USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ -134:sc= -0.531 (180deg=-1.33) USER MOD Set 1.2: A 60 TYR OH : rot -100:sc= 0.687! USER MOD Set 2.1: A 33 HIS : no HE2:sc= -9.12! C(o=-10!,f=-13!) USER MOD Set 2.2: A 36 MET CE :methyl 148:sc= -1.1 (180deg=0) USER MOD Set 3.1: A 25 LYS NZ :NH3+ -151:sc= -0.22 (180deg=-1.04) USER MOD Set 3.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.96 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -152:sc= -0.0182 (180deg=-0.11) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0536 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -5.4! C(o=-5.4!,f=-9.3!) USER MOD Single : A 42 THR OG1 : rot 96:sc= 1.1 USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -0.0256 (180deg=-0.367) USER MOD Single : A 46 SER OG : rot 6:sc= 0.14 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.049) USER MOD Single : A 49 TYR OH : rot 30:sc= -1.01 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0655) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -140:sc=-0.00105 (180deg=-0.0788) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 249 N PRO A 14 0.779 4.130 -1.778 1.00 0.00 N ATOM 250 CA PRO A 14 0.488 2.921 -2.549 1.00 0.00 C ATOM 251 C PRO A 14 -0.273 1.884 -1.730 1.00 0.00 C ATOM 252 O PRO A 14 -0.779 2.179 -0.647 1.00 0.00 O ATOM 253 CB PRO A 14 1.876 2.376 -2.930 1.00 0.00 C ATOM 254 CG PRO A 14 2.863 3.405 -2.475 1.00 0.00 C ATOM 255 CD PRO A 14 2.190 4.188 -1.389 1.00 0.00 C ATOM 0 HA PRO A 14 -0.145 3.140 -3.409 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.064 1.416 -2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.950 2.214 -4.005 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.773 2.933 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.153 4.056 -3.300 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.358 3.746 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.556 5.214 -1.343 1.00 0.00 H new ATOM 263 N LEU A 15 -0.344 0.664 -2.255 1.00 0.00 N ATOM 264 CA LEU A 15 -1.036 -0.423 -1.574 1.00 0.00 C ATOM 265 C LEU A 15 -0.035 -1.365 -0.916 1.00 0.00 C ATOM 266 O LEU A 15 1.176 -1.178 -1.028 1.00 0.00 O ATOM 267 CB LEU A 15 -1.906 -1.203 -2.564 1.00 0.00 C ATOM 268 CG LEU A 15 -3.083 -0.416 -3.150 1.00 0.00 C ATOM 269 CD1 LEU A 15 -3.197 -0.665 -4.646 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.379 -0.793 -2.447 1.00 0.00 C ATOM 0 H LEU A 15 0.070 0.404 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.674 0.009 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.276 -1.550 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.295 -2.090 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.901 0.647 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.038 -0.099 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.278 -0.347 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.357 -1.728 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.204 -0.225 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.567 -1.859 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.296 -0.566 -1.384 1.00 0.00 H new ATOM 282 N THR A 16 -0.549 -2.379 -0.228 1.00 0.00 N ATOM 283 CA THR A 16 0.303 -3.352 0.445 1.00 0.00 C ATOM 284 C THR A 16 0.384 -4.647 -0.359 1.00 0.00 C ATOM 285 O THR A 16 -0.546 -4.991 -1.087 1.00 0.00 O ATOM 286 CB THR A 16 -0.230 -3.643 1.850 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.376 -4.474 1.790 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.609 -2.395 2.618 1.00 0.00 C ATOM 0 H THR A 16 -1.549 -2.548 -0.122 1.00 0.00 H new ATOM 0 HA THR A 16 1.305 -2.929 0.525 1.00 0.00 H new ATOM 0 HB THR A 16 0.590 -4.137 2.372 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.701 -4.650 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.979 -2.673 3.605 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.266 -1.754 2.726 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.388 -1.857 2.077 1.00 0.00 H new ATOM 296 N PRO A 17 1.502 -5.386 -0.239 1.00 0.00 N ATOM 297 CA PRO A 17 1.705 -6.646 -0.954 1.00 0.00 C ATOM 298 C PRO A 17 0.458 -7.525 -0.939 1.00 0.00 C ATOM 299 O PRO A 17 0.043 -8.048 -1.973 1.00 0.00 O ATOM 300 CB PRO A 17 2.855 -7.328 -0.196 1.00 0.00 C ATOM 301 CG PRO A 17 3.225 -6.408 0.929 1.00 0.00 C ATOM 302 CD PRO A 17 2.656 -5.057 0.599 1.00 0.00 C ATOM 0 HA PRO A 17 1.926 -6.478 -2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.546 -8.302 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.707 -7.499 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.824 -6.774 1.874 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.308 -6.353 1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.362 -4.512 1.496 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.376 -4.434 0.069 1.00 0.00 H new ATOM 310 N TYR A 18 -0.140 -7.676 0.239 1.00 0.00 N ATOM 311 CA TYR A 18 -1.345 -8.482 0.384 1.00 0.00 C ATOM 312 C TYR A 18 -2.510 -7.835 -0.358 1.00 0.00 C ATOM 313 O TYR A 18 -3.380 -8.522 -0.892 1.00 0.00 O ATOM 314 CB TYR A 18 -1.691 -8.657 1.866 1.00 0.00 C ATOM 315 CG TYR A 18 -3.001 -9.375 2.110 1.00 0.00 C ATOM 316 CD1 TYR A 18 -3.370 -10.472 1.341 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.868 -8.955 3.111 1.00 0.00 C ATOM 318 CE1 TYR A 18 -4.566 -11.129 1.563 1.00 0.00 C ATOM 319 CE2 TYR A 18 -5.064 -9.606 3.340 1.00 0.00 C ATOM 320 CZ TYR A 18 -5.409 -10.692 2.563 1.00 0.00 C ATOM 321 OH TYR A 18 -6.600 -11.343 2.788 1.00 0.00 O ATOM 0 H TYR A 18 0.191 -7.251 1.105 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.160 -9.465 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.888 -9.211 2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.733 -7.675 2.337 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.712 -10.817 0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.602 -8.104 3.721 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.839 -11.980 0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.726 -9.267 4.123 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.075 -10.910 3.528 1.00 0.00 H new ATOM 331 N PHE A 19 -2.511 -6.505 -0.398 1.00 0.00 N ATOM 332 CA PHE A 19 -3.559 -5.761 -1.084 1.00 0.00 C ATOM 333 C PHE A 19 -3.376 -5.855 -2.596 1.00 0.00 C ATOM 334 O PHE A 19 -4.329 -6.104 -3.332 1.00 0.00 O ATOM 335 CB PHE A 19 -3.553 -4.295 -0.641 1.00 0.00 C ATOM 336 CG PHE A 19 -4.826 -3.865 0.031 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.880 -3.359 -0.711 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.967 -3.968 1.406 1.00 0.00 C ATOM 339 CE1 PHE A 19 -7.053 -2.963 -0.096 1.00 0.00 C ATOM 340 CE2 PHE A 19 -6.138 -3.573 2.027 1.00 0.00 C ATOM 341 CZ PHE A 19 -7.181 -3.070 1.275 1.00 0.00 C ATOM 0 H PHE A 19 -1.796 -5.922 0.037 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.521 -6.200 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.719 -4.134 0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.379 -3.662 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.784 -3.273 -1.783 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.154 -4.361 1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.868 -2.571 -0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.236 -3.658 3.099 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.096 -2.761 1.758 1.00 0.00 H new ATOM 351 N ARG A 20 -2.139 -5.664 -3.048 1.00 0.00 N ATOM 352 CA ARG A 20 -1.823 -5.739 -4.471 1.00 0.00 C ATOM 353 C ARG A 20 -1.829 -7.188 -4.959 1.00 0.00 C ATOM 354 O ARG A 20 -1.706 -7.448 -6.155 1.00 0.00 O ATOM 355 CB ARG A 20 -0.458 -5.100 -4.750 1.00 0.00 C ATOM 356 CG ARG A 20 0.687 -5.740 -3.983 1.00 0.00 C ATOM 357 CD ARG A 20 1.988 -4.972 -4.171 1.00 0.00 C ATOM 358 NE ARG A 20 1.802 -3.528 -4.034 1.00 0.00 N ATOM 359 CZ ARG A 20 1.482 -2.717 -5.042 1.00 0.00 C ATOM 360 NH1 ARG A 20 1.297 -3.203 -6.265 1.00 0.00 N ATOM 361 NH2 ARG A 20 1.340 -1.417 -4.826 1.00 0.00 N ATOM 0 H ARG A 20 -1.340 -5.456 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.592 -5.189 -5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.249 -5.164 -5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.505 -4.041 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.438 -5.780 -2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.820 -6.769 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.719 -5.314 -3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.399 -5.192 -5.157 1.00 0.00 H new ATOM 0 HE ARG A 20 1.925 -3.116 -3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.400 -4.203 -6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.052 -2.576 -7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.476 -1.038 -3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.095 -0.796 -5.597 1.00 0.00 H new ATOM 375 N PHE A 21 -1.969 -8.126 -4.024 1.00 0.00 N ATOM 376 CA PHE A 21 -1.994 -9.547 -4.348 1.00 0.00 C ATOM 377 C PHE A 21 -3.427 -10.068 -4.371 1.00 0.00 C ATOM 378 O PHE A 21 -3.771 -10.953 -5.158 1.00 0.00 O ATOM 379 CB PHE A 21 -1.176 -10.323 -3.313 1.00 0.00 C ATOM 380 CG PHE A 21 -0.999 -11.778 -3.637 1.00 0.00 C ATOM 381 CD1 PHE A 21 -2.075 -12.650 -3.600 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.249 -12.272 -3.967 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.905 -13.991 -3.893 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.427 -13.609 -4.259 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.652 -14.471 -4.222 1.00 0.00 C ATOM 0 H PHE A 21 -2.067 -7.923 -3.029 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.559 -9.688 -5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.193 -9.860 -3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.662 -10.235 -2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.055 -12.279 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.096 -11.603 -3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.751 -14.662 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.408 -13.981 -4.516 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.516 -15.518 -4.450 1.00 0.00 H new ATOM 395 N PHE A 22 -4.256 -9.505 -3.499 1.00 0.00 N ATOM 396 CA PHE A 22 -5.653 -9.897 -3.398 1.00 0.00 C ATOM 397 C PHE A 22 -6.456 -9.248 -4.514 1.00 0.00 C ATOM 398 O PHE A 22 -7.018 -9.928 -5.372 1.00 0.00 O ATOM 399 CB PHE A 22 -6.195 -9.482 -2.026 1.00 0.00 C ATOM 400 CG PHE A 22 -7.665 -9.727 -1.828 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.604 -8.853 -2.352 1.00 0.00 C ATOM 402 CD2 PHE A 22 -8.106 -10.822 -1.101 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.955 -9.069 -2.159 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.456 -11.040 -0.902 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.382 -10.162 -1.430 1.00 0.00 C ATOM 0 H PHE A 22 -3.980 -8.770 -2.848 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.741 -10.979 -3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.644 -10.021 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.995 -8.421 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.276 -7.993 -2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.387 -11.512 -0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.677 -8.384 -2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.787 -11.897 -0.334 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.437 -10.329 -1.273 1.00 0.00 H new ATOM 415 N MET A 23 -6.481 -7.924 -4.497 1.00 0.00 N ATOM 416 CA MET A 23 -7.189 -7.146 -5.502 1.00 0.00 C ATOM 417 C MET A 23 -6.775 -7.559 -6.913 1.00 0.00 C ATOM 418 O MET A 23 -7.567 -7.484 -7.854 1.00 0.00 O ATOM 419 CB MET A 23 -6.888 -5.666 -5.284 1.00 0.00 C ATOM 420 CG MET A 23 -8.014 -4.910 -4.602 1.00 0.00 C ATOM 421 SD MET A 23 -9.458 -4.707 -5.661 1.00 0.00 S ATOM 422 CE MET A 23 -10.664 -5.697 -4.784 1.00 0.00 C ATOM 0 H MET A 23 -6.012 -7.360 -3.788 1.00 0.00 H new ATOM 0 HA MET A 23 -8.259 -7.330 -5.401 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.983 -5.573 -4.683 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.681 -5.200 -6.247 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.305 -5.441 -3.695 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.653 -3.928 -4.295 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.399 -6.085 -5.490 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.162 -6.528 -4.289 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.167 -5.081 -4.038 1.00 0.00 H new ATOM 432 N GLU A 24 -5.524 -7.986 -7.049 1.00 0.00 N ATOM 433 CA GLU A 24 -4.987 -8.403 -8.340 1.00 0.00 C ATOM 434 C GLU A 24 -5.628 -9.700 -8.824 1.00 0.00 C ATOM 435 O GLU A 24 -6.167 -9.765 -9.928 1.00 0.00 O ATOM 436 CB GLU A 24 -3.472 -8.594 -8.243 1.00 0.00 C ATOM 437 CG GLU A 24 -2.675 -7.563 -9.023 1.00 0.00 C ATOM 438 CD GLU A 24 -1.991 -8.153 -10.243 1.00 0.00 C ATOM 439 OE1 GLU A 24 -1.373 -9.231 -10.114 1.00 0.00 O ATOM 440 OE2 GLU A 24 -2.076 -7.538 -11.325 1.00 0.00 O ATOM 0 H GLU A 24 -4.860 -8.053 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.217 -7.617 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.176 -8.552 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.216 -9.589 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.339 -6.758 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.924 -7.119 -8.369 1.00 0.00 H new ATOM 447 N LYS A 25 -5.541 -10.734 -7.998 1.00 0.00 N ATOM 448 CA LYS A 25 -6.090 -12.037 -8.348 1.00 0.00 C ATOM 449 C LYS A 25 -7.598 -12.097 -8.159 1.00 0.00 C ATOM 450 O LYS A 25 -8.228 -13.107 -8.467 1.00 0.00 O ATOM 451 CB LYS A 25 -5.415 -13.122 -7.522 1.00 0.00 C ATOM 452 CG LYS A 25 -4.122 -13.603 -8.143 1.00 0.00 C ATOM 453 CD LYS A 25 -2.966 -13.543 -7.157 1.00 0.00 C ATOM 454 CE LYS A 25 -1.849 -14.495 -7.552 1.00 0.00 C ATOM 455 NZ LYS A 25 -2.329 -15.902 -7.653 1.00 0.00 N ATOM 0 H LYS A 25 -5.096 -10.696 -7.081 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.891 -12.203 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.214 -12.740 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.096 -13.965 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.247 -14.627 -8.495 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.888 -12.992 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.579 -12.525 -7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.324 -13.794 -6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.429 -14.185 -8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.046 -14.437 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.547 -16.552 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.105 -16.054 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.671 -16.084 -8.618 1.00 0.00 H new ATOM 469 N ARG A 26 -8.177 -11.014 -7.665 1.00 0.00 N ATOM 470 CA ARG A 26 -9.617 -10.965 -7.462 1.00 0.00 C ATOM 471 C ARG A 26 -10.325 -11.084 -8.802 1.00 0.00 C ATOM 472 O ARG A 26 -11.410 -11.657 -8.901 1.00 0.00 O ATOM 473 CB ARG A 26 -10.045 -9.667 -6.764 1.00 0.00 C ATOM 474 CG ARG A 26 -10.004 -9.713 -5.238 1.00 0.00 C ATOM 475 CD ARG A 26 -10.377 -11.081 -4.675 1.00 0.00 C ATOM 476 NE ARG A 26 -11.461 -11.724 -5.417 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.694 -11.232 -5.514 1.00 0.00 C ATOM 478 NH1 ARG A 26 -13.022 -10.109 -4.888 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.608 -11.875 -6.228 1.00 0.00 N ATOM 0 H ARG A 26 -7.678 -10.165 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.896 -11.799 -6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.399 -8.858 -7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.059 -9.420 -7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.003 -9.447 -4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.686 -8.963 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.499 -11.727 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.673 -10.971 -3.632 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.259 -12.605 -5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.327 -9.616 -4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.969 -9.739 -4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.366 -12.745 -6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.553 -11.499 -6.303 1.00 0.00 H new ATOM 493 N ALA A 27 -9.685 -10.551 -9.833 1.00 0.00 N ATOM 494 CA ALA A 27 -10.227 -10.605 -11.181 1.00 0.00 C ATOM 495 C ALA A 27 -10.286 -12.047 -11.658 1.00 0.00 C ATOM 496 O ALA A 27 -11.224 -12.454 -12.344 1.00 0.00 O ATOM 497 CB ALA A 27 -9.370 -9.778 -12.123 1.00 0.00 C ATOM 0 H ALA A 27 -8.786 -10.075 -9.760 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.236 -10.193 -11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.785 -9.826 -13.130 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.355 -8.742 -11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.354 -10.172 -12.131 1.00 0.00 H new ATOM 503 N LYS A 28 -9.271 -12.811 -11.279 1.00 0.00 N ATOM 504 CA LYS A 28 -9.182 -14.217 -11.654 1.00 0.00 C ATOM 505 C LYS A 28 -10.110 -15.081 -10.799 1.00 0.00 C ATOM 506 O LYS A 28 -10.410 -16.221 -11.154 1.00 0.00 O ATOM 507 CB LYS A 28 -7.739 -14.711 -11.519 1.00 0.00 C ATOM 508 CG LYS A 28 -6.776 -14.043 -12.488 1.00 0.00 C ATOM 509 CD LYS A 28 -6.448 -14.949 -13.663 1.00 0.00 C ATOM 510 CE LYS A 28 -7.677 -15.227 -14.513 1.00 0.00 C ATOM 511 NZ LYS A 28 -7.345 -15.309 -15.962 1.00 0.00 N ATOM 0 H LYS A 28 -8.493 -12.479 -10.709 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.498 -14.305 -12.694 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.397 -14.534 -10.499 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.716 -15.789 -11.681 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.213 -13.114 -12.855 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.857 -13.778 -11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.677 -14.484 -14.278 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.039 -15.890 -13.295 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.136 -16.162 -14.192 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.414 -14.440 -14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.210 -15.500 -16.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.931 -14.408 -16.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.661 -16.077 -16.119 1.00 0.00 H new ATOM 525 N TYR A 29 -10.562 -14.535 -9.672 1.00 0.00 N ATOM 526 CA TYR A 29 -11.453 -15.264 -8.774 1.00 0.00 C ATOM 527 C TYR A 29 -12.900 -14.835 -8.962 1.00 0.00 C ATOM 528 O TYR A 29 -13.819 -15.637 -8.800 1.00 0.00 O ATOM 529 CB TYR A 29 -11.037 -15.048 -7.318 1.00 0.00 C ATOM 530 CG TYR A 29 -9.741 -15.722 -6.953 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.595 -17.099 -7.050 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.660 -14.976 -6.509 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.404 -17.714 -6.713 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.470 -15.580 -6.171 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.344 -16.949 -6.274 1.00 0.00 C ATOM 536 OH TYR A 29 -6.156 -17.555 -5.938 1.00 0.00 O ATOM 0 H TYR A 29 -10.326 -13.593 -9.360 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.374 -16.323 -9.019 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.945 -13.978 -7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.826 -15.420 -6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.425 -17.699 -7.394 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.753 -13.903 -6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.304 -18.786 -6.793 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.638 -14.984 -5.826 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.512 -16.875 -5.650 1.00 0.00 H new ATOM 546 N ALA A 30 -13.100 -13.571 -9.315 1.00 0.00 N ATOM 547 CA ALA A 30 -14.444 -13.049 -9.533 1.00 0.00 C ATOM 548 C ALA A 30 -15.009 -13.590 -10.835 1.00 0.00 C ATOM 549 O ALA A 30 -16.215 -13.533 -11.080 1.00 0.00 O ATOM 550 CB ALA A 30 -14.423 -11.528 -9.551 1.00 0.00 C ATOM 0 H ALA A 30 -12.353 -12.891 -9.456 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.085 -13.374 -8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.433 -11.152 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.048 -11.158 -8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.773 -11.183 -10.355 1.00 0.00 H new ATOM 556 N LYS A 31 -14.119 -14.114 -11.668 1.00 0.00 N ATOM 557 CA LYS A 31 -14.492 -14.668 -12.950 1.00 0.00 C ATOM 558 C LYS A 31 -14.610 -16.190 -12.880 1.00 0.00 C ATOM 559 O LYS A 31 -15.236 -16.812 -13.739 1.00 0.00 O ATOM 560 CB LYS A 31 -13.440 -14.271 -13.978 1.00 0.00 C ATOM 561 CG LYS A 31 -13.744 -14.760 -15.380 1.00 0.00 C ATOM 562 CD LYS A 31 -13.116 -16.119 -15.646 1.00 0.00 C ATOM 563 CE LYS A 31 -11.855 -15.995 -16.488 1.00 0.00 C ATOM 564 NZ LYS A 31 -11.370 -17.321 -16.960 1.00 0.00 N ATOM 0 H LYS A 31 -13.120 -14.164 -11.468 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.467 -14.274 -13.238 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.351 -13.185 -13.993 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.473 -14.666 -13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.823 -14.824 -15.518 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.372 -14.038 -16.107 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.876 -16.602 -14.699 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.835 -16.759 -16.157 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.054 -15.354 -17.347 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.074 -15.510 -15.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.510 -17.193 -17.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.156 -17.924 -16.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.105 -17.773 -17.540 1.00 0.00 H new ATOM 578 N LEU A 32 -13.998 -16.786 -11.860 1.00 0.00 N ATOM 579 CA LEU A 32 -14.026 -18.234 -11.687 1.00 0.00 C ATOM 580 C LEU A 32 -14.850 -18.648 -10.466 1.00 0.00 C ATOM 581 O LEU A 32 -15.010 -19.838 -10.198 1.00 0.00 O ATOM 582 CB LEU A 32 -12.600 -18.764 -11.554 1.00 0.00 C ATOM 583 CG LEU A 32 -12.480 -20.286 -11.426 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.602 -20.847 -12.534 1.00 0.00 C ATOM 585 CD2 LEU A 32 -11.924 -20.667 -10.061 1.00 0.00 C ATOM 0 H LEU A 32 -13.476 -16.287 -11.140 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.502 -18.665 -12.568 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.027 -18.442 -12.424 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.138 -18.304 -10.680 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.476 -20.717 -11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.528 -21.929 -12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.041 -20.607 -13.503 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.607 -20.407 -12.468 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.846 -21.752 -9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.937 -20.223 -9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.590 -20.299 -9.281 1.00 0.00 H new ATOM 597 N HIS A 33 -15.372 -17.670 -9.727 1.00 0.00 N ATOM 598 CA HIS A 33 -16.174 -17.964 -8.540 1.00 0.00 C ATOM 599 C HIS A 33 -17.592 -17.407 -8.675 1.00 0.00 C ATOM 600 O HIS A 33 -18.067 -16.675 -7.806 1.00 0.00 O ATOM 601 CB HIS A 33 -15.508 -17.391 -7.285 1.00 0.00 C ATOM 602 CG HIS A 33 -14.242 -18.095 -6.907 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.030 -18.638 -5.657 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.119 -18.345 -7.620 1.00 0.00 C ATOM 605 CE1 HIS A 33 -12.832 -19.192 -5.618 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.259 -19.029 -6.796 1.00 0.00 N ATOM 0 H HIS A 33 -15.256 -16.676 -9.926 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.239 -19.048 -8.447 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.293 -16.335 -7.448 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.209 -17.449 -6.452 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -14.695 -18.615 -4.884 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.934 -18.060 -8.645 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.395 -19.693 -4.767 1.00 0.00 H new ATOM 615 N PRO A 34 -18.294 -17.753 -9.768 1.00 0.00 N ATOM 616 CA PRO A 34 -19.664 -17.288 -10.004 1.00 0.00 C ATOM 617 C PRO A 34 -20.678 -17.979 -9.096 1.00 0.00 C ATOM 618 O PRO A 34 -21.783 -17.479 -8.892 1.00 0.00 O ATOM 619 CB PRO A 34 -19.915 -17.665 -11.464 1.00 0.00 C ATOM 620 CG PRO A 34 -19.041 -18.846 -11.699 1.00 0.00 C ATOM 621 CD PRO A 34 -17.813 -18.626 -10.858 1.00 0.00 C ATOM 0 HA PRO A 34 -19.775 -16.224 -9.795 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.964 -17.907 -11.637 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.662 -16.844 -12.135 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.548 -19.769 -11.416 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.781 -18.935 -12.754 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.416 -19.566 -10.474 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.015 -18.152 -11.429 1.00 0.00 H new ATOM 629 N GLU A 35 -20.297 -19.136 -8.556 1.00 0.00 N ATOM 630 CA GLU A 35 -21.179 -19.892 -7.677 1.00 0.00 C ATOM 631 C GLU A 35 -20.663 -19.893 -6.240 1.00 0.00 C ATOM 632 O GLU A 35 -21.018 -20.761 -5.443 1.00 0.00 O ATOM 633 CB GLU A 35 -21.321 -21.328 -8.186 1.00 0.00 C ATOM 634 CG GLU A 35 -22.306 -22.161 -7.384 1.00 0.00 C ATOM 635 CD GLU A 35 -23.352 -22.832 -8.255 1.00 0.00 C ATOM 636 OE1 GLU A 35 -23.869 -22.168 -9.177 1.00 0.00 O ATOM 637 OE2 GLU A 35 -23.651 -24.020 -8.014 1.00 0.00 O ATOM 0 H GLU A 35 -19.386 -19.567 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.156 -19.409 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.640 -21.306 -9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.344 -21.812 -8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.761 -22.922 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -22.803 -21.524 -6.652 1.00 0.00 H new ATOM 644 N MET A 36 -19.828 -18.913 -5.911 1.00 0.00 N ATOM 645 CA MET A 36 -19.274 -18.801 -4.568 1.00 0.00 C ATOM 646 C MET A 36 -19.793 -17.542 -3.877 1.00 0.00 C ATOM 647 O MET A 36 -20.781 -16.950 -4.310 1.00 0.00 O ATOM 648 CB MET A 36 -17.745 -18.783 -4.624 1.00 0.00 C ATOM 649 CG MET A 36 -17.159 -19.867 -5.515 1.00 0.00 C ATOM 650 SD MET A 36 -15.988 -20.928 -4.646 1.00 0.00 S ATOM 651 CE MET A 36 -14.996 -21.524 -6.012 1.00 0.00 C ATOM 0 H MET A 36 -19.521 -18.185 -6.556 1.00 0.00 H new ATOM 0 HA MET A 36 -19.593 -19.668 -3.990 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.414 -17.809 -4.984 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.351 -18.901 -3.615 1.00 0.00 H new ATOM 0 HG2 MET A 36 -17.968 -20.478 -5.916 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.660 -19.402 -6.365 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.973 -21.689 -5.674 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.412 -22.461 -6.382 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.999 -20.785 -6.813 1.00 0.00 H new ATOM 661 N SER A 37 -19.127 -17.140 -2.799 1.00 0.00 N ATOM 662 CA SER A 37 -19.531 -15.955 -2.052 1.00 0.00 C ATOM 663 C SER A 37 -18.354 -15.007 -1.830 1.00 0.00 C ATOM 664 O SER A 37 -18.439 -14.085 -1.018 1.00 0.00 O ATOM 665 CB SER A 37 -20.115 -16.367 -0.702 1.00 0.00 C ATOM 666 OG SER A 37 -21.506 -16.102 -0.644 1.00 0.00 O ATOM 0 H SER A 37 -18.307 -17.617 -2.424 1.00 0.00 H new ATOM 0 HA SER A 37 -20.286 -15.431 -2.638 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.937 -17.429 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.606 -15.829 0.097 1.00 0.00 H new ATOM 0 HG SER A 37 -21.855 -16.376 0.230 1.00 0.00 H new ATOM 672 N ASN A 38 -17.254 -15.246 -2.546 1.00 0.00 N ATOM 673 CA ASN A 38 -16.049 -14.424 -2.425 1.00 0.00 C ATOM 674 C ASN A 38 -15.204 -14.858 -1.230 1.00 0.00 C ATOM 675 O ASN A 38 -13.995 -14.631 -1.202 1.00 0.00 O ATOM 676 CB ASN A 38 -16.423 -12.948 -2.303 1.00 0.00 C ATOM 677 CG ASN A 38 -15.533 -12.048 -3.135 1.00 0.00 C ATOM 678 OD1 ASN A 38 -14.348 -11.884 -2.845 1.00 0.00 O ATOM 679 ND2 ASN A 38 -16.104 -11.454 -4.177 1.00 0.00 N ATOM 0 H ASN A 38 -17.173 -16.007 -3.220 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.454 -14.563 -3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.459 -12.813 -2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.361 -12.647 -1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.557 -10.833 -4.773 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.090 -11.618 -4.381 1.00 0.00 H new ATOM 686 N LEU A 39 -15.840 -15.497 -0.251 1.00 0.00 N ATOM 687 CA LEU A 39 -15.134 -15.970 0.931 1.00 0.00 C ATOM 688 C LEU A 39 -14.208 -17.119 0.555 1.00 0.00 C ATOM 689 O LEU A 39 -13.110 -17.250 1.095 1.00 0.00 O ATOM 690 CB LEU A 39 -16.129 -16.424 2.003 1.00 0.00 C ATOM 691 CG LEU A 39 -16.909 -15.297 2.679 1.00 0.00 C ATOM 692 CD1 LEU A 39 -17.837 -15.855 3.746 1.00 0.00 C ATOM 693 CD2 LEU A 39 -15.954 -14.278 3.283 1.00 0.00 C ATOM 0 H LEU A 39 -16.840 -15.697 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.540 -15.151 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -16.839 -17.115 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.587 -16.980 2.768 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.516 -14.797 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.384 -15.038 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.543 -16.548 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.250 -16.380 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.526 -13.482 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.322 -14.766 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.329 -13.854 2.497 1.00 0.00 H new ATOM 705 N ASP A 40 -14.660 -17.941 -0.388 1.00 0.00 N ATOM 706 CA ASP A 40 -13.872 -19.074 -0.855 1.00 0.00 C ATOM 707 C ASP A 40 -12.569 -18.584 -1.475 1.00 0.00 C ATOM 708 O ASP A 40 -11.480 -18.962 -1.044 1.00 0.00 O ATOM 709 CB ASP A 40 -14.668 -19.890 -1.878 1.00 0.00 C ATOM 710 CG ASP A 40 -15.496 -20.980 -1.227 1.00 0.00 C ATOM 711 OD1 ASP A 40 -14.912 -22.009 -0.827 1.00 0.00 O ATOM 712 OD2 ASP A 40 -16.728 -20.805 -1.117 1.00 0.00 O ATOM 0 H ASP A 40 -15.568 -17.842 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.640 -19.714 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.324 -19.224 -2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.981 -20.339 -2.595 1.00 0.00 H new ATOM 717 N LEU A 41 -12.693 -17.733 -2.489 1.00 0.00 N ATOM 718 CA LEU A 41 -11.534 -17.174 -3.174 1.00 0.00 C ATOM 719 C LEU A 41 -10.633 -16.419 -2.199 1.00 0.00 C ATOM 720 O LEU A 41 -9.409 -16.440 -2.329 1.00 0.00 O ATOM 721 CB LEU A 41 -11.975 -16.242 -4.308 1.00 0.00 C ATOM 722 CG LEU A 41 -13.250 -15.427 -4.049 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.923 -13.945 -3.937 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.266 -15.668 -5.156 1.00 0.00 C ATOM 0 H LEU A 41 -13.590 -17.415 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.966 -18.002 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.161 -15.549 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.126 -16.841 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.684 -15.754 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.839 -13.383 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.229 -13.787 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.467 -13.602 -4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.165 -15.084 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.840 -15.366 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.522 -16.727 -5.191 1.00 0.00 H new ATOM 736 N THR A 42 -11.244 -15.754 -1.223 1.00 0.00 N ATOM 737 CA THR A 42 -10.490 -14.994 -0.230 1.00 0.00 C ATOM 738 C THR A 42 -9.526 -15.900 0.528 1.00 0.00 C ATOM 739 O THR A 42 -8.341 -15.590 0.656 1.00 0.00 O ATOM 740 CB THR A 42 -11.442 -14.303 0.750 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.282 -13.387 0.071 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.727 -13.539 1.845 1.00 0.00 C ATOM 0 H THR A 42 -12.256 -15.726 -1.098 1.00 0.00 H new ATOM 0 HA THR A 42 -9.910 -14.234 -0.754 1.00 0.00 H new ATOM 0 HB THR A 42 -12.018 -15.108 1.206 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.137 -13.819 -0.136 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.461 -13.074 2.503 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.106 -14.225 2.421 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.099 -12.767 1.400 1.00 0.00 H new ATOM 750 N LYS A 43 -10.038 -17.023 1.022 1.00 0.00 N ATOM 751 CA LYS A 43 -9.215 -17.977 1.759 1.00 0.00 C ATOM 752 C LYS A 43 -8.014 -18.397 0.917 1.00 0.00 C ATOM 753 O LYS A 43 -6.893 -18.505 1.416 1.00 0.00 O ATOM 754 CB LYS A 43 -10.062 -19.195 2.158 1.00 0.00 C ATOM 755 CG LYS A 43 -9.307 -20.517 2.156 1.00 0.00 C ATOM 756 CD LYS A 43 -9.402 -21.211 0.805 1.00 0.00 C ATOM 757 CE LYS A 43 -10.074 -22.569 0.920 1.00 0.00 C ATOM 758 NZ LYS A 43 -11.441 -22.465 1.501 1.00 0.00 N ATOM 0 H LYS A 43 -11.016 -17.295 0.926 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.841 -17.505 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.471 -19.026 3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.908 -19.273 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.260 -20.340 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.711 -21.169 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.963 -20.584 0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.403 -21.333 0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.133 -23.030 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.464 -23.224 1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.018 -23.267 1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.379 -22.482 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.882 -21.574 1.195 1.00 0.00 H new ATOM 772 N ILE A 44 -8.260 -18.624 -0.367 1.00 0.00 N ATOM 773 CA ILE A 44 -7.212 -19.025 -1.298 1.00 0.00 C ATOM 774 C ILE A 44 -6.044 -18.042 -1.260 1.00 0.00 C ATOM 775 O ILE A 44 -4.883 -18.443 -1.172 1.00 0.00 O ATOM 776 CB ILE A 44 -7.746 -19.095 -2.743 1.00 0.00 C ATOM 777 CG1 ILE A 44 -8.947 -20.035 -2.831 1.00 0.00 C ATOM 778 CG2 ILE A 44 -6.655 -19.545 -3.701 1.00 0.00 C ATOM 779 CD1 ILE A 44 -9.628 -20.001 -4.179 1.00 0.00 C ATOM 0 H ILE A 44 -9.184 -18.536 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.872 -20.013 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.067 -18.094 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.620 -21.053 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.668 -19.767 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.055 -19.587 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.826 -18.838 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.300 -20.534 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.473 -20.690 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.984 -18.991 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.919 -20.298 -4.952 1.00 0.00 H new ATOM 791 N LEU A 45 -6.366 -16.758 -1.337 1.00 0.00 N ATOM 792 CA LEU A 45 -5.355 -15.710 -1.324 1.00 0.00 C ATOM 793 C LEU A 45 -4.648 -15.637 0.027 1.00 0.00 C ATOM 794 O LEU A 45 -3.485 -15.235 0.109 1.00 0.00 O ATOM 795 CB LEU A 45 -5.999 -14.365 -1.657 1.00 0.00 C ATOM 796 CG LEU A 45 -6.515 -14.238 -3.091 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.503 -13.090 -3.206 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.353 -14.048 -4.053 1.00 0.00 C ATOM 0 H LEU A 45 -7.324 -16.416 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.606 -15.949 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.829 -14.196 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.270 -13.575 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.036 -15.158 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.858 -13.017 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.349 -13.270 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.012 -12.158 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.734 -13.959 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.807 -13.142 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.684 -14.906 -3.990 1.00 0.00 H new ATOM 810 N SER A 46 -5.351 -16.036 1.083 1.00 0.00 N ATOM 811 CA SER A 46 -4.783 -16.018 2.427 1.00 0.00 C ATOM 812 C SER A 46 -3.970 -17.280 2.692 1.00 0.00 C ATOM 813 O SER A 46 -3.248 -17.369 3.685 1.00 0.00 O ATOM 814 CB SER A 46 -5.892 -15.881 3.470 1.00 0.00 C ATOM 815 OG SER A 46 -6.800 -16.968 3.398 1.00 0.00 O ATOM 0 H SER A 46 -6.312 -16.375 1.034 1.00 0.00 H new ATOM 0 HA SER A 46 -4.117 -15.158 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.454 -15.835 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.428 -14.945 3.314 1.00 0.00 H new ATOM 0 HG SER A 46 -6.467 -17.630 2.757 1.00 0.00 H new ATOM 821 N LYS A 47 -4.091 -18.254 1.799 1.00 0.00 N ATOM 822 CA LYS A 47 -3.376 -19.509 1.929 1.00 0.00 C ATOM 823 C LYS A 47 -2.107 -19.498 1.082 1.00 0.00 C ATOM 824 O LYS A 47 -1.098 -20.101 1.448 1.00 0.00 O ATOM 825 CB LYS A 47 -4.289 -20.656 1.502 1.00 0.00 C ATOM 826 CG LYS A 47 -3.601 -22.009 1.472 1.00 0.00 C ATOM 827 CD LYS A 47 -3.312 -22.457 0.049 1.00 0.00 C ATOM 828 CE LYS A 47 -4.482 -23.228 -0.541 1.00 0.00 C ATOM 829 NZ LYS A 47 -4.571 -24.610 0.008 1.00 0.00 N ATOM 0 H LYS A 47 -4.684 -18.194 0.971 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.084 -19.646 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.138 -20.706 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.689 -20.440 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.669 -21.956 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.230 -22.749 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.099 -21.587 -0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.420 -23.083 0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.410 -22.695 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.377 -23.274 -1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.257 -25.161 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.637 -25.065 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.881 -24.570 1.000 1.00 0.00 H new ATOM 843 N LYS A 48 -2.166 -18.803 -0.050 1.00 0.00 N ATOM 844 CA LYS A 48 -1.024 -18.710 -0.952 1.00 0.00 C ATOM 845 C LYS A 48 0.019 -17.734 -0.416 1.00 0.00 C ATOM 846 O LYS A 48 1.205 -18.056 -0.346 1.00 0.00 O ATOM 847 CB LYS A 48 -1.481 -18.269 -2.343 1.00 0.00 C ATOM 848 CG LYS A 48 -2.128 -19.380 -3.154 1.00 0.00 C ATOM 849 CD LYS A 48 -3.188 -18.834 -4.097 1.00 0.00 C ATOM 850 CE LYS A 48 -3.371 -19.732 -5.310 1.00 0.00 C ATOM 851 NZ LYS A 48 -2.644 -19.213 -6.501 1.00 0.00 N ATOM 0 H LYS A 48 -2.993 -18.296 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.569 -19.698 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.189 -17.447 -2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.622 -17.883 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.365 -19.906 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.579 -20.109 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.135 -18.741 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.905 -17.833 -4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.014 -20.735 -5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.433 -19.817 -5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.795 -19.854 -7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.002 -18.266 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.627 -19.156 -6.289 1.00 0.00 H new ATOM 865 N TYR A 49 -0.431 -16.538 -0.044 1.00 0.00 N ATOM 866 CA TYR A 49 0.458 -15.506 0.481 1.00 0.00 C ATOM 867 C TYR A 49 1.433 -16.066 1.516 1.00 0.00 C ATOM 868 O TYR A 49 2.610 -15.708 1.526 1.00 0.00 O ATOM 869 CB TYR A 49 -0.358 -14.381 1.105 1.00 0.00 C ATOM 870 CG TYR A 49 0.449 -13.130 1.326 1.00 0.00 C ATOM 871 CD1 TYR A 49 1.194 -12.960 2.482 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.476 -12.128 0.370 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.944 -11.820 2.683 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.223 -10.982 0.561 1.00 0.00 C ATOM 875 CZ TYR A 49 1.956 -10.832 1.719 1.00 0.00 C ATOM 876 OH TYR A 49 2.704 -9.694 1.914 1.00 0.00 O ATOM 0 H TYR A 49 -1.411 -16.259 -0.097 1.00 0.00 H new ATOM 0 HA TYR A 49 1.041 -15.121 -0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.206 -14.152 0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.765 -14.719 2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.187 -13.732 3.237 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.096 -12.245 -0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.519 -11.701 3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.233 -10.208 -0.192 1.00 0.00 H new ATOM 0 HH TYR A 49 3.485 -9.906 2.467 1.00 0.00 H new ATOM 886 N LYS A 50 0.938 -16.935 2.388 1.00 0.00 N ATOM 887 CA LYS A 50 1.774 -17.525 3.426 1.00 0.00 C ATOM 888 C LYS A 50 2.468 -18.787 2.921 1.00 0.00 C ATOM 889 O LYS A 50 3.582 -19.104 3.339 1.00 0.00 O ATOM 890 CB LYS A 50 0.930 -17.856 4.658 1.00 0.00 C ATOM 891 CG LYS A 50 0.156 -16.666 5.200 1.00 0.00 C ATOM 892 CD LYS A 50 1.080 -15.505 5.534 1.00 0.00 C ATOM 893 CE LYS A 50 2.115 -15.893 6.579 1.00 0.00 C ATOM 894 NZ LYS A 50 2.050 -15.014 7.779 1.00 0.00 N ATOM 0 H LYS A 50 -0.033 -17.246 2.398 1.00 0.00 H new ATOM 0 HA LYS A 50 2.539 -16.797 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.228 -18.651 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.581 -18.243 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.582 -16.345 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.393 -16.964 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.585 -15.170 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.491 -14.664 5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.957 -16.929 6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.112 -15.836 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.771 -15.312 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.226 -14.028 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.107 -15.087 8.212 1.00 0.00 H new ATOM 908 N GLU A 51 1.800 -19.505 2.026 1.00 0.00 N ATOM 909 CA GLU A 51 2.348 -20.738 1.469 1.00 0.00 C ATOM 910 C GLU A 51 3.676 -20.487 0.760 1.00 0.00 C ATOM 911 O GLU A 51 4.611 -21.278 0.883 1.00 0.00 O ATOM 912 CB GLU A 51 1.351 -21.366 0.493 1.00 0.00 C ATOM 913 CG GLU A 51 0.406 -22.362 1.145 1.00 0.00 C ATOM 914 CD GLU A 51 1.063 -23.704 1.406 1.00 0.00 C ATOM 915 OE1 GLU A 51 1.749 -23.837 2.441 1.00 0.00 O ATOM 916 OE2 GLU A 51 0.890 -24.621 0.575 1.00 0.00 O ATOM 0 H GLU A 51 0.877 -19.255 1.670 1.00 0.00 H new ATOM 0 HA GLU A 51 2.528 -21.425 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.765 -20.574 0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.901 -21.868 -0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.043 -21.950 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.464 -22.506 0.504 1.00 0.00 H new ATOM 923 N LEU A 52 3.754 -19.389 0.012 1.00 0.00 N ATOM 924 CA LEU A 52 4.971 -19.049 -0.720 1.00 0.00 C ATOM 925 C LEU A 52 6.190 -19.035 0.197 1.00 0.00 C ATOM 926 O LEU A 52 6.096 -18.683 1.373 1.00 0.00 O ATOM 927 CB LEU A 52 4.820 -17.696 -1.419 1.00 0.00 C ATOM 928 CG LEU A 52 4.478 -16.520 -0.509 1.00 0.00 C ATOM 929 CD1 LEU A 52 5.693 -15.626 -0.321 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.318 -15.726 -1.085 1.00 0.00 C ATOM 0 H LEU A 52 2.991 -18.721 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 52 5.126 -19.820 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.750 -17.471 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.042 -17.784 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 52 4.181 -16.909 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.433 -14.792 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.501 -16.201 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.017 -15.244 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.086 -14.890 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.591 -15.346 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.444 -16.371 -1.175 1.00 0.00 H new ATOM 942 N PRO A 53 7.358 -19.420 -0.344 1.00 0.00 N ATOM 943 CA PRO A 53 8.620 -19.459 0.409 1.00 0.00 C ATOM 944 C PRO A 53 9.156 -18.076 0.748 1.00 0.00 C ATOM 945 O PRO A 53 10.368 -17.874 0.830 1.00 0.00 O ATOM 946 CB PRO A 53 9.598 -20.124 -0.549 1.00 0.00 C ATOM 947 CG PRO A 53 9.010 -19.982 -1.910 1.00 0.00 C ATOM 948 CD PRO A 53 7.525 -19.853 -1.740 1.00 0.00 C ATOM 0 HA PRO A 53 8.479 -19.974 1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.578 -19.649 -0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.739 -21.174 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.417 -19.106 -2.416 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.253 -20.847 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.106 -19.126 -2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.019 -20.800 -1.926 1.00 0.00 H new ATOM 956 N GLU A 54 8.263 -17.123 0.904 1.00 0.00 N ATOM 957 CA GLU A 54 8.647 -15.745 1.191 1.00 0.00 C ATOM 958 C GLU A 54 9.486 -15.182 0.046 1.00 0.00 C ATOM 959 O GLU A 54 9.983 -14.059 0.128 1.00 0.00 O ATOM 960 CB GLU A 54 9.422 -15.619 2.516 1.00 0.00 C ATOM 961 CG GLU A 54 9.580 -16.916 3.293 1.00 0.00 C ATOM 962 CD GLU A 54 9.722 -16.689 4.784 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.825 -16.303 5.225 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.730 -16.900 5.513 1.00 0.00 O ATOM 0 H GLU A 54 7.256 -17.272 0.837 1.00 0.00 H new ATOM 0 HA GLU A 54 7.727 -15.169 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.413 -15.217 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.913 -14.893 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.716 -17.554 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.456 -17.451 2.926 1.00 0.00 H new ATOM 971 N LYS A 55 9.638 -15.960 -1.029 1.00 0.00 N ATOM 972 CA LYS A 55 10.409 -15.512 -2.175 1.00 0.00 C ATOM 973 C LYS A 55 9.538 -14.672 -3.108 1.00 0.00 C ATOM 974 O LYS A 55 10.046 -13.915 -3.934 1.00 0.00 O ATOM 975 CB LYS A 55 11.006 -16.710 -2.929 1.00 0.00 C ATOM 976 CG LYS A 55 10.068 -17.332 -3.955 1.00 0.00 C ATOM 977 CD LYS A 55 10.292 -16.748 -5.341 1.00 0.00 C ATOM 978 CE LYS A 55 9.380 -17.394 -6.372 1.00 0.00 C ATOM 979 NZ LYS A 55 9.753 -18.813 -6.633 1.00 0.00 N ATOM 0 H LYS A 55 9.239 -16.894 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 55 11.230 -14.891 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.917 -16.390 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.293 -17.473 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.223 -18.411 -3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.034 -17.166 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.112 -15.673 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.332 -16.891 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.348 -17.348 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.427 -16.829 -7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.211 -19.171 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.770 -18.872 -6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.539 -19.388 -5.794 1.00 0.00 H new ATOM 993 N LYS A 56 8.221 -14.811 -2.962 1.00 0.00 N ATOM 994 CA LYS A 56 7.276 -14.064 -3.783 1.00 0.00 C ATOM 995 C LYS A 56 6.996 -12.707 -3.154 1.00 0.00 C ATOM 996 O LYS A 56 6.845 -11.703 -3.851 1.00 0.00 O ATOM 997 CB LYS A 56 5.971 -14.848 -3.943 1.00 0.00 C ATOM 998 CG LYS A 56 6.152 -16.205 -4.602 1.00 0.00 C ATOM 999 CD LYS A 56 4.852 -16.706 -5.213 1.00 0.00 C ATOM 1000 CE LYS A 56 5.097 -17.845 -6.190 1.00 0.00 C ATOM 1001 NZ LYS A 56 4.769 -19.169 -5.594 1.00 0.00 N ATOM 0 H LYS A 56 7.787 -15.435 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 56 7.715 -13.914 -4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.519 -14.988 -2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.272 -14.257 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.916 -16.136 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.510 -16.924 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.183 -17.042 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.351 -15.886 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.495 -17.691 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.141 -17.837 -6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.950 -19.918 -6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.361 -19.328 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.766 -19.187 -5.319 1.00 0.00 H new ATOM 1015 N LYS A 57 6.943 -12.687 -1.827 1.00 0.00 N ATOM 1016 CA LYS A 57 6.697 -11.455 -1.087 1.00 0.00 C ATOM 1017 C LYS A 57 7.774 -10.436 -1.399 1.00 0.00 C ATOM 1018 O LYS A 57 7.487 -9.280 -1.714 1.00 0.00 O ATOM 1019 CB LYS A 57 6.677 -11.730 0.414 1.00 0.00 C ATOM 1020 CG LYS A 57 5.469 -12.523 0.857 1.00 0.00 C ATOM 1021 CD LYS A 57 5.746 -13.283 2.142 1.00 0.00 C ATOM 1022 CE LYS A 57 4.515 -14.030 2.624 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.391 -13.999 4.107 1.00 0.00 N ATOM 0 H LYS A 57 7.067 -13.512 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 57 5.727 -11.060 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.581 -12.273 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.698 -10.782 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.625 -11.850 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.184 -13.224 0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.561 -13.989 1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.076 -12.587 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.624 -13.589 2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.563 -15.065 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.068 -14.927 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.316 -13.778 4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.702 -13.270 4.383 1.00 0.00 H new ATOM 1037 N MET A 58 9.020 -10.886 -1.325 1.00 0.00 N ATOM 1038 CA MET A 58 10.168 -10.031 -1.610 1.00 0.00 C ATOM 1039 C MET A 58 9.916 -9.184 -2.854 1.00 0.00 C ATOM 1040 O MET A 58 10.438 -8.076 -2.985 1.00 0.00 O ATOM 1041 CB MET A 58 11.416 -10.887 -1.808 1.00 0.00 C ATOM 1042 CG MET A 58 12.167 -11.176 -0.519 1.00 0.00 C ATOM 1043 SD MET A 58 13.682 -12.115 -0.794 1.00 0.00 S ATOM 1044 CE MET A 58 14.896 -10.797 -0.823 1.00 0.00 C ATOM 0 H MET A 58 9.263 -11.843 -1.069 1.00 0.00 H new ATOM 0 HA MET A 58 10.319 -9.362 -0.763 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.129 -11.831 -2.271 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.086 -10.382 -2.504 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.412 -10.235 -0.027 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.518 -11.731 0.159 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.888 -11.219 -0.985 1.00 0.00 H new ATOM 0 HE2 MET A 58 14.661 -10.103 -1.630 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.879 -10.266 0.129 1.00 0.00 H new ATOM 1054 N LYS A 59 9.099 -9.714 -3.757 1.00 0.00 N ATOM 1055 CA LYS A 59 8.756 -9.016 -4.988 1.00 0.00 C ATOM 1056 C LYS A 59 7.647 -8.001 -4.732 1.00 0.00 C ATOM 1057 O LYS A 59 7.707 -6.862 -5.191 1.00 0.00 O ATOM 1058 CB LYS A 59 8.332 -10.033 -6.056 1.00 0.00 C ATOM 1059 CG LYS A 59 6.902 -9.877 -6.564 1.00 0.00 C ATOM 1060 CD LYS A 59 6.681 -10.656 -7.853 1.00 0.00 C ATOM 1061 CE LYS A 59 5.692 -11.796 -7.663 1.00 0.00 C ATOM 1062 NZ LYS A 59 4.485 -11.632 -8.519 1.00 0.00 N ATOM 0 H LYS A 59 8.660 -10.630 -3.658 1.00 0.00 H new ATOM 0 HA LYS A 59 9.630 -8.474 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.013 -9.953 -6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.449 -11.037 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.204 -10.225 -5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.688 -8.822 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.314 -9.982 -8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.633 -11.055 -8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.179 -12.742 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.391 -11.845 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.631 -11.813 -7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.454 -10.662 -8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.526 -12.307 -9.310 1.00 0.00 H new ATOM 1076 N TYR A 60 6.632 -8.433 -4.001 1.00 0.00 N ATOM 1077 CA TYR A 60 5.498 -7.574 -3.679 1.00 0.00 C ATOM 1078 C TYR A 60 5.911 -6.427 -2.768 1.00 0.00 C ATOM 1079 O TYR A 60 5.593 -5.268 -3.033 1.00 0.00 O ATOM 1080 CB TYR A 60 4.399 -8.383 -3.004 1.00 0.00 C ATOM 1081 CG TYR A 60 3.984 -9.611 -3.777 1.00 0.00 C ATOM 1082 CD1 TYR A 60 3.727 -9.539 -5.139 1.00 0.00 C ATOM 1083 CD2 TYR A 60 3.848 -10.842 -3.148 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.350 -10.658 -5.853 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.473 -11.966 -3.854 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.224 -11.869 -5.207 1.00 0.00 C ATOM 1087 OH TYR A 60 2.849 -12.988 -5.916 1.00 0.00 O ATOM 0 H TYR A 60 6.568 -9.376 -3.617 1.00 0.00 H new ATOM 0 HA TYR A 60 5.126 -7.156 -4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.740 -8.686 -2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.528 -7.745 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.824 -8.592 -5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.039 -10.920 -2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.155 -10.585 -6.913 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.375 -12.916 -3.350 1.00 0.00 H new ATOM 0 HH TYR A 60 1.896 -13.163 -5.771 1.00 0.00 H new ATOM 1097 N ILE A 61 6.614 -6.751 -1.683 1.00 0.00 N ATOM 1098 CA ILE A 61 7.051 -5.727 -0.741 1.00 0.00 C ATOM 1099 C ILE A 61 7.948 -4.718 -1.442 1.00 0.00 C ATOM 1100 O ILE A 61 7.870 -3.518 -1.180 1.00 0.00 O ATOM 1101 CB ILE A 61 7.793 -6.319 0.479 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.824 -7.087 1.387 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.473 -5.211 1.272 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.097 -8.222 0.700 1.00 0.00 C ATOM 0 H ILE A 61 6.889 -7.702 -1.438 1.00 0.00 H new ATOM 0 HA ILE A 61 6.152 -5.235 -0.370 1.00 0.00 H new ATOM 0 HB ILE A 61 8.549 -7.013 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.379 -7.487 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.089 -6.389 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.992 -5.642 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.191 -4.696 0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.723 -4.501 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.433 -8.712 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.512 -7.829 -0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.822 -8.944 0.324 1.00 0.00 H new ATOM 1116 N GLN A 62 8.784 -5.206 -2.354 1.00 0.00 N ATOM 1117 CA GLN A 62 9.663 -4.330 -3.104 1.00 0.00 C ATOM 1118 C GLN A 62 8.824 -3.471 -4.031 1.00 0.00 C ATOM 1119 O GLN A 62 9.194 -2.348 -4.369 1.00 0.00 O ATOM 1120 CB GLN A 62 10.699 -5.136 -3.899 1.00 0.00 C ATOM 1121 CG GLN A 62 10.156 -5.814 -5.146 1.00 0.00 C ATOM 1122 CD GLN A 62 11.154 -5.824 -6.287 1.00 0.00 C ATOM 1123 OE1 GLN A 62 10.795 -5.601 -7.443 1.00 0.00 O ATOM 1124 NE2 GLN A 62 12.416 -6.084 -5.966 1.00 0.00 N ATOM 0 H GLN A 62 8.867 -6.196 -2.587 1.00 0.00 H new ATOM 0 HA GLN A 62 10.211 -3.692 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.512 -4.471 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.127 -5.896 -3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.876 -6.839 -4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.248 -5.303 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.669 -6.263 -4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.133 -6.105 -6.691 1.00 0.00 H new ATOM 1133 N ASP A 63 7.679 -4.016 -4.425 1.00 0.00 N ATOM 1134 CA ASP A 63 6.759 -3.311 -5.300 1.00 0.00 C ATOM 1135 C ASP A 63 5.935 -2.308 -4.501 1.00 0.00 C ATOM 1136 O ASP A 63 5.474 -1.298 -5.033 1.00 0.00 O ATOM 1137 CB ASP A 63 5.839 -4.302 -6.017 1.00 0.00 C ATOM 1138 CG ASP A 63 6.234 -4.516 -7.464 1.00 0.00 C ATOM 1139 OD1 ASP A 63 7.292 -5.138 -7.705 1.00 0.00 O ATOM 1140 OD2 ASP A 63 5.488 -4.063 -8.357 1.00 0.00 O ATOM 0 H ASP A 63 7.368 -4.947 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 63 7.337 -2.770 -6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.860 -5.257 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.813 -3.937 -5.974 1.00 0.00 H new ATOM 1145 N PHE A 64 5.760 -2.597 -3.215 1.00 0.00 N ATOM 1146 CA PHE A 64 5.000 -1.730 -2.327 1.00 0.00 C ATOM 1147 C PHE A 64 5.875 -0.579 -1.834 1.00 0.00 C ATOM 1148 O PHE A 64 5.419 0.557 -1.713 1.00 0.00 O ATOM 1149 CB PHE A 64 4.457 -2.550 -1.146 1.00 0.00 C ATOM 1150 CG PHE A 64 4.714 -1.944 0.207 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.868 -0.974 0.720 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.802 -2.348 0.959 1.00 0.00 C ATOM 1153 CE1 PHE A 64 4.105 -0.418 1.962 1.00 0.00 C ATOM 1154 CE2 PHE A 64 6.045 -1.797 2.204 1.00 0.00 C ATOM 1155 CZ PHE A 64 5.196 -0.830 2.705 1.00 0.00 C ATOM 0 H PHE A 64 6.138 -3.431 -2.765 1.00 0.00 H new ATOM 0 HA PHE A 64 4.158 -1.304 -2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.382 -2.679 -1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.903 -3.544 -1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.015 -0.649 0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.470 -3.102 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.439 0.337 2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.897 -2.122 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.384 -0.396 3.676 1.00 0.00 H new ATOM 1165 N GLN A 65 7.134 -0.889 -1.544 1.00 0.00 N ATOM 1166 CA GLN A 65 8.078 0.107 -1.059 1.00 0.00 C ATOM 1167 C GLN A 65 8.587 0.984 -2.202 1.00 0.00 C ATOM 1168 O GLN A 65 8.814 2.180 -2.024 1.00 0.00 O ATOM 1169 CB GLN A 65 9.250 -0.578 -0.353 1.00 0.00 C ATOM 1170 CG GLN A 65 10.147 -1.368 -1.289 1.00 0.00 C ATOM 1171 CD GLN A 65 11.458 -1.768 -0.641 1.00 0.00 C ATOM 1172 OE1 GLN A 65 12.498 -1.156 -0.886 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.416 -2.802 0.192 1.00 0.00 N ATOM 0 H GLN A 65 7.524 -1.827 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 65 7.560 0.749 -0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.847 0.178 0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.860 -1.247 0.414 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.621 -2.264 -1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.352 -0.772 -2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.532 -3.281 0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.267 -3.117 0.657 1.00 0.00 H new ATOM 1182 N ARG A 66 8.764 0.382 -3.375 1.00 0.00 N ATOM 1183 CA ARG A 66 9.245 1.115 -4.543 1.00 0.00 C ATOM 1184 C ARG A 66 8.307 2.265 -4.884 1.00 0.00 C ATOM 1185 O ARG A 66 8.737 3.408 -5.035 1.00 0.00 O ATOM 1186 CB ARG A 66 9.380 0.180 -5.748 1.00 0.00 C ATOM 1187 CG ARG A 66 10.779 -0.388 -5.921 1.00 0.00 C ATOM 1188 CD ARG A 66 11.187 -0.427 -7.386 1.00 0.00 C ATOM 1189 NE ARG A 66 12.623 -0.640 -7.547 1.00 0.00 N ATOM 1190 CZ ARG A 66 13.192 -1.023 -8.688 1.00 0.00 C ATOM 1191 NH1 ARG A 66 12.452 -1.234 -9.768 1.00 0.00 N ATOM 1192 NH2 ARG A 66 14.506 -1.195 -8.747 1.00 0.00 N ATOM 0 H ARG A 66 8.582 -0.608 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 66 10.226 1.524 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.673 -0.643 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.102 0.723 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.491 0.218 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.818 -1.394 -5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.643 -1.224 -7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.903 0.509 -7.867 1.00 0.00 H new ATOM 0 HE ARG A 66 13.225 -0.486 -6.738 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.441 -1.103 -9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.894 -1.527 -10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.079 -1.034 -7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.943 -1.488 -9.621 1.00 0.00 H new ATOM 1206 N GLU A 67 7.019 1.955 -5.002 1.00 0.00 N ATOM 1207 CA GLU A 67 6.018 2.963 -5.324 1.00 0.00 C ATOM 1208 C GLU A 67 6.082 4.122 -4.333 1.00 0.00 C ATOM 1209 O GLU A 67 6.183 5.283 -4.729 1.00 0.00 O ATOM 1210 CB GLU A 67 4.620 2.342 -5.318 1.00 0.00 C ATOM 1211 CG GLU A 67 3.855 2.556 -6.613 1.00 0.00 C ATOM 1212 CD GLU A 67 2.882 3.715 -6.532 1.00 0.00 C ATOM 1213 OE1 GLU A 67 2.275 3.906 -5.457 1.00 0.00 O ATOM 1214 OE2 GLU A 67 2.727 4.431 -7.542 1.00 0.00 O ATOM 0 H GLU A 67 6.646 1.014 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 67 6.229 3.349 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.707 1.272 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.047 2.765 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.562 2.736 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.310 1.646 -6.863 1.00 0.00 H new ATOM 1221 N LYS A 68 6.026 3.797 -3.046 1.00 0.00 N ATOM 1222 CA LYS A 68 6.081 4.808 -1.999 1.00 0.00 C ATOM 1223 C LYS A 68 7.383 5.591 -2.070 1.00 0.00 C ATOM 1224 O LYS A 68 7.431 6.776 -1.741 1.00 0.00 O ATOM 1225 CB LYS A 68 5.932 4.157 -0.621 1.00 0.00 C ATOM 1226 CG LYS A 68 4.735 4.664 0.167 1.00 0.00 C ATOM 1227 CD LYS A 68 5.160 5.305 1.480 1.00 0.00 C ATOM 1228 CE LYS A 68 4.290 6.503 1.826 1.00 0.00 C ATOM 1229 NZ LYS A 68 3.932 6.530 3.271 1.00 0.00 N ATOM 0 H LYS A 68 5.942 2.840 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 68 5.254 5.501 -2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.843 3.078 -0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.839 4.337 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.185 5.390 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.054 3.837 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.101 4.568 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.202 5.619 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.816 7.421 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.380 6.476 1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.339 7.362 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.408 5.666 3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.799 6.582 3.843 1.00 0.00 H new