USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 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 62 GLN : amide:sc= -0.672 K(o=-1.3,f=0) USER MOD Set 1.2: A 65 GLN : amide:sc= -0.65 K(o=-1.3,f=0) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -7.21! C(o=-7.3!,f=-12!) USER MOD Set 2.2: A 36 MET CE :methyl 146:sc= -0.0666 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.773 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -0.327 (180deg=-1.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= -0.362 (180deg=-1.23!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.5) USER MOD Single : A 42 THR OG1 : rot 90:sc= 1.08 USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.338 (180deg=-1.54!) USER MOD Single : A 46 SER OG : rot -9:sc= 0.294 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 153:sc= -0.38 (180deg=-1.56!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 155:sc= -0.346 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 249 N PRO A 14 -0.085 3.977 -1.304 1.00 0.00 N ATOM 250 CA PRO A 14 -0.001 2.634 -1.883 1.00 0.00 C ATOM 251 C PRO A 14 -0.600 1.582 -0.959 1.00 0.00 C ATOM 252 O PRO A 14 -0.962 1.874 0.179 1.00 0.00 O ATOM 253 CB PRO A 14 1.504 2.395 -2.059 1.00 0.00 C ATOM 254 CG PRO A 14 2.166 3.408 -1.191 1.00 0.00 C ATOM 255 CD PRO A 14 1.246 4.594 -1.163 1.00 0.00 C ATOM 0 HA PRO A 14 -0.559 2.560 -2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.779 1.383 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.802 2.514 -3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.327 3.016 -0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.144 3.682 -1.587 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.336 5.154 -0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.458 5.290 -1.975 1.00 0.00 H new ATOM 263 N LEU A 15 -0.701 0.355 -1.455 1.00 0.00 N ATOM 264 CA LEU A 15 -1.256 -0.740 -0.667 1.00 0.00 C ATOM 265 C LEU A 15 -0.161 -1.717 -0.262 1.00 0.00 C ATOM 266 O LEU A 15 0.967 -1.640 -0.751 1.00 0.00 O ATOM 267 CB LEU A 15 -2.348 -1.478 -1.449 1.00 0.00 C ATOM 268 CG LEU A 15 -3.043 -0.660 -2.543 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.509 -1.043 -3.914 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.550 -0.858 -2.482 1.00 0.00 C ATOM 0 H LEU A 15 -0.407 0.093 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.700 -0.313 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.907 -2.364 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.103 -1.826 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.829 0.395 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.013 -0.453 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.437 -0.849 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.693 -2.102 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.026 -0.269 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.785 -1.913 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.920 -0.534 -1.509 1.00 0.00 H new ATOM 282 N THR A 16 -0.500 -2.640 0.628 1.00 0.00 N ATOM 283 CA THR A 16 0.454 -3.637 1.093 1.00 0.00 C ATOM 284 C THR A 16 0.617 -4.741 0.056 1.00 0.00 C ATOM 285 O THR A 16 -0.219 -4.889 -0.835 1.00 0.00 O ATOM 286 CB THR A 16 -0.002 -4.232 2.426 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.077 -5.133 2.231 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.452 -3.189 3.424 1.00 0.00 C ATOM 0 H THR A 16 -1.429 -2.719 1.042 1.00 0.00 H new ATOM 0 HA THR A 16 1.417 -3.149 1.239 1.00 0.00 H new ATOM 0 HB THR A 16 0.873 -4.742 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.354 -5.504 3.095 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.762 -3.679 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.372 -2.507 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.291 -2.628 3.011 1.00 0.00 H new ATOM 296 N PRO A 17 1.691 -5.541 0.158 1.00 0.00 N ATOM 297 CA PRO A 17 1.938 -6.634 -0.780 1.00 0.00 C ATOM 298 C PRO A 17 0.767 -7.603 -0.819 1.00 0.00 C ATOM 299 O PRO A 17 0.421 -8.137 -1.872 1.00 0.00 O ATOM 300 CB PRO A 17 3.193 -7.322 -0.237 1.00 0.00 C ATOM 301 CG PRO A 17 3.834 -6.321 0.666 1.00 0.00 C ATOM 302 CD PRO A 17 2.732 -5.449 1.195 1.00 0.00 C ATOM 0 HA PRO A 17 2.064 -6.277 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.939 -8.233 0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.865 -7.609 -1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.360 -6.817 1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.571 -5.728 0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.369 -5.802 2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.067 -4.421 1.337 1.00 0.00 H new ATOM 310 N TYR A 18 0.147 -7.809 0.339 1.00 0.00 N ATOM 311 CA TYR A 18 -1.002 -8.695 0.438 1.00 0.00 C ATOM 312 C TYR A 18 -2.203 -8.071 -0.264 1.00 0.00 C ATOM 313 O TYR A 18 -3.045 -8.772 -0.825 1.00 0.00 O ATOM 314 CB TYR A 18 -1.337 -8.978 1.906 1.00 0.00 C ATOM 315 CG TYR A 18 -2.533 -9.887 2.094 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.805 -10.906 1.190 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.387 -9.724 3.176 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.896 -11.738 1.360 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.481 -10.552 3.354 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.731 -11.557 2.443 1.00 0.00 C ATOM 321 OH TYR A 18 -5.818 -12.383 2.615 1.00 0.00 O ATOM 0 H TYR A 18 0.423 -7.374 1.219 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.757 -9.639 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.469 -9.430 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.527 -8.033 2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.154 -11.051 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.194 -8.938 3.891 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.094 -12.526 0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.136 -10.412 4.202 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.302 -12.122 3.426 1.00 0.00 H new ATOM 331 N PHE A 19 -2.263 -6.740 -0.237 1.00 0.00 N ATOM 332 CA PHE A 19 -3.346 -6.009 -0.879 1.00 0.00 C ATOM 333 C PHE A 19 -3.223 -6.110 -2.395 1.00 0.00 C ATOM 334 O PHE A 19 -4.130 -6.592 -3.071 1.00 0.00 O ATOM 335 CB PHE A 19 -3.332 -4.542 -0.444 1.00 0.00 C ATOM 336 CG PHE A 19 -4.414 -4.200 0.539 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.749 -4.307 0.184 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.099 -3.773 1.819 1.00 0.00 C ATOM 339 CE1 PHE A 19 -6.748 -3.994 1.085 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.093 -3.458 2.725 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.420 -3.571 2.358 1.00 0.00 C ATOM 0 H PHE A 19 -1.572 -6.149 0.224 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.293 -6.453 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.363 -4.312 -0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.438 -3.909 -1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.012 -4.639 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.063 -3.685 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.785 -4.080 0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.833 -3.124 3.719 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.199 -3.329 3.065 1.00 0.00 H new ATOM 351 N ARG A 20 -2.086 -5.664 -2.922 1.00 0.00 N ATOM 352 CA ARG A 20 -1.840 -5.722 -4.361 1.00 0.00 C ATOM 353 C ARG A 20 -1.886 -7.167 -4.852 1.00 0.00 C ATOM 354 O ARG A 20 -2.098 -7.427 -6.035 1.00 0.00 O ATOM 355 CB ARG A 20 -0.482 -5.098 -4.703 1.00 0.00 C ATOM 356 CG ARG A 20 0.606 -5.403 -3.685 1.00 0.00 C ATOM 357 CD ARG A 20 1.991 -5.336 -4.308 1.00 0.00 C ATOM 358 NE ARG A 20 2.091 -6.164 -5.508 1.00 0.00 N ATOM 359 CZ ARG A 20 2.127 -5.682 -6.750 1.00 0.00 C ATOM 360 NH1 ARG A 20 2.059 -4.374 -6.971 1.00 0.00 N ATOM 361 NH2 ARG A 20 2.227 -6.513 -7.778 1.00 0.00 N ATOM 0 H ARG A 20 -1.324 -5.260 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.623 -5.153 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.163 -5.458 -5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.599 -4.017 -4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.543 -4.693 -2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.443 -6.395 -3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.226 -4.302 -4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.733 -5.662 -3.579 1.00 0.00 H new ATOM 0 HE ARG A 20 2.136 -7.176 -5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.978 -3.728 -6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.087 -4.016 -7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.276 -7.519 -7.618 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.255 -6.146 -8.729 1.00 0.00 H new ATOM 375 N PHE A 21 -1.688 -8.102 -3.926 1.00 0.00 N ATOM 376 CA PHE A 21 -1.707 -9.526 -4.240 1.00 0.00 C ATOM 377 C PHE A 21 -3.139 -10.042 -4.285 1.00 0.00 C ATOM 378 O PHE A 21 -3.486 -10.899 -5.101 1.00 0.00 O ATOM 379 CB PHE A 21 -0.908 -10.288 -3.181 1.00 0.00 C ATOM 380 CG PHE A 21 -0.837 -11.769 -3.406 1.00 0.00 C ATOM 381 CD1 PHE A 21 0.093 -12.302 -4.279 1.00 0.00 C ATOM 382 CD2 PHE A 21 -1.689 -12.629 -2.732 1.00 0.00 C ATOM 383 CE1 PHE A 21 0.175 -13.664 -4.480 1.00 0.00 C ATOM 384 CE2 PHE A 21 -1.612 -13.995 -2.927 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.678 -14.514 -3.803 1.00 0.00 C ATOM 0 H PHE A 21 -1.511 -7.895 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.255 -9.682 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.106 -9.888 -3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.353 -10.102 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.764 -11.643 -4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.421 -12.228 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.906 -14.066 -5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.281 -14.656 -2.396 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.615 -15.581 -3.958 1.00 0.00 H new ATOM 395 N PHE A 22 -3.970 -9.499 -3.406 1.00 0.00 N ATOM 396 CA PHE A 22 -5.366 -9.884 -3.330 1.00 0.00 C ATOM 397 C PHE A 22 -6.165 -9.123 -4.378 1.00 0.00 C ATOM 398 O PHE A 22 -6.948 -9.701 -5.130 1.00 0.00 O ATOM 399 CB PHE A 22 -5.895 -9.592 -1.918 1.00 0.00 C ATOM 400 CG PHE A 22 -7.386 -9.711 -1.762 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.237 -8.781 -2.337 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.935 -10.749 -1.025 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.605 -8.885 -2.183 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.303 -10.856 -0.865 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.139 -9.924 -1.445 1.00 0.00 C ATOM 0 H PHE A 22 -3.695 -8.785 -2.732 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.470 -10.951 -3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.416 -10.276 -1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.594 -8.583 -1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.825 -7.965 -2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.286 -11.483 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.257 -8.155 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.718 -11.668 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.209 -10.006 -1.322 1.00 0.00 H new ATOM 415 N MET A 23 -5.944 -7.820 -4.411 1.00 0.00 N ATOM 416 CA MET A 23 -6.618 -6.933 -5.347 1.00 0.00 C ATOM 417 C MET A 23 -6.319 -7.308 -6.800 1.00 0.00 C ATOM 418 O MET A 23 -7.127 -7.047 -7.691 1.00 0.00 O ATOM 419 CB MET A 23 -6.192 -5.489 -5.054 1.00 0.00 C ATOM 420 CG MET A 23 -5.138 -4.934 -6.003 1.00 0.00 C ATOM 421 SD MET A 23 -5.848 -4.248 -7.510 1.00 0.00 S ATOM 422 CE MET A 23 -4.469 -4.416 -8.640 1.00 0.00 C ATOM 0 H MET A 23 -5.291 -7.345 -3.788 1.00 0.00 H new ATOM 0 HA MET A 23 -7.695 -7.033 -5.214 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.073 -4.849 -5.096 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.808 -5.437 -4.035 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.566 -4.160 -5.491 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.438 -5.727 -6.265 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.753 -4.033 -9.620 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.618 -3.850 -8.262 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.196 -5.468 -8.726 1.00 0.00 H new ATOM 432 N GLU A 24 -5.154 -7.907 -7.038 1.00 0.00 N ATOM 433 CA GLU A 24 -4.762 -8.295 -8.389 1.00 0.00 C ATOM 434 C GLU A 24 -5.319 -9.666 -8.764 1.00 0.00 C ATOM 435 O GLU A 24 -5.688 -9.898 -9.915 1.00 0.00 O ATOM 436 CB GLU A 24 -3.236 -8.294 -8.518 1.00 0.00 C ATOM 437 CG GLU A 24 -2.553 -9.453 -7.808 1.00 0.00 C ATOM 438 CD GLU A 24 -2.288 -10.627 -8.729 1.00 0.00 C ATOM 439 OE1 GLU A 24 -3.010 -10.766 -9.738 1.00 0.00 O ATOM 440 OE2 GLU A 24 -1.356 -11.408 -8.442 1.00 0.00 O ATOM 0 H GLU A 24 -4.469 -8.133 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.182 -7.564 -9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.971 -8.322 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.849 -7.357 -8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.610 -9.109 -7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.176 -9.782 -6.976 1.00 0.00 H new ATOM 447 N LYS A 25 -5.373 -10.572 -7.793 1.00 0.00 N ATOM 448 CA LYS A 25 -5.881 -11.917 -8.040 1.00 0.00 C ATOM 449 C LYS A 25 -7.392 -11.990 -7.871 1.00 0.00 C ATOM 450 O LYS A 25 -8.006 -13.027 -8.125 1.00 0.00 O ATOM 451 CB LYS A 25 -5.203 -12.914 -7.108 1.00 0.00 C ATOM 452 CG LYS A 25 -4.116 -13.704 -7.800 1.00 0.00 C ATOM 453 CD LYS A 25 -2.875 -13.839 -6.931 1.00 0.00 C ATOM 454 CE LYS A 25 -2.731 -15.249 -6.378 1.00 0.00 C ATOM 455 NZ LYS A 25 -2.796 -16.276 -7.456 1.00 0.00 N ATOM 0 H LYS A 25 -5.073 -10.401 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.650 -12.172 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.776 -12.381 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.950 -13.601 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.492 -14.695 -8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.852 -13.215 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.991 -13.585 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.928 -13.128 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.782 -15.337 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.520 -15.436 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.183 -17.079 -7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.776 -16.608 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.474 -15.859 -8.353 1.00 0.00 H new ATOM 469 N ARG A 26 -7.988 -10.885 -7.454 1.00 0.00 N ATOM 470 CA ARG A 26 -9.430 -10.827 -7.264 1.00 0.00 C ATOM 471 C ARG A 26 -10.134 -11.011 -8.595 1.00 0.00 C ATOM 472 O ARG A 26 -11.146 -11.704 -8.693 1.00 0.00 O ATOM 473 CB ARG A 26 -9.846 -9.487 -6.645 1.00 0.00 C ATOM 474 CG ARG A 26 -9.962 -9.495 -5.123 1.00 0.00 C ATOM 475 CD ARG A 26 -10.544 -10.797 -4.592 1.00 0.00 C ATOM 476 NE ARG A 26 -11.582 -11.342 -5.463 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.771 -10.772 -5.651 1.00 0.00 C ATOM 478 NH1 ARG A 26 -13.084 -9.646 -5.019 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.653 -11.334 -6.467 1.00 0.00 N ATOM 0 H ARG A 26 -7.497 -10.017 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.717 -11.629 -6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.121 -8.727 -6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.806 -9.190 -7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.976 -9.336 -4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.590 -8.663 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.745 -11.530 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.960 -10.627 -3.599 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.384 -12.212 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.412 -9.213 -4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.996 -9.215 -5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.420 -12.202 -6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.564 -10.898 -6.612 1.00 0.00 H new ATOM 493 N ALA A 27 -9.577 -10.383 -9.621 1.00 0.00 N ATOM 494 CA ALA A 27 -10.131 -10.468 -10.965 1.00 0.00 C ATOM 495 C ALA A 27 -10.232 -11.918 -11.413 1.00 0.00 C ATOM 496 O ALA A 27 -11.190 -12.314 -12.077 1.00 0.00 O ATOM 497 CB ALA A 27 -9.264 -9.683 -11.934 1.00 0.00 C ATOM 0 H ALA A 27 -8.739 -9.807 -9.548 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.133 -10.040 -10.954 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.685 -9.752 -12.937 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.229 -8.638 -11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.255 -10.095 -11.935 1.00 0.00 H new ATOM 503 N LYS A 28 -9.230 -12.704 -11.042 1.00 0.00 N ATOM 504 CA LYS A 28 -9.192 -14.118 -11.400 1.00 0.00 C ATOM 505 C LYS A 28 -10.129 -14.947 -10.521 1.00 0.00 C ATOM 506 O LYS A 28 -10.399 -16.112 -10.816 1.00 0.00 O ATOM 507 CB LYS A 28 -7.763 -14.655 -11.283 1.00 0.00 C ATOM 508 CG LYS A 28 -6.914 -14.413 -12.521 1.00 0.00 C ATOM 509 CD LYS A 28 -7.457 -15.158 -13.732 1.00 0.00 C ATOM 510 CE LYS A 28 -7.559 -16.652 -13.472 1.00 0.00 C ATOM 511 NZ LYS A 28 -7.229 -17.450 -14.684 1.00 0.00 N ATOM 0 H LYS A 28 -8.431 -12.387 -10.493 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.531 -14.206 -12.432 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.279 -14.189 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.802 -15.726 -11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.881 -13.345 -12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.890 -14.731 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.440 -14.765 -13.990 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.808 -14.981 -14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.884 -16.926 -12.662 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.569 -16.895 -13.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.310 -18.463 -14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.889 -17.207 -15.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.256 -17.238 -14.985 1.00 0.00 H new ATOM 525 N TYR A 29 -10.619 -14.346 -9.438 1.00 0.00 N ATOM 526 CA TYR A 29 -11.518 -15.039 -8.521 1.00 0.00 C ATOM 527 C TYR A 29 -12.969 -14.647 -8.765 1.00 0.00 C ATOM 528 O TYR A 29 -13.877 -15.458 -8.591 1.00 0.00 O ATOM 529 CB TYR A 29 -11.134 -14.735 -7.077 1.00 0.00 C ATOM 530 CG TYR A 29 -9.863 -15.411 -6.638 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.701 -16.784 -6.757 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.823 -14.670 -6.105 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.533 -17.400 -6.355 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.654 -15.274 -5.702 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.512 -16.640 -5.826 1.00 0.00 C ATOM 536 OH TYR A 29 -6.345 -17.247 -5.423 1.00 0.00 O ATOM 0 H TYR A 29 -10.408 -13.383 -9.176 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.420 -16.109 -8.703 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.022 -13.657 -6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.947 -15.046 -6.420 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.501 -17.380 -7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.930 -13.600 -6.004 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.420 -18.469 -6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.851 -14.681 -5.290 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.728 -16.570 -5.075 1.00 0.00 H new ATOM 546 N ALA A 30 -13.182 -13.403 -9.181 1.00 0.00 N ATOM 547 CA ALA A 30 -14.525 -12.918 -9.458 1.00 0.00 C ATOM 548 C ALA A 30 -15.072 -13.581 -10.713 1.00 0.00 C ATOM 549 O ALA A 30 -16.271 -13.538 -10.988 1.00 0.00 O ATOM 550 CB ALA A 30 -14.516 -11.406 -9.616 1.00 0.00 C ATOM 0 H ALA A 30 -12.443 -12.716 -9.333 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.172 -13.174 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.527 -11.056 -9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.154 -10.946 -8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.860 -11.130 -10.442 1.00 0.00 H new ATOM 556 N LYS A 31 -14.170 -14.193 -11.469 1.00 0.00 N ATOM 557 CA LYS A 31 -14.526 -14.872 -12.703 1.00 0.00 C ATOM 558 C LYS A 31 -14.413 -16.386 -12.545 1.00 0.00 C ATOM 559 O LYS A 31 -15.098 -17.147 -13.229 1.00 0.00 O ATOM 560 CB LYS A 31 -13.608 -14.389 -13.821 1.00 0.00 C ATOM 561 CG LYS A 31 -14.346 -13.700 -14.957 1.00 0.00 C ATOM 562 CD LYS A 31 -13.804 -12.303 -15.207 1.00 0.00 C ATOM 563 CE LYS A 31 -14.183 -11.797 -16.590 1.00 0.00 C ATOM 564 NZ LYS A 31 -13.850 -12.786 -17.653 1.00 0.00 N ATOM 0 H LYS A 31 -13.176 -14.232 -11.244 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.562 -14.638 -12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.873 -13.700 -13.405 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.056 -15.240 -14.220 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.254 -14.295 -15.866 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.408 -13.642 -14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.191 -11.621 -14.450 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.719 -12.309 -15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.251 -11.580 -16.617 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.662 -10.860 -16.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.698 -12.289 -18.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.984 -13.299 -17.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.634 -13.461 -17.757 1.00 0.00 H new ATOM 578 N LEU A 32 -13.533 -16.814 -11.646 1.00 0.00 N ATOM 579 CA LEU A 32 -13.313 -18.235 -11.401 1.00 0.00 C ATOM 580 C LEU A 32 -14.211 -18.770 -10.284 1.00 0.00 C ATOM 581 O LEU A 32 -14.189 -19.964 -9.987 1.00 0.00 O ATOM 582 CB LEU A 32 -11.846 -18.482 -11.049 1.00 0.00 C ATOM 583 CG LEU A 32 -11.454 -19.954 -10.896 1.00 0.00 C ATOM 584 CD1 LEU A 32 -10.399 -20.339 -11.923 1.00 0.00 C ATOM 585 CD2 LEU A 32 -10.950 -20.230 -9.485 1.00 0.00 C ATOM 0 H LEU A 32 -12.959 -16.195 -11.073 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.569 -18.769 -12.316 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.222 -18.035 -11.823 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.620 -17.963 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.341 -20.563 -11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.135 -21.389 -11.797 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.794 -20.182 -12.927 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.512 -19.722 -11.782 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.676 -21.281 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.077 -19.609 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.735 -19.997 -8.766 1.00 0.00 H new ATOM 597 N HIS A 33 -15.000 -17.893 -9.666 1.00 0.00 N ATOM 598 CA HIS A 33 -15.895 -18.310 -8.589 1.00 0.00 C ATOM 599 C HIS A 33 -17.358 -18.094 -8.973 1.00 0.00 C ATOM 600 O HIS A 33 -18.090 -17.379 -8.285 1.00 0.00 O ATOM 601 CB HIS A 33 -15.571 -17.554 -7.295 1.00 0.00 C ATOM 602 CG HIS A 33 -14.322 -18.034 -6.624 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.294 -18.491 -5.321 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.050 -18.130 -7.082 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.059 -18.845 -5.008 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.287 -18.636 -6.058 1.00 0.00 N ATOM 0 H HIS A 33 -15.038 -16.899 -9.890 1.00 0.00 H new ATOM 0 HA HIS A 33 -15.740 -19.376 -8.422 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.469 -16.492 -7.519 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.408 -17.655 -6.604 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.702 -17.859 -8.068 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.737 -19.238 -4.055 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.285 -18.821 -6.102 1.00 0.00 H new ATOM 615 N PRO A 34 -17.809 -18.716 -10.077 1.00 0.00 N ATOM 616 CA PRO A 34 -19.194 -18.592 -10.543 1.00 0.00 C ATOM 617 C PRO A 34 -20.171 -19.316 -9.626 1.00 0.00 C ATOM 618 O PRO A 34 -21.325 -18.909 -9.482 1.00 0.00 O ATOM 619 CB PRO A 34 -19.166 -19.252 -11.922 1.00 0.00 C ATOM 620 CG PRO A 34 -18.042 -20.225 -11.848 1.00 0.00 C ATOM 621 CD PRO A 34 -17.010 -19.593 -10.956 1.00 0.00 C ATOM 0 HA PRO A 34 -19.530 -17.555 -10.562 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.109 -19.752 -12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.003 -18.517 -12.710 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.377 -21.180 -11.442 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.633 -20.426 -12.838 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -16.460 -20.341 -10.385 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.276 -19.027 -11.529 1.00 0.00 H new ATOM 629 N GLU A 35 -19.700 -20.393 -9.005 1.00 0.00 N ATOM 630 CA GLU A 35 -20.528 -21.178 -8.097 1.00 0.00 C ATOM 631 C GLU A 35 -20.072 -20.994 -6.653 1.00 0.00 C ATOM 632 O GLU A 35 -20.350 -21.830 -5.792 1.00 0.00 O ATOM 633 CB GLU A 35 -20.479 -22.658 -8.477 1.00 0.00 C ATOM 634 CG GLU A 35 -20.667 -22.913 -9.962 1.00 0.00 C ATOM 635 CD GLU A 35 -20.087 -24.241 -10.407 1.00 0.00 C ATOM 636 OE1 GLU A 35 -20.753 -25.277 -10.207 1.00 0.00 O ATOM 637 OE2 GLU A 35 -18.963 -24.243 -10.954 1.00 0.00 O ATOM 0 H GLU A 35 -18.748 -20.742 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 35 -21.556 -20.825 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -19.521 -23.073 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.253 -23.192 -7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.731 -22.889 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.196 -22.108 -10.527 1.00 0.00 H new ATOM 644 N MET A 36 -19.374 -19.893 -6.395 1.00 0.00 N ATOM 645 CA MET A 36 -18.881 -19.592 -5.057 1.00 0.00 C ATOM 646 C MET A 36 -19.073 -18.115 -4.735 1.00 0.00 C ATOM 647 O MET A 36 -19.802 -17.407 -5.432 1.00 0.00 O ATOM 648 CB MET A 36 -17.402 -19.967 -4.935 1.00 0.00 C ATOM 649 CG MET A 36 -17.065 -21.320 -5.537 1.00 0.00 C ATOM 650 SD MET A 36 -15.673 -22.120 -4.714 1.00 0.00 S ATOM 651 CE MET A 36 -14.355 -21.800 -5.883 1.00 0.00 C ATOM 0 H MET A 36 -19.137 -19.193 -7.098 1.00 0.00 H new ATOM 0 HA MET A 36 -19.454 -20.183 -4.342 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.800 -19.201 -5.424 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.122 -19.968 -3.882 1.00 0.00 H new ATOM 0 HG2 MET A 36 -17.939 -21.968 -5.476 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.834 -21.195 -6.595 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.418 -21.658 -5.345 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.258 -22.646 -6.563 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.585 -20.900 -6.454 1.00 0.00 H new ATOM 661 N SER A 37 -18.415 -17.652 -3.678 1.00 0.00 N ATOM 662 CA SER A 37 -18.515 -16.258 -3.270 1.00 0.00 C ATOM 663 C SER A 37 -17.133 -15.670 -3.002 1.00 0.00 C ATOM 664 O SER A 37 -16.150 -16.400 -2.887 1.00 0.00 O ATOM 665 CB SER A 37 -19.386 -16.131 -2.017 1.00 0.00 C ATOM 666 OG SER A 37 -18.883 -16.936 -0.964 1.00 0.00 O ATOM 0 H SER A 37 -17.807 -18.222 -3.089 1.00 0.00 H new ATOM 0 HA SER A 37 -18.978 -15.700 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.421 -15.089 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.409 -16.428 -2.249 1.00 0.00 H new ATOM 0 HG SER A 37 -19.455 -16.837 -0.174 1.00 0.00 H new ATOM 672 N ASN A 38 -17.070 -14.346 -2.898 1.00 0.00 N ATOM 673 CA ASN A 38 -15.811 -13.657 -2.637 1.00 0.00 C ATOM 674 C ASN A 38 -15.166 -14.162 -1.350 1.00 0.00 C ATOM 675 O ASN A 38 -13.965 -13.995 -1.140 1.00 0.00 O ATOM 676 CB ASN A 38 -16.045 -12.150 -2.540 1.00 0.00 C ATOM 677 CG ASN A 38 -16.701 -11.585 -3.784 1.00 0.00 C ATOM 678 OD1 ASN A 38 -16.024 -11.207 -4.740 1.00 0.00 O ATOM 679 ND2 ASN A 38 -18.027 -11.520 -3.777 1.00 0.00 N ATOM 0 H ASN A 38 -17.877 -13.729 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.135 -13.865 -3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.672 -11.938 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.092 -11.647 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.524 -11.146 -4.585 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -18.549 -11.845 -2.963 1.00 0.00 H new ATOM 686 N LEU A 39 -15.969 -14.780 -0.492 1.00 0.00 N ATOM 687 CA LEU A 39 -15.473 -15.309 0.772 1.00 0.00 C ATOM 688 C LEU A 39 -14.570 -16.514 0.537 1.00 0.00 C ATOM 689 O LEU A 39 -13.544 -16.673 1.199 1.00 0.00 O ATOM 690 CB LEU A 39 -16.639 -15.696 1.682 1.00 0.00 C ATOM 691 CG LEU A 39 -17.142 -14.580 2.600 1.00 0.00 C ATOM 692 CD1 LEU A 39 -17.555 -13.363 1.785 1.00 0.00 C ATOM 693 CD2 LEU A 39 -18.305 -15.072 3.450 1.00 0.00 C ATOM 0 H LEU A 39 -16.966 -14.927 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.888 -14.529 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.468 -16.036 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.334 -16.542 2.298 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.328 -14.289 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.910 -12.580 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.698 -12.996 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.353 -13.640 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -18.650 -14.265 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -19.121 -15.391 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.978 -15.913 4.062 1.00 0.00 H new ATOM 705 N ASP A 40 -14.956 -17.359 -0.414 1.00 0.00 N ATOM 706 CA ASP A 40 -14.179 -18.548 -0.739 1.00 0.00 C ATOM 707 C ASP A 40 -12.803 -18.166 -1.273 1.00 0.00 C ATOM 708 O ASP A 40 -11.781 -18.672 -0.807 1.00 0.00 O ATOM 709 CB ASP A 40 -14.920 -19.403 -1.769 1.00 0.00 C ATOM 710 CG ASP A 40 -15.852 -20.408 -1.123 1.00 0.00 C ATOM 711 OD1 ASP A 40 -16.695 -19.993 -0.299 1.00 0.00 O ATOM 712 OD2 ASP A 40 -15.740 -21.611 -1.439 1.00 0.00 O ATOM 0 H ASP A 40 -15.802 -17.242 -0.972 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.048 -19.128 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.493 -18.754 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.195 -19.930 -2.389 1.00 0.00 H new ATOM 717 N LEU A 41 -12.785 -17.274 -2.258 1.00 0.00 N ATOM 718 CA LEU A 41 -11.537 -16.823 -2.861 1.00 0.00 C ATOM 719 C LEU A 41 -10.684 -16.054 -1.854 1.00 0.00 C ATOM 720 O LEU A 41 -9.455 -16.085 -1.920 1.00 0.00 O ATOM 721 CB LEU A 41 -11.815 -15.951 -4.088 1.00 0.00 C ATOM 722 CG LEU A 41 -13.049 -15.046 -3.990 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.670 -13.595 -4.234 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.118 -15.491 -4.979 1.00 0.00 C ATOM 0 H LEU A 41 -13.622 -16.849 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.982 -17.707 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.942 -15.326 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.931 -16.601 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.455 -15.130 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.559 -12.969 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.941 -13.279 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.237 -13.494 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.986 -14.837 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.721 -15.438 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.414 -16.517 -4.758 1.00 0.00 H new ATOM 736 N THR A 42 -11.339 -15.366 -0.922 1.00 0.00 N ATOM 737 CA THR A 42 -10.630 -14.595 0.096 1.00 0.00 C ATOM 738 C THR A 42 -9.678 -15.489 0.884 1.00 0.00 C ATOM 739 O THR A 42 -8.534 -15.117 1.145 1.00 0.00 O ATOM 740 CB THR A 42 -11.627 -13.920 1.046 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.369 -12.923 0.366 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.974 -13.263 2.243 1.00 0.00 C ATOM 0 H THR A 42 -12.356 -15.326 -0.851 1.00 0.00 H new ATOM 0 HA THR A 42 -10.045 -13.824 -0.406 1.00 0.00 H new ATOM 0 HB THR A 42 -12.270 -14.725 1.402 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.182 -13.320 -0.011 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.740 -12.806 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.433 -14.013 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.279 -12.496 1.903 1.00 0.00 H new ATOM 750 N LYS A 43 -10.154 -16.675 1.251 1.00 0.00 N ATOM 751 CA LYS A 43 -9.336 -17.623 2.001 1.00 0.00 C ATOM 752 C LYS A 43 -8.122 -18.032 1.177 1.00 0.00 C ATOM 753 O LYS A 43 -7.017 -18.175 1.702 1.00 0.00 O ATOM 754 CB LYS A 43 -10.150 -18.869 2.378 1.00 0.00 C ATOM 755 CG LYS A 43 -11.617 -18.590 2.670 1.00 0.00 C ATOM 756 CD LYS A 43 -11.787 -17.451 3.663 1.00 0.00 C ATOM 757 CE LYS A 43 -12.868 -17.760 4.688 1.00 0.00 C ATOM 758 NZ LYS A 43 -12.653 -19.083 5.339 1.00 0.00 N ATOM 0 H LYS A 43 -11.098 -17.002 1.043 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.004 -17.135 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.084 -19.592 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.698 -19.333 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.132 -18.343 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.087 -19.491 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.842 -17.268 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.042 -16.536 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.882 -16.979 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.844 -17.749 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.987 -19.044 6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.182 -19.814 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.639 -19.316 5.326 1.00 0.00 H new ATOM 772 N ILE A 44 -8.341 -18.211 -0.120 1.00 0.00 N ATOM 773 CA ILE A 44 -7.274 -18.597 -1.037 1.00 0.00 C ATOM 774 C ILE A 44 -6.138 -17.582 -1.011 1.00 0.00 C ATOM 775 O ILE A 44 -4.963 -17.947 -0.965 1.00 0.00 O ATOM 776 CB ILE A 44 -7.798 -18.712 -2.484 1.00 0.00 C ATOM 777 CG1 ILE A 44 -8.996 -19.658 -2.553 1.00 0.00 C ATOM 778 CG2 ILE A 44 -6.695 -19.188 -3.418 1.00 0.00 C ATOM 779 CD1 ILE A 44 -9.673 -19.661 -3.905 1.00 0.00 C ATOM 0 H ILE A 44 -9.252 -18.094 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.905 -19.568 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.122 -17.722 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.666 -20.670 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.721 -19.372 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.085 -19.263 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.869 -18.477 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.340 -20.166 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.515 -20.353 -3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.032 -18.658 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.961 -19.975 -4.668 1.00 0.00 H new ATOM 791 N LEU A 45 -6.500 -16.305 -1.051 1.00 0.00 N ATOM 792 CA LEU A 45 -5.518 -15.229 -1.045 1.00 0.00 C ATOM 793 C LEU A 45 -4.871 -15.068 0.328 1.00 0.00 C ATOM 794 O LEU A 45 -3.701 -14.696 0.433 1.00 0.00 O ATOM 795 CB LEU A 45 -6.183 -13.919 -1.472 1.00 0.00 C ATOM 796 CG LEU A 45 -6.607 -13.865 -2.942 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.597 -12.737 -3.177 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.388 -13.705 -3.836 1.00 0.00 C ATOM 0 H LEU A 45 -7.469 -15.990 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.731 -15.486 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.062 -13.754 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.494 -13.097 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.101 -14.804 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.884 -12.718 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.483 -12.896 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.136 -11.786 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.704 -13.668 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.869 -12.781 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.716 -14.551 -3.690 1.00 0.00 H new ATOM 810 N SER A 46 -5.632 -15.362 1.378 1.00 0.00 N ATOM 811 CA SER A 46 -5.122 -15.256 2.741 1.00 0.00 C ATOM 812 C SER A 46 -4.199 -16.422 3.062 1.00 0.00 C ATOM 813 O SER A 46 -3.396 -16.357 3.995 1.00 0.00 O ATOM 814 CB SER A 46 -6.279 -15.210 3.741 1.00 0.00 C ATOM 815 OG SER A 46 -7.019 -16.419 3.721 1.00 0.00 O ATOM 0 H SER A 46 -6.601 -15.674 1.312 1.00 0.00 H new ATOM 0 HA SER A 46 -4.551 -14.331 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.890 -15.035 4.744 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.936 -14.374 3.503 1.00 0.00 H new ATOM 0 HG SER A 46 -6.725 -16.970 2.966 1.00 0.00 H new ATOM 821 N LYS A 47 -4.322 -17.487 2.286 1.00 0.00 N ATOM 822 CA LYS A 47 -3.515 -18.675 2.473 1.00 0.00 C ATOM 823 C LYS A 47 -2.264 -18.625 1.604 1.00 0.00 C ATOM 824 O LYS A 47 -1.158 -18.888 2.073 1.00 0.00 O ATOM 825 CB LYS A 47 -4.352 -19.899 2.120 1.00 0.00 C ATOM 826 CG LYS A 47 -4.095 -21.092 3.019 1.00 0.00 C ATOM 827 CD LYS A 47 -4.479 -20.799 4.462 1.00 0.00 C ATOM 828 CE LYS A 47 -5.828 -21.406 4.813 1.00 0.00 C ATOM 829 NZ LYS A 47 -5.910 -21.780 6.252 1.00 0.00 N ATOM 0 H LYS A 47 -4.983 -17.549 1.512 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.196 -18.731 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.408 -19.634 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.148 -20.182 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.663 -21.950 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.041 -21.364 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.715 -21.196 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.512 -19.721 4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.619 -20.694 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.000 -22.289 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.845 -22.190 6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.171 -22.478 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.771 -20.933 6.839 1.00 0.00 H new ATOM 843 N LYS A 48 -2.450 -18.287 0.331 1.00 0.00 N ATOM 844 CA LYS A 48 -1.342 -18.204 -0.613 1.00 0.00 C ATOM 845 C LYS A 48 -0.262 -17.245 -0.120 1.00 0.00 C ATOM 846 O LYS A 48 0.917 -17.596 -0.076 1.00 0.00 O ATOM 847 CB LYS A 48 -1.850 -17.757 -1.985 1.00 0.00 C ATOM 848 CG LYS A 48 -1.970 -18.892 -2.989 1.00 0.00 C ATOM 849 CD LYS A 48 -3.420 -19.297 -3.203 1.00 0.00 C ATOM 850 CE LYS A 48 -3.680 -19.698 -4.645 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.570 -21.170 -4.841 1.00 0.00 N ATOM 0 H LYS A 48 -3.361 -18.066 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.900 -19.197 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.825 -17.284 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.175 -17.000 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.533 -18.586 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.399 -19.752 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.668 -20.128 -2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.074 -18.468 -2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.675 -19.366 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.968 -19.191 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.754 -21.402 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.612 -21.484 -4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.266 -21.653 -4.238 1.00 0.00 H new ATOM 865 N TYR A 49 -0.667 -16.030 0.242 1.00 0.00 N ATOM 866 CA TYR A 49 0.266 -15.022 0.719 1.00 0.00 C ATOM 867 C TYR A 49 1.179 -15.557 1.820 1.00 0.00 C ATOM 868 O TYR A 49 2.277 -15.040 2.029 1.00 0.00 O ATOM 869 CB TYR A 49 -0.486 -13.804 1.234 1.00 0.00 C ATOM 870 CG TYR A 49 0.437 -12.661 1.541 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.797 -11.763 0.552 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.967 -12.497 2.808 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.661 -10.721 0.819 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.835 -11.460 3.089 1.00 0.00 C ATOM 875 CZ TYR A 49 2.179 -10.573 2.090 1.00 0.00 C ATOM 876 OH TYR A 49 3.043 -9.538 2.361 1.00 0.00 O ATOM 0 H TYR A 49 -1.639 -15.723 0.213 1.00 0.00 H new ATOM 0 HA TYR A 49 0.890 -14.740 -0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.218 -13.489 0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.040 -14.074 2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.396 -11.879 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.698 -13.191 3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.930 -10.025 0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.241 -11.344 4.083 1.00 0.00 H new ATOM 0 HH TYR A 49 3.314 -9.576 3.302 1.00 0.00 H new ATOM 886 N LYS A 50 0.723 -16.579 2.532 1.00 0.00 N ATOM 887 CA LYS A 50 1.505 -17.156 3.610 1.00 0.00 C ATOM 888 C LYS A 50 2.115 -18.489 3.174 1.00 0.00 C ATOM 889 O LYS A 50 3.200 -18.862 3.617 1.00 0.00 O ATOM 890 CB LYS A 50 0.608 -17.324 4.849 1.00 0.00 C ATOM 891 CG LYS A 50 0.866 -18.580 5.673 1.00 0.00 C ATOM 892 CD LYS A 50 1.266 -18.241 7.100 1.00 0.00 C ATOM 893 CE LYS A 50 2.609 -17.532 7.149 1.00 0.00 C ATOM 894 NZ LYS A 50 3.467 -18.041 8.255 1.00 0.00 N ATOM 0 H LYS A 50 -0.183 -17.023 2.381 1.00 0.00 H new ATOM 0 HA LYS A 50 2.330 -16.490 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.738 -16.454 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.433 -17.329 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.031 -19.200 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.654 -19.168 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.503 -17.608 7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.314 -19.155 7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.125 -17.666 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.450 -16.461 7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.374 -17.532 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.986 -17.890 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.641 -19.057 8.120 1.00 0.00 H new ATOM 908 N GLU A 51 1.399 -19.203 2.312 1.00 0.00 N ATOM 909 CA GLU A 51 1.854 -20.498 1.821 1.00 0.00 C ATOM 910 C GLU A 51 3.018 -20.362 0.836 1.00 0.00 C ATOM 911 O GLU A 51 3.735 -21.329 0.584 1.00 0.00 O ATOM 912 CB GLU A 51 0.694 -21.240 1.156 1.00 0.00 C ATOM 913 CG GLU A 51 0.665 -22.725 1.466 1.00 0.00 C ATOM 914 CD GLU A 51 0.456 -23.008 2.941 1.00 0.00 C ATOM 915 OE1 GLU A 51 -0.714 -23.037 3.382 1.00 0.00 O ATOM 916 OE2 GLU A 51 1.462 -23.200 3.658 1.00 0.00 O ATOM 0 H GLU A 51 0.498 -18.905 1.938 1.00 0.00 H new ATOM 0 HA GLU A 51 2.213 -21.067 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.246 -20.792 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.758 -21.104 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.133 -23.197 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.602 -23.179 1.142 1.00 0.00 H new ATOM 923 N LEU A 52 3.207 -19.167 0.281 1.00 0.00 N ATOM 924 CA LEU A 52 4.291 -18.944 -0.672 1.00 0.00 C ATOM 925 C LEU A 52 5.648 -19.070 0.005 1.00 0.00 C ATOM 926 O LEU A 52 5.810 -18.722 1.175 1.00 0.00 O ATOM 927 CB LEU A 52 4.155 -17.579 -1.350 1.00 0.00 C ATOM 928 CG LEU A 52 4.482 -16.372 -0.474 1.00 0.00 C ATOM 929 CD1 LEU A 52 5.750 -15.697 -0.962 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.325 -15.392 -0.481 1.00 0.00 C ATOM 0 H LEU A 52 2.631 -18.347 0.472 1.00 0.00 H new ATOM 0 HA LEU A 52 4.220 -19.714 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.808 -17.560 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.133 -17.475 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 52 4.643 -16.714 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.972 -14.838 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.579 -16.404 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.612 -15.363 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.570 -14.535 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.141 -15.053 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.431 -15.882 -0.094 1.00 0.00 H new ATOM 942 N PRO A 53 6.644 -19.582 -0.734 1.00 0.00 N ATOM 943 CA PRO A 53 8.006 -19.772 -0.223 1.00 0.00 C ATOM 944 C PRO A 53 8.712 -18.465 0.093 1.00 0.00 C ATOM 945 O PRO A 53 9.939 -18.385 0.041 1.00 0.00 O ATOM 946 CB PRO A 53 8.744 -20.455 -1.370 1.00 0.00 C ATOM 947 CG PRO A 53 7.907 -20.261 -2.587 1.00 0.00 C ATOM 948 CD PRO A 53 6.499 -20.022 -2.129 1.00 0.00 C ATOM 0 HA PRO A 53 7.985 -20.338 0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.734 -20.021 -1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.887 -21.515 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.269 -19.415 -3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.957 -21.139 -3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.006 -19.263 -2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.898 -20.928 -2.200 1.00 0.00 H new ATOM 956 N GLU A 54 7.942 -17.436 0.392 1.00 0.00 N ATOM 957 CA GLU A 54 8.495 -16.123 0.683 1.00 0.00 C ATOM 958 C GLU A 54 9.375 -15.652 -0.473 1.00 0.00 C ATOM 959 O GLU A 54 10.150 -14.707 -0.326 1.00 0.00 O ATOM 960 CB GLU A 54 9.307 -16.121 1.994 1.00 0.00 C ATOM 961 CG GLU A 54 9.454 -17.484 2.656 1.00 0.00 C ATOM 962 CD GLU A 54 9.768 -17.383 4.135 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.928 -17.072 4.477 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.851 -17.613 4.954 1.00 0.00 O ATOM 0 H GLU A 54 6.924 -17.483 0.440 1.00 0.00 H new ATOM 0 HA GLU A 54 7.658 -15.436 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.301 -15.723 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.831 -15.440 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.532 -18.050 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.246 -18.042 2.157 1.00 0.00 H new ATOM 971 N LYS A 55 9.256 -16.316 -1.627 1.00 0.00 N ATOM 972 CA LYS A 55 10.054 -15.944 -2.788 1.00 0.00 C ATOM 973 C LYS A 55 9.248 -15.095 -3.774 1.00 0.00 C ATOM 974 O LYS A 55 9.800 -14.554 -4.731 1.00 0.00 O ATOM 975 CB LYS A 55 10.601 -17.196 -3.489 1.00 0.00 C ATOM 976 CG LYS A 55 9.607 -17.873 -4.420 1.00 0.00 C ATOM 977 CD LYS A 55 9.798 -17.430 -5.861 1.00 0.00 C ATOM 978 CE LYS A 55 8.917 -18.226 -6.809 1.00 0.00 C ATOM 979 NZ LYS A 55 9.594 -19.459 -7.296 1.00 0.00 N ATOM 0 H LYS A 55 8.623 -17.102 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 55 10.891 -15.343 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.488 -16.921 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.919 -17.913 -2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.724 -18.955 -4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.591 -17.641 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.565 -16.369 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.843 -17.552 -6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.991 -18.497 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.644 -17.602 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.959 -19.973 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.465 -19.200 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.832 -20.067 -6.487 1.00 0.00 H new ATOM 993 N LYS A 56 7.945 -14.971 -3.531 1.00 0.00 N ATOM 994 CA LYS A 56 7.083 -14.173 -4.404 1.00 0.00 C ATOM 995 C LYS A 56 6.819 -12.819 -3.770 1.00 0.00 C ATOM 996 O LYS A 56 6.817 -11.786 -4.439 1.00 0.00 O ATOM 997 CB LYS A 56 5.762 -14.897 -4.673 1.00 0.00 C ATOM 998 CG LYS A 56 5.937 -16.272 -5.299 1.00 0.00 C ATOM 999 CD LYS A 56 4.939 -17.271 -4.734 1.00 0.00 C ATOM 1000 CE LYS A 56 4.293 -18.098 -5.834 1.00 0.00 C ATOM 1001 NZ LYS A 56 3.499 -19.231 -5.285 1.00 0.00 N ATOM 0 H LYS A 56 7.465 -15.408 -2.744 1.00 0.00 H new ATOM 0 HA LYS A 56 7.592 -14.029 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.217 -15.001 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.148 -14.283 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.810 -16.200 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.951 -16.628 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.444 -17.932 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.168 -16.740 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.646 -17.459 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.066 -18.485 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.075 -19.769 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.121 -19.855 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.745 -18.861 -4.671 1.00 0.00 H new ATOM 1015 N LYS A 57 6.607 -12.850 -2.464 1.00 0.00 N ATOM 1016 CA LYS A 57 6.350 -11.650 -1.683 1.00 0.00 C ATOM 1017 C LYS A 57 7.463 -10.633 -1.896 1.00 0.00 C ATOM 1018 O LYS A 57 7.202 -9.448 -2.107 1.00 0.00 O ATOM 1019 CB LYS A 57 6.253 -12.026 -0.208 1.00 0.00 C ATOM 1020 CG LYS A 57 7.442 -12.837 0.263 1.00 0.00 C ATOM 1021 CD LYS A 57 7.329 -13.245 1.722 1.00 0.00 C ATOM 1022 CE LYS A 57 5.959 -13.814 2.071 1.00 0.00 C ATOM 1023 NZ LYS A 57 5.803 -14.018 3.537 1.00 0.00 N ATOM 0 H LYS A 57 6.608 -13.709 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 57 5.411 -11.201 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.176 -11.118 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.339 -12.596 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.535 -13.731 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.353 -12.255 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.094 -13.988 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.530 -12.379 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.183 -13.138 1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.817 -14.763 1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.859 -14.406 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.528 -14.683 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.913 -13.108 4.028 1.00 0.00 H new ATOM 1037 N MET A 58 8.708 -11.108 -1.859 1.00 0.00 N ATOM 1038 CA MET A 58 9.863 -10.243 -2.066 1.00 0.00 C ATOM 1039 C MET A 58 9.653 -9.375 -3.299 1.00 0.00 C ATOM 1040 O MET A 58 10.154 -8.254 -3.382 1.00 0.00 O ATOM 1041 CB MET A 58 11.129 -11.083 -2.228 1.00 0.00 C ATOM 1042 CG MET A 58 11.850 -11.358 -0.918 1.00 0.00 C ATOM 1043 SD MET A 58 13.460 -12.132 -1.162 1.00 0.00 S ATOM 1044 CE MET A 58 14.198 -11.007 -2.346 1.00 0.00 C ATOM 0 H MET A 58 8.939 -12.086 -1.688 1.00 0.00 H new ATOM 0 HA MET A 58 9.977 -9.598 -1.195 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.867 -12.032 -2.695 1.00 0.00 H new ATOM 0 HB3 MET A 58 11.810 -10.571 -2.907 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.980 -10.422 -0.375 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.231 -12.004 -0.295 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.283 -11.035 -2.247 1.00 0.00 H new ATOM 0 HE2 MET A 58 13.918 -11.307 -3.356 1.00 0.00 H new ATOM 0 HE3 MET A 58 13.842 -9.994 -2.156 1.00 0.00 H new ATOM 1054 N LYS A 59 8.887 -9.905 -4.246 1.00 0.00 N ATOM 1055 CA LYS A 59 8.579 -9.186 -5.470 1.00 0.00 C ATOM 1056 C LYS A 59 7.531 -8.118 -5.186 1.00 0.00 C ATOM 1057 O LYS A 59 7.664 -6.968 -5.598 1.00 0.00 O ATOM 1058 CB LYS A 59 8.087 -10.170 -6.543 1.00 0.00 C ATOM 1059 CG LYS A 59 6.624 -10.007 -6.927 1.00 0.00 C ATOM 1060 CD LYS A 59 6.224 -10.973 -8.035 1.00 0.00 C ATOM 1061 CE LYS A 59 5.682 -10.238 -9.251 1.00 0.00 C ATOM 1062 NZ LYS A 59 6.655 -10.234 -10.378 1.00 0.00 N ATOM 0 H LYS A 59 8.468 -10.833 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 59 9.478 -8.696 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.699 -10.049 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.244 -11.187 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.997 -10.176 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.445 -8.983 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.087 -11.571 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.469 -11.664 -7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.753 -10.708 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.441 -9.211 -8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.247 -9.723 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.532 -9.763 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.866 -11.213 -10.658 1.00 0.00 H new ATOM 1076 N TYR A 60 6.487 -8.521 -4.468 1.00 0.00 N ATOM 1077 CA TYR A 60 5.407 -7.611 -4.107 1.00 0.00 C ATOM 1078 C TYR A 60 5.916 -6.504 -3.196 1.00 0.00 C ATOM 1079 O TYR A 60 5.673 -5.323 -3.445 1.00 0.00 O ATOM 1080 CB TYR A 60 4.280 -8.364 -3.407 1.00 0.00 C ATOM 1081 CG TYR A 60 3.832 -9.605 -4.139 1.00 0.00 C ATOM 1082 CD1 TYR A 60 3.743 -9.626 -5.523 1.00 0.00 C ATOM 1083 CD2 TYR A 60 3.506 -10.759 -3.442 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.342 -10.763 -6.195 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.103 -11.899 -4.103 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.023 -11.899 -5.480 1.00 0.00 C ATOM 1087 OH TYR A 60 2.624 -13.035 -6.143 1.00 0.00 O ATOM 0 H TYR A 60 6.367 -9.474 -4.124 1.00 0.00 H new ATOM 0 HA TYR A 60 5.025 -7.168 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.608 -8.642 -2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.427 -7.695 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.992 -8.738 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.569 -10.764 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.278 -10.763 -7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.851 -12.789 -3.545 1.00 0.00 H new ATOM 0 HH TYR A 60 2.817 -13.821 -5.591 1.00 0.00 H new ATOM 1097 N ILE A 61 6.633 -6.886 -2.139 1.00 0.00 N ATOM 1098 CA ILE A 61 7.171 -5.904 -1.208 1.00 0.00 C ATOM 1099 C ILE A 61 8.034 -4.894 -1.959 1.00 0.00 C ATOM 1100 O ILE A 61 8.122 -3.728 -1.577 1.00 0.00 O ATOM 1101 CB ILE A 61 8.003 -6.554 -0.079 1.00 0.00 C ATOM 1102 CG1 ILE A 61 7.092 -7.302 0.899 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.802 -5.493 0.666 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.654 -8.664 0.413 1.00 0.00 C ATOM 0 H ILE A 61 6.851 -7.856 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 61 6.321 -5.403 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 61 8.693 -7.267 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.613 -7.417 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.208 -6.695 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.383 -5.965 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.476 -4.991 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.120 -4.763 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.012 -9.128 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.103 -8.557 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.531 -9.290 0.248 1.00 0.00 H new ATOM 1116 N GLN A 62 8.651 -5.351 -3.044 1.00 0.00 N ATOM 1117 CA GLN A 62 9.482 -4.488 -3.867 1.00 0.00 C ATOM 1118 C GLN A 62 8.598 -3.541 -4.658 1.00 0.00 C ATOM 1119 O GLN A 62 9.002 -2.431 -4.997 1.00 0.00 O ATOM 1120 CB GLN A 62 10.347 -5.319 -4.815 1.00 0.00 C ATOM 1121 CG GLN A 62 11.618 -5.849 -4.172 1.00 0.00 C ATOM 1122 CD GLN A 62 12.785 -4.890 -4.314 1.00 0.00 C ATOM 1123 OE1 GLN A 62 13.587 -5.003 -5.240 1.00 0.00 O ATOM 1124 NE2 GLN A 62 12.883 -3.941 -3.392 1.00 0.00 N ATOM 0 H GLN A 62 8.589 -6.315 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 62 10.143 -3.911 -3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.760 -6.159 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.613 -4.710 -5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.434 -6.039 -3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.880 -6.805 -4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.194 -3.886 -2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.647 -3.267 -3.433 1.00 0.00 H new ATOM 1133 N ASP A 63 7.373 -3.985 -4.927 1.00 0.00 N ATOM 1134 CA ASP A 63 6.412 -3.175 -5.656 1.00 0.00 C ATOM 1135 C ASP A 63 5.754 -2.178 -4.711 1.00 0.00 C ATOM 1136 O ASP A 63 5.290 -1.117 -5.128 1.00 0.00 O ATOM 1137 CB ASP A 63 5.351 -4.062 -6.312 1.00 0.00 C ATOM 1138 CG ASP A 63 5.587 -4.244 -7.799 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.763 -4.357 -8.204 1.00 0.00 O ATOM 1140 OD2 ASP A 63 4.595 -4.273 -8.559 1.00 0.00 O ATOM 0 H ASP A 63 7.026 -4.903 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 63 6.937 -2.629 -6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.346 -5.038 -5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.366 -3.622 -6.155 1.00 0.00 H new ATOM 1145 N PHE A 64 5.721 -2.537 -3.429 1.00 0.00 N ATOM 1146 CA PHE A 64 5.128 -1.693 -2.405 1.00 0.00 C ATOM 1147 C PHE A 64 6.121 -0.631 -1.928 1.00 0.00 C ATOM 1148 O PHE A 64 5.732 0.487 -1.592 1.00 0.00 O ATOM 1149 CB PHE A 64 4.663 -2.569 -1.229 1.00 0.00 C ATOM 1150 CG PHE A 64 5.041 -2.045 0.129 1.00 0.00 C ATOM 1151 CD1 PHE A 64 6.253 -2.391 0.702 1.00 0.00 C ATOM 1152 CD2 PHE A 64 4.184 -1.211 0.829 1.00 0.00 C ATOM 1153 CE1 PHE A 64 6.606 -1.913 1.950 1.00 0.00 C ATOM 1154 CE2 PHE A 64 4.530 -0.731 2.078 1.00 0.00 C ATOM 1155 CZ PHE A 64 5.743 -1.083 2.639 1.00 0.00 C ATOM 0 H PHE A 64 6.103 -3.415 -3.077 1.00 0.00 H new ATOM 0 HA PHE A 64 4.268 -1.173 -2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.579 -2.671 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.083 -3.568 -1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.930 -3.041 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.235 -0.933 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.555 -2.188 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.854 -0.082 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.016 -0.710 3.615 1.00 0.00 H new ATOM 1165 N GLN A 65 7.399 -0.995 -1.882 1.00 0.00 N ATOM 1166 CA GLN A 65 8.437 -0.081 -1.423 1.00 0.00 C ATOM 1167 C GLN A 65 8.954 0.817 -2.545 1.00 0.00 C ATOM 1168 O GLN A 65 9.337 1.962 -2.305 1.00 0.00 O ATOM 1169 CB GLN A 65 9.591 -0.866 -0.796 1.00 0.00 C ATOM 1170 CG GLN A 65 10.446 -1.626 -1.796 1.00 0.00 C ATOM 1171 CD GLN A 65 11.854 -1.873 -1.287 1.00 0.00 C ATOM 1172 OE1 GLN A 65 12.800 -1.199 -1.691 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.998 -2.846 -0.393 1.00 0.00 N ATOM 0 H GLN A 65 7.740 -1.916 -2.157 1.00 0.00 H new ATOM 0 HA GLN A 65 7.990 0.568 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.227 -0.175 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.184 -1.573 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.972 -2.581 -2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.494 -1.065 -2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.185 -3.380 -0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.921 -3.058 -0.014 1.00 0.00 H new ATOM 1182 N ARG A 66 8.981 0.294 -3.765 1.00 0.00 N ATOM 1183 CA ARG A 66 9.472 1.060 -4.907 1.00 0.00 C ATOM 1184 C ARG A 66 8.517 2.191 -5.289 1.00 0.00 C ATOM 1185 O ARG A 66 8.900 3.116 -6.004 1.00 0.00 O ATOM 1186 CB ARG A 66 9.723 0.142 -6.111 1.00 0.00 C ATOM 1187 CG ARG A 66 8.466 -0.248 -6.882 1.00 0.00 C ATOM 1188 CD ARG A 66 8.687 -0.153 -8.383 1.00 0.00 C ATOM 1189 NE ARG A 66 7.479 -0.479 -9.137 1.00 0.00 N ATOM 1190 CZ ARG A 66 6.483 0.378 -9.348 1.00 0.00 C ATOM 1191 NH1 ARG A 66 6.543 1.610 -8.858 1.00 0.00 N ATOM 1192 NH2 ARG A 66 5.423 0.002 -10.051 1.00 0.00 N ATOM 0 H ARG A 66 8.671 -0.651 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 66 10.417 1.514 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.413 0.639 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.217 -0.765 -5.763 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.176 -1.265 -6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.642 0.404 -6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.012 0.856 -8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.490 -0.830 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 66 7.394 -1.419 -9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.356 1.904 -8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.776 2.262 -9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.371 -0.944 -10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.659 0.659 -10.213 1.00 0.00 H new ATOM 1206 N GLU A 67 7.274 2.120 -4.813 1.00 0.00 N ATOM 1207 CA GLU A 67 6.292 3.145 -5.117 1.00 0.00 C ATOM 1208 C GLU A 67 6.300 4.223 -4.034 1.00 0.00 C ATOM 1209 O GLU A 67 5.990 5.384 -4.298 1.00 0.00 O ATOM 1210 CB GLU A 67 4.904 2.496 -5.269 1.00 0.00 C ATOM 1211 CG GLU A 67 3.780 3.206 -4.532 1.00 0.00 C ATOM 1212 CD GLU A 67 2.495 3.250 -5.337 1.00 0.00 C ATOM 1213 OE1 GLU A 67 1.878 2.181 -5.531 1.00 0.00 O ATOM 1214 OE2 GLU A 67 2.106 4.353 -5.775 1.00 0.00 O ATOM 0 H GLU A 67 6.930 1.365 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 67 6.545 3.631 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.653 2.453 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.959 1.467 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.594 2.700 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.091 4.223 -4.294 1.00 0.00 H new ATOM 1221 N LYS A 68 6.662 3.831 -2.816 1.00 0.00 N ATOM 1222 CA LYS A 68 6.715 4.767 -1.698 1.00 0.00 C ATOM 1223 C LYS A 68 7.889 5.733 -1.842 1.00 0.00 C ATOM 1224 O LYS A 68 7.990 6.714 -1.106 1.00 0.00 O ATOM 1225 CB LYS A 68 6.818 4.007 -0.373 1.00 0.00 C ATOM 1226 CG LYS A 68 5.558 4.087 0.471 1.00 0.00 C ATOM 1227 CD LYS A 68 5.570 3.060 1.594 1.00 0.00 C ATOM 1228 CE LYS A 68 5.593 3.726 2.962 1.00 0.00 C ATOM 1229 NZ LYS A 68 6.961 3.743 3.549 1.00 0.00 N ATOM 0 H LYS A 68 6.922 2.874 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 68 5.794 5.349 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.041 2.960 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.656 4.404 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.465 5.088 0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.685 3.925 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.690 2.422 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.442 2.415 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.223 4.748 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.916 3.198 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.933 4.205 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.305 2.767 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.602 4.269 2.921 1.00 0.00 H new