.834 -13.963 1.00 52.34 H new ATOM 0 HB2 LEU A 101 1.436 -1.872 -16.069 1.00 31.21 H new ATOM 0 HB3 LEU A 101 1.227 -1.276 -14.435 1.00 31.21 H new ATOM 0 HG LEU A 101 3.158 -0.127 -16.472 1.00 74.51 H new ATOM 0 HD11 LEU A 101 1.590 1.772 -16.558 1.00 63.34 H new ATOM 0 HD12 LEU A 101 0.825 0.260 -17.102 1.00 63.34 H new ATOM 0 HD13 LEU A 101 0.480 0.898 -15.477 1.00 63.34 H new ATOM 0 HD21 LEU A 101 3.375 1.726 -14.863 1.00 33.12 H new ATOM 0 HD22 LEU A 101 2.328 0.850 -13.721 1.00 33.12 H new ATOM 0 HD23 LEU A 101 3.916 0.180 -14.165 1.00 33.12 H new ATOM 1700 N SER A 102 2.033 -4.494 -15.084 1.00 21.21 N ATOM 1701 CA SER A 102 1.445 -5.761 -14.684 1.00 33.00 C ATOM 1702 C SER A 102 2.496 -6.643 -14.010 1.00 64.35 C ATOM 1703 O SER A 102 2.231 -7.262 -12.978 1.00 12.21 O ATOM 1704 CB SER A 102 0.847 -6.465 -15.904 1.00 1.42 C ATOM 1705 OG SER A 102 0.063 -7.584 -15.528 1.00 34.51 O ATOM 0 H SER A 102 2.083 -4.353 -16.093 1.00 21.21 H new ATOM 0 HA SER A 102 0.647 -5.573 -13.965 1.00 33.00 H new ATOM 0 HB2 SER A 102 0.232 -5.762 -16.466 1.00 1.42 H new ATOM 0 HB3 SER A 102 1.649 -6.788 -16.568 1.00 1.42 H new ATOM 0 HG SER A 102 -0.305 -8.010 -16.330 1.00 34.51 H new ATOM 1711 N GLU A 103 3.702 -6.655 -14.572 1.00 61.05 N ATOM 1712 CA GLU A 103 4.793 -7.463 -14.037 1.00 42.41 C ATOM 1713 C GLU A 103 5.428 -6.806 -12.815 1.00 42.44 C ATOM 1714 O GLU A 103 6.446 -7.277 -12.310 1.00 12.54 O ATOM 1715 CB GLU A 103 5.861 -7.703 -15.104 1.00 23.15 C ATOM 1716 CG GLU A 103 5.349 -8.419 -16.342 1.00 1.42 C ATOM 1717 CD GLU A 103 6.469 -8.816 -17.278 1.00 4.44 C ATOM 1718 OE1 GLU A 103 7.236 -7.926 -17.709 1.00 21.01 O ATOM 1719 OE2 GLU A 103 6.596 -10.021 -17.587 1.00 70.33 O ATOM 0 H GLU A 103 3.948 -6.113 -15.400 1.00 61.05 H new ATOM 0 HA GLU A 103 4.368 -8.419 -13.732 1.00 42.41 H new ATOM 0 HB2 GLU A 103 6.285 -6.744 -15.401 1.00 23.15 H new ATOM 0 HB3 GLU A 103 6.671 -8.288 -14.668 1.00 23.15 H new ATOM 0 HG2 GLU A 103 4.796 -9.309 -16.042 1.00 1.42 H new ATOM 0 HG3 GLU A 103 4.649 -7.772 -16.870 1.00 1.42 H new ATOM 1726 N ALA A 104 4.846 -5.705 -12.366 1.00 32.11 N ATOM 1727 CA ALA A 104 5.271 -5.062 -11.132 1.00 22.34 C ATOM 1728 C ALA A 104 4.202 -5.243 -10.065 1.00 12.43 C ATOM 1729 O ALA A 104 4.502 -5.427 -8.883 1.00 33.03 O ATOM 1730 CB ALA A 104 5.545 -3.583 -11.364 1.00 4.41 C ATOM 0 H ALA A 104 4.074 -5.236 -12.840 1.00 32.11 H new ATOM 0 HA ALA A 104 6.196 -5.528 -10.792 1.00 22.34 H new ATOM 0 HB1 ALA A 104 5.861 -3.121 -10.429 1.00 4.41 H new ATOM 0 HB2 ALA A 104 6.333 -3.471 -12.109 1.00 4.41 H new ATOM 0 HB3 ALA A 104 4.637 -3.096 -11.720 1.00 4.41 H new ATOM 1736 N LEU A 105 2.951 -5.211 -10.505 1.00 45.50 N ATOM 1737 CA LEU A 105 1.810 -5.390 -9.620 1.00 30.41 C ATOM 1738 C LEU A 105 1.802 -6.808 -9.058 1.00 44.11 C ATOM 1739 O LEU A 105 1.590 -7.011 -7.861 1.00 72.12 O ATOM 1740 CB LEU A 105 0.507 -5.090 -10.386 1.00 74.23 C ATOM 1741 CG LEU A 105 -0.758 -4.878 -9.537 1.00 21.33 C ATOM 1742 CD1 LEU A 105 -1.306 -6.197 -9.012 1.00 1.45 C ATOM 1743 CD2 LEU A 105 -0.472 -3.926 -8.386 1.00 63.52 C ATOM 0 H LEU A 105 2.700 -5.061 -11.482 1.00 45.50 H new ATOM 0 HA LEU A 105 1.886 -4.695 -8.783 1.00 30.41 H new ATOM 0 HB2 LEU A 105 0.665 -4.197 -10.990 1.00 74.23 H new ATOM 0 HB3 LEU A 105 0.320 -5.913 -11.076 1.00 74.23 H new ATOM 0 HG LEU A 105 -1.519 -4.435 -10.180 1.00 21.33 H new ATOM 0 HD11 LEU A 105 -2.199 -6.009 -8.417 1.00 1.45 H new ATOM 0 HD12 LEU A 105 -1.559 -6.846 -9.851 1.00 1.45 H new ATOM 0 HD13 LEU A 105 -0.553 -6.683 -8.392 1.00 1.45 H new ATOM 0 HD21 LEU A 105 -1.377 -3.787 -7.795 1.00 63.52 H new ATOM 0 HD22 LEU A 105 0.312 -4.344 -7.755 1.00 63.52 H new ATOM 0 HD23 LEU A 105 -0.146 -2.964 -8.782 1.00 63.52 H new ATOM 1755 N GLU A 106 2.058 -7.789 -9.920 1.00 44.24 N ATOM 1756 CA GLU A 106 2.063 -9.183 -9.497 1.00 13.33 C ATOM 1757 C GLU A 106 3.138 -9.429 -8.445 1.00 64.44 C ATOM 1758 O GLU A 106 2.962 -10.261 -7.557 1.00 53.30 O ATOM 1759 CB GLU A 106 2.277 -10.127 -10.682 1.00 41.23 C ATOM 1760 CG GLU A 106 3.615 -9.955 -11.387 1.00 54.53 C ATOM 1761 CD GLU A 106 4.141 -11.263 -11.942 1.00 70.32 C ATOM 1762 OE1 GLU A 106 3.401 -11.947 -12.674 1.00 33.31 O ATOM 1763 OE2 GLU A 106 5.297 -11.627 -11.625 1.00 42.12 O ATOM 0 H GLU A 106 2.263 -7.644 -10.909 1.00 44.24 H new ATOM 0 HA GLU A 106 1.085 -9.390 -9.062 1.00 13.33 H new ATOM 0 HB2 GLU A 106 2.194 -11.156 -10.331 1.00 41.23 H new ATOM 0 HB3 GLU A 106 1.476 -9.971 -11.405 1.00 41.23 H new ATOM 0 HG2 GLU A 106 3.506 -9.235 -12.198 1.00 54.53 H new ATOM 0 HG3 GLU A 106 4.341 -9.540 -10.688 1.00 54.53 H new ATOM 1770 N LYS A 107 4.238 -8.687 -8.537 1.00 3.31 N ATOM 1771 CA LYS A 107 5.355 -8.855 -7.616 1.00 70.23 C ATOM 1772 C LYS A 107 4.918 -8.556 -6.193 1.00 0.13 C ATOM 1773 O LYS A 107 5.110 -9.369 -5.290 1.00 25.53 O ATOM 1774 CB LYS A 107 6.515 -7.924 -7.988 1.00 42.11 C ATOM 1775 CG LYS A 107 6.913 -7.974 -9.454 1.00 23.35 C ATOM 1776 CD LYS A 107 7.460 -9.332 -9.861 1.00 31.12 C ATOM 1777 CE LYS A 107 8.795 -9.625 -9.200 1.00 72.22 C ATOM 1778 NZ LYS A 107 9.414 -10.860 -9.749 1.00 11.53 N ATOM 0 H LYS A 107 4.379 -7.963 -9.241 1.00 3.31 H new ATOM 0 HA LYS A 107 5.690 -9.890 -7.687 1.00 70.23 H new ATOM 0 HB2 LYS A 107 6.240 -6.901 -7.733 1.00 42.11 H new ATOM 0 HB3 LYS A 107 7.382 -8.182 -7.379 1.00 42.11 H new ATOM 0 HG2 LYS A 107 6.047 -7.735 -10.071 1.00 23.35 H new ATOM 0 HG3 LYS A 107 7.665 -7.209 -9.650 1.00 23.35 H new ATOM 0 HD2 LYS A 107 6.743 -10.108 -9.592 1.00 31.12 H new ATOM 0 HD3 LYS A 107 7.576 -9.367 -10.944 1.00 31.12 H new ATOM 0 HE2 LYS A 107 9.469 -8.781 -9.349 1.00 72.22 H new ATOM 0 HE3 LYS A 107 8.654 -9.734 -8.125 1.00 72.22 H new ATOM 0 HZ1 LYS A 107 10.324 -11.032 -9.276 1.00 11.53 H new ATOM 0 HZ2 LYS A 107 8.781 -11.668 -9.585 1.00 11.53 H new ATOM 0 HZ3 LYS A 107 9.571 -10.745 -10.771 1.00 11.53 H new ATOM 1792 N LEU A 108 4.303 -7.395 -6.008 1.00 12.51 N ATOM 1793 CA LEU A 108 3.922 -6.938 -4.682 1.00 64.02 C ATOM 1794 C LEU A 108 2.749 -7.742 -4.133 1.00 22.43 C ATOM 1795 O LEU A 108 2.646 -7.948 -2.924 1.00 2.25 O ATOM 1796 CB LEU A 108 3.604 -5.433 -4.706 1.00 72.05 C ATOM 1797 CG LEU A 108 2.479 -4.994 -5.654 1.00 45.45 C ATOM 1798 CD1 LEU A 108 1.122 -5.065 -4.966 1.00 74.34 C ATOM 1799 CD2 LEU A 108 2.742 -3.590 -6.174 1.00 75.14 C ATOM 0 H LEU A 108 4.058 -6.753 -6.762 1.00 12.51 H new ATOM 0 HA LEU A 108 4.766 -7.099 -4.011 1.00 64.02 H new ATOM 0 HB2 LEU A 108 3.341 -5.122 -3.695 1.00 72.05 H new ATOM 0 HB3 LEU A 108 4.512 -4.895 -4.979 1.00 72.05 H new ATOM 0 HG LEU A 108 2.462 -5.681 -6.500 1.00 45.45 H new ATOM 0 HD11 LEU A 108 0.345 -4.748 -5.661 1.00 74.34 H new ATOM 0 HD12 LEU A 108 0.929 -6.089 -4.647 1.00 74.34 H new ATOM 0 HD13 LEU A 108 1.120 -4.408 -4.096 1.00 74.34 H new ATOM 0 HD21 LEU A 108 1.936 -3.293 -6.845 1.00 75.14 H new ATOM 0 HD22 LEU A 108 2.791 -2.895 -5.336 1.00 75.14 H new ATOM 0 HD23 LEU A 108 3.688 -3.574 -6.715 1.00 75.14 H new ATOM 1811 N TRP A 109 1.881 -8.223 -5.015 1.00 73.43 N ATOM 1812 CA TRP A 109 0.707 -8.956 -4.575 1.00 1.11 C ATOM 1813 C TRP A 109 1.069 -10.404 -4.262 1.00 63.32 C ATOM 1814 O TRP A 109 0.584 -10.974 -3.287 1.00 34.45 O ATOM 1815 CB TRP A 109 -0.404 -8.892 -5.622 1.00 43.45 C ATOM 1816 CG TRP A 109 -1.764 -9.097 -5.029 1.00 73.34 C ATOM 1817 CD1 TRP A 109 -2.536 -10.221 -5.097 1.00 10.24 C ATOM 1818 CD2 TRP A 109 -2.505 -8.144 -4.256 1.00 13.04 C ATOM 1819 NE1 TRP A 109 -3.713 -10.022 -4.416 1.00 53.44 N ATOM 1820 CE2 TRP A 109 -3.717 -8.755 -3.893 1.00 71.52 C ATOM 1821 CE3 TRP A 109 -2.259 -6.831 -3.841 1.00 43.25 C ATOM 1822 CZ2 TRP A 109 -4.679 -8.101 -3.131 1.00 40.42 C ATOM 1823 CZ3 TRP A 109 -3.217 -6.183 -3.084 1.00 21.13 C ATOM 1824 CH2 TRP A 109 -4.415 -6.820 -2.739 1.00 72.24 C ATOM 0 H TRP A 109 1.968 -8.119 -6.026 1.00 73.43 H new ATOM 0 HA TRP A 109 0.336 -8.487 -3.664 1.00 1.11 H new ATOM 0 HB2 TRP A 109 -0.372 -7.924 -6.123 1.00 43.45 H new ATOM 0 HB3 TRP A 109 -0.225 -9.651 -6.384 1.00 43.45 H new ATOM 0 HD1 TRP A 109 -2.262 -11.131 -5.610 1.00 10.24 H new ATOM 0 HE1 TRP A 109 -4.463 -10.707 -4.316 1.00 53.44 H new ATOM 0 HE3 TRP A 109 -1.338 -6.333 -4.107 1.00 43.25 H new ATOM 0 HZ2 TRP A 109 -5.603 -8.589 -2.859 1.00 40.42 H new ATOM 0 HZ3 TRP A 109 -3.039 -5.170 -2.754 1.00 21.13 H new ATOM 0 HH2 TRP A 109 -5.146 -6.287 -2.150 1.00 72.24 H new ATOM 1835 N ARG A 110 1.941 -10.987 -5.078 1.00 4.14 N ATOM 1836 CA ARG A 110 2.410 -12.348 -4.841 1.00 14.34 C ATOM 1837 C ARG A 110 3.268 -12.373 -3.579 1.00 51.23 C ATOM 1838 O ARG A 110 3.242 -13.332 -2.807 1.00 24.42 O ATOM 1839 CB ARG A 110 3.201 -12.853 -6.052 1.00 23.44 C ATOM 1840 CG ARG A 110 3.513 -14.341 -6.020 1.00 23.52 C ATOM 1841 CD ARG A 110 4.077 -14.811 -7.353 1.00 50.42 C ATOM 1842 NE ARG A 110 3.142 -14.575 -8.455 1.00 10.13 N ATOM 1843 CZ ARG A 110 3.460 -13.940 -9.586 1.00 50.44 C ATOM 1844 NH1 ARG A 110 4.700 -13.528 -9.797 1.00 51.13 N ATOM 1845 NH2 ARG A 110 2.539 -13.728 -10.513 1.00 21.21 N ATOM 0 H ARG A 110 2.336 -10.541 -5.906 1.00 4.14 H new ATOM 0 HA ARG A 110 1.556 -13.010 -4.699 1.00 14.34 H new ATOM 0 HB2 ARG A 110 2.637 -12.632 -6.958 1.00 23.44 H new ATOM 0 HB3 ARG A 110 4.137 -12.299 -6.116 1.00 23.44 H new ATOM 0 HG2 ARG A 110 4.229 -14.549 -5.225 1.00 23.52 H new ATOM 0 HG3 ARG A 110 2.607 -14.901 -5.787 1.00 23.52 H new ATOM 0 HD2 ARG A 110 5.014 -14.292 -7.554 1.00 50.42 H new ATOM 0 HD3 ARG A 110 4.308 -15.875 -7.295 1.00 50.42 H new ATOM 0 HE ARG A 110 2.187 -14.918 -8.352 1.00 10.13 H new ATOM 0 HH11 ARG A 110 5.420 -13.695 -9.094 1.00 51.13 H new ATOM 0 HH12 ARG A 110 4.936 -13.044 -10.663 1.00 51.13 H new ATOM 0 HH21 ARG A 110 1.583 -14.050 -10.365 1.00 21.21 H new ATOM 0 HH22 ARG A 110 2.786 -13.243 -11.375 1.00 21.21 H new ATOM 1859 N ARG A 111 4.008 -11.288 -3.369 1.00 62.13 N ATOM 1860 CA ARG A 111 4.771 -11.099 -2.144 1.00 14.34 C ATOM 1861 C ARG A 111 3.824 -10.958 -0.956 1.00 11.24 C ATOM 1862 O ARG A 111 4.079 -11.492 0.120 1.00 23.21 O ATOM 1863 CB ARG A 111 5.655 -9.850 -2.251 1.00 64.32 C ATOM 1864 CG ARG A 111 6.442 -9.545 -0.985 1.00 62.34 C ATOM 1865 CD ARG A 111 7.502 -10.598 -0.711 1.00 55.41 C ATOM 1866 NE ARG A 111 8.542 -10.601 -1.739 1.00 41.31 N ATOM 1867 CZ ARG A 111 9.172 -11.694 -2.159 1.00 61.20 C ATOM 1868 NH1 ARG A 111 8.860 -12.880 -1.652 1.00 3.12 N ATOM 1869 NH2 ARG A 111 10.113 -11.596 -3.090 1.00 70.24 N ATOM 0 H ARG A 111 4.094 -10.523 -4.038 1.00 62.13 H new ATOM 0 HA ARG A 111 5.409 -11.970 -1.995 1.00 14.34 H new ATOM 0 HB2 ARG A 111 6.352 -9.979 -3.079 1.00 64.32 H new ATOM 0 HB3 ARG A 111 5.028 -8.992 -2.494 1.00 64.32 H new ATOM 0 HG2 ARG A 111 6.916 -8.568 -1.079 1.00 62.34 H new ATOM 0 HG3 ARG A 111 5.759 -9.488 -0.137 1.00 62.34 H new ATOM 0 HD2 ARG A 111 7.954 -10.414 0.263 1.00 55.41 H new ATOM 0 HD3 ARG A 111 7.034 -11.581 -0.664 1.00 55.41 H new ATOM 0 HE ARG A 111 8.800 -9.709 -2.160 1.00 41.31 H new ATOM 0 HH11 ARG A 111 8.135 -12.955 -0.938 1.00 3.12 H new ATOM 0 HH12 ARG A 111 9.345 -13.717 -1.976 1.00 3.12 H new ATOM 0 HH21 ARG A 111 10.351 -10.684 -3.481 1.00 70.24 H new ATOM 0 HH22 ARG A 111 10.598 -12.432 -3.415 1.00 70.24 H new ATOM 1883 N HIS A 112 2.726 -10.244 -1.170 1.00 21.01 N ATOM 1884 CA HIS A 112 1.764 -9.975 -0.111 1.00 41.42 C ATOM 1885 C HIS A 112 0.993 -11.238 0.257 1.00 61.32 C ATOM 1886 O HIS A 112 0.719 -11.485 1.431 1.00 55.54 O ATOM 1887 CB HIS A 112 0.789 -8.881 -0.540 1.00 31.35 C ATOM 1888 CG HIS A 112 0.114 -8.205 0.609 1.00 61.31 C ATOM 1889 ND1 HIS A 112 -1.117 -8.587 1.100 1.00 2.00 N ATOM 1890 CD2 HIS A 112 0.518 -7.164 1.376 1.00 74.43 C ATOM 1891 CE1 HIS A 112 -1.438 -7.811 2.115 1.00 64.30 C ATOM 1892 NE2 HIS A 112 -0.466 -6.938 2.304 1.00 62.53 N ATOM 0 H HIS A 112 2.480 -9.839 -2.073 1.00 21.01 H new ATOM 0 HA HIS A 112 2.316 -9.636 0.765 1.00 41.42 H new ATOM 0 HB2 HIS A 112 1.326 -8.135 -1.126 1.00 31.35 H new ATOM 0 HB3 HIS A 112 0.032 -9.315 -1.193 1.00 31.35 H new ATOM 0 HD1 HIS A 112 -1.688 -9.349 0.735 1.00 2.00 H new ATOM 0 HD2 HIS A 112 1.442 -6.615 1.275 1.00 74.43 H new ATOM 0 HE1 HIS A 112 -2.346 -7.878 2.696 1.00 64.30 H new ATOM 1901 N CYS A 113 0.637 -12.023 -0.751 1.00 62.42 N ATOM 1902 CA CYS A 113 -0.064 -13.282 -0.540 1.00 72.42 C ATOM 1903 C CYS A 113 0.776 -14.211 0.326 1.00 52.53 C ATOM 1904 O CYS A 113 0.298 -14.763 1.318 1.00 64.13 O ATOM 1905 CB CYS A 113 -0.364 -13.947 -1.887 1.00 51.12 C ATOM 1906 SG CYS A 113 -1.211 -15.537 -1.758 1.00 53.01 S ATOM 0 H CYS A 113 0.824 -11.807 -1.730 1.00 62.42 H new ATOM 0 HA CYS A 113 -1.005 -13.080 -0.028 1.00 72.42 H new ATOM 0 HB2 CYS A 113 -0.975 -13.271 -2.485 1.00 51.12 H new ATOM 0 HB3 CYS A 113 0.573 -14.090 -2.425 1.00 51.12 H new ATOM 0 HG CYS A 113 -2.489 -15.338 -1.623 1.00 53.01 H new ATOM 1912 N ARG A 114 2.048 -14.330 -0.032 1.00 12.32 N ATOM 1913 CA ARG A 114 2.977 -15.205 0.675 1.00 34.34 C ATOM 1914 C ARG A 114 3.489 -14.551 1.957 1.00 41.31 C ATOM 1915 O ARG A 114 4.480 -14.996 2.538 1.00 44.23 O ATOM 1916 CB ARG A 114 4.154 -15.552 -0.236 1.00 51.33 C ATOM 1917 CG ARG A 114 3.757 -16.339 -1.472 1.00 61.22 C ATOM 1918 CD ARG A 114 3.282 -17.739 -1.120 1.00 23.44 C ATOM 1919 NE ARG A 114 4.360 -18.567 -0.575 1.00 34.41 N ATOM 1920 CZ ARG A 114 4.586 -19.825 -0.954 1.00 32.10 C ATOM 1921 NH1 ARG A 114 3.804 -20.404 -1.859 1.00 60.51 N ATOM 1922 NH2 ARG A 114 5.603 -20.509 -0.445 1.00 3.54 N ATOM 0 H ARG A 114 2.464 -13.827 -0.816 1.00 12.32 H new ATOM 0 HA ARG A 114 2.444 -16.115 0.949 1.00 34.34 H new ATOM 0 HB2 ARG A 114 4.647 -14.630 -0.546 1.00 51.33 H new ATOM 0 HB3 ARG A 114 4.884 -16.128 0.332 1.00 51.33 H new ATOM 0 HG2 ARG A 114 2.966 -15.809 -2.002 1.00 61.22 H new ATOM 0 HG3 ARG A 114 4.607 -16.403 -2.151 1.00 61.22 H new ATOM 0 HD2 ARG A 114 2.473 -17.674 -0.393 1.00 23.44 H new ATOM 0 HD3 ARG A 114 2.873 -18.217 -2.010 1.00 23.44 H new ATOM 0 HE ARG A 114 4.971 -18.159 0.133 1.00 34.41 H new ATOM 0 HH11 ARG A 114 3.026 -19.886 -2.267 1.00 60.51 H new ATOM 0 HH12 ARG A 114 3.982 -21.367 -2.145 1.00 60.51 H new ATOM 0 HH21 ARG A 114 6.218 -20.073 0.241 1.00 3.54 H new ATOM 0 HH22 ARG A 114 5.769 -21.471 -0.740 1.00 3.54 H new ATOM 1936 N LEU A 115 2.814 -13.497 2.391 1.00 10.11 N ATOM 1937 CA LEU A 115 3.200 -12.789 3.602 1.00 74.50 C ATOM 1938 C LEU A 115 2.024 -12.697 4.567 1.00 73.32 C ATOM 1939 O LEU A 115 2.143 -13.042 5.742 1.00 24.50 O ATOM 1940 CB LEU A 115 3.699 -11.386 3.252 1.00 71.42 C ATOM 1941 CG LEU A 115 4.261 -10.577 4.423 1.00 33.03 C ATOM 1942 CD1 LEU A 115 5.496 -11.255 4.994 1.00 33.30 C ATOM 1943 CD2 LEU A 115 4.583 -9.151 3.986 1.00 23.04 C ATOM 0 H LEU A 115 1.994 -13.113 1.921 1.00 10.11 H new ATOM 0 HA LEU A 115 4.004 -13.344 4.086 1.00 74.50 H new ATOM 0 HB2 LEU A 115 4.473 -11.474 2.489 1.00 71.42 H new ATOM 0 HB3 LEU A 115 2.876 -10.826 2.808 1.00 71.42 H new ATOM 0 HG LEU A 115 3.503 -10.531 5.204 1.00 33.03 H new ATOM 0 HD11 LEU A 115 5.883 -10.666 5.826 1.00 33.30 H new ATOM 0 HD12 LEU A 115 5.233 -12.252 5.347 1.00 33.30 H new ATOM 0 HD13 LEU A 115 6.259 -11.333 4.219 1.00 33.30 H new ATOM 0 HD21 LEU A 115 4.981 -8.592 4.833 1.00 23.04 H new ATOM 0 HD22 LEU A 115 5.323 -9.174 3.186 1.00 23.04 H new ATOM 0 HD23 LEU A 115 3.675 -8.667 3.627 1.00 23.04 H new ATOM 1955 N ALA A 116 0.886 -12.243 4.053 1.00 73.20 N ATOM 1956 CA ALA A 116 -0.309 -12.046 4.865 1.00 24.41 C ATOM 1957 C ALA A 116 -0.874 -13.372 5.357 1.00 50.52 C ATOM 1958 O ALA A 116 -1.559 -13.424 6.379 1.00 14.05 O ATOM 1959 CB ALA A 116 -1.365 -11.284 4.077 1.00 52.24 C ATOM 0 H ALA A 116 0.766 -12.003 3.069 1.00 73.20 H new ATOM 0 HA ALA A 116 -0.024 -11.459 5.738 1.00 24.41 H new ATOM 0 HB1 ALA A 116 -2.251 -11.145 4.696 1.00 52.24 H new ATOM 0 HB2 ALA A 116 -0.970 -10.311 3.785 1.00 52.24 H new ATOM 0 HB3 ALA A 116 -1.632 -11.850 3.184 1.00 52.24 H new ATOM 1965 N ARG A 117 -0.579 -14.444 4.630 1.00 22.11 N ATOM 1966 CA ARG A 117 -1.049 -15.771 5.005 1.00 52.31 C ATOM 1967 C ARG A 117 -0.071 -16.445 5.965 1.00 34.32 C ATOM 1968 O ARG A 117 -0.142 -17.654 6.188 1.00 0.32 O ATOM 1969 CB ARG A 117 -1.246 -16.639 3.761 1.00 34.51 C ATOM 1970 CG ARG A 117 -2.360 -16.161 2.847 1.00 5.34 C ATOM 1971 CD ARG A 117 -2.609 -17.153 1.725 1.00 11.34 C ATOM 1972 NE ARG A 117 -3.780 -16.802 0.923 1.00 43.43 N ATOM 1973 CZ ARG A 117 -4.916 -17.499 0.921 1.00 61.32 C ATOM 1974 NH1 ARG A 117 -5.046 -18.567 1.702 1.00 44.32 N ATOM 1975 NH2 ARG A 117 -5.923 -17.124 0.145 1.00 33.04 N ATOM 0 H ARG A 117 -0.017 -14.419 3.779 1.00 22.11 H new ATOM 0 HA ARG A 117 -2.007 -15.659 5.513 1.00 52.31 H new ATOM 0 HB2 ARG A 117 -0.313 -16.666 3.197 1.00 34.51 H new ATOM 0 HB3 ARG A 117 -1.459 -17.661 4.073 1.00 34.51 H new ATOM 0 HG2 ARG A 117 -3.274 -16.023 3.424 1.00 5.34 H new ATOM 0 HG3 ARG A 117 -2.099 -15.190 2.427 1.00 5.34 H new ATOM 0 HD2 ARG A 117 -1.731 -17.198 1.081 1.00 11.34 H new ATOM 0 HD3 ARG A 117 -2.746 -18.149 2.147 1.00 11.34 H new ATOM 0 HE ARG A 117 -3.724 -15.974 0.330 1.00 43.43 H new ATOM 0 HH11 ARG A 117 -4.275 -18.855 2.305 1.00 44.32 H new ATOM 0 HH12 ARG A 117 -5.917 -19.099 1.698 1.00 44.32 H new ATOM 0 HH21 ARG A 117 -5.829 -16.302 -0.451 1.00 33.04 H new ATOM 0 HH22 ARG A 117 -6.792 -17.658 0.144 1.00 33.04 H new