USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 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=-0.00108 X(o=-1.5,f=-1.5) USER MOD Set 1.2: A 65 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Set 2.1: A 33 HIS : no HE2:sc= -11.1! C(o=-11!,f=-9.5!) USER MOD Set 2.2: A 38 ASN : amide:sc= -0.166 K(o=-11,f=-12) USER MOD Set 3.1: A 29 TYR OH : rot 165:sc= -0.659 USER MOD Set 3.2: A 48 LYS NZ :NH3+ -118:sc= 0.0655 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.906 USER MOD Single : A 18 TYR OH : rot 15:sc= -2.88! USER MOD Single : A 23 MET CE :methyl 144:sc= -0.364 (180deg=-2.49!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 76:sc= 0.939 USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.0722 (180deg=-0.465) USER MOD Single : A 46 SER OG : rot -33:sc= 0.678 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -61:sc= -1.49! USER MOD Single : A 50 LYS NZ :NH3+ -121:sc= -0.0923 (180deg=-1.55) 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+ -143:sc= -0.648 (180deg=-2.6!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -110:sc= 1.17 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 249 N PRO A 14 0.242 3.826 -2.910 1.00 0.00 N ATOM 250 CA PRO A 14 0.097 2.417 -3.277 1.00 0.00 C ATOM 251 C PRO A 14 -0.565 1.594 -2.178 1.00 0.00 C ATOM 252 O PRO A 14 -1.112 2.141 -1.220 1.00 0.00 O ATOM 253 CB PRO A 14 1.541 1.967 -3.473 1.00 0.00 C ATOM 254 CG PRO A 14 2.320 2.806 -2.521 1.00 0.00 C ATOM 255 CD PRO A 14 1.613 4.136 -2.454 1.00 0.00 C ATOM 0 HA PRO A 14 -0.538 2.284 -4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.660 0.905 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.870 2.122 -4.501 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.364 2.339 -1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.348 2.929 -2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.617 4.541 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.091 4.876 -3.096 1.00 0.00 H new ATOM 263 N LEU A 15 -0.506 0.275 -2.323 1.00 0.00 N ATOM 264 CA LEU A 15 -1.089 -0.631 -1.342 1.00 0.00 C ATOM 265 C LEU A 15 -0.053 -1.641 -0.866 1.00 0.00 C ATOM 266 O LEU A 15 1.074 -1.669 -1.364 1.00 0.00 O ATOM 267 CB LEU A 15 -2.294 -1.364 -1.939 1.00 0.00 C ATOM 268 CG LEU A 15 -3.112 -0.557 -2.951 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.930 -1.120 -4.353 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.585 -0.549 -2.567 1.00 0.00 C ATOM 0 H LEU A 15 -0.059 -0.191 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.423 -0.040 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.942 -2.274 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.952 -1.670 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.750 0.471 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.518 -0.534 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.877 -1.072 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.264 -2.157 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.149 0.030 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.961 -1.572 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.702 -0.099 -1.581 1.00 0.00 H new ATOM 282 N THR A 16 -0.434 -2.468 0.099 1.00 0.00 N ATOM 283 CA THR A 16 0.471 -3.478 0.635 1.00 0.00 C ATOM 284 C THR A 16 0.569 -4.672 -0.311 1.00 0.00 C ATOM 285 O THR A 16 -0.362 -4.952 -1.067 1.00 0.00 O ATOM 286 CB THR A 16 -0.002 -3.941 2.014 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.110 -4.815 1.898 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.412 -2.799 2.921 1.00 0.00 C ATOM 0 H THR A 16 -1.360 -2.460 0.526 1.00 0.00 H new ATOM 0 HA THR A 16 1.460 -3.030 0.733 1.00 0.00 H new ATOM 0 HB THR A 16 0.855 -4.447 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.396 -5.101 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.737 -3.197 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.437 -2.132 3.072 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.231 -2.246 2.462 1.00 0.00 H new ATOM 296 N PRO A 17 1.704 -5.395 -0.281 1.00 0.00 N ATOM 297 CA PRO A 17 1.931 -6.563 -1.131 1.00 0.00 C ATOM 298 C PRO A 17 0.689 -7.441 -1.247 1.00 0.00 C ATOM 299 O PRO A 17 0.176 -7.660 -2.344 1.00 0.00 O ATOM 300 CB PRO A 17 3.063 -7.323 -0.422 1.00 0.00 C ATOM 301 CG PRO A 17 3.448 -6.501 0.773 1.00 0.00 C ATOM 302 CD PRO A 17 2.854 -5.135 0.583 1.00 0.00 C ATOM 0 HA PRO A 17 2.177 -6.276 -2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.732 -8.316 -0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.914 -7.460 -1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.076 -6.958 1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.532 -6.440 0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.554 -4.690 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.561 -4.448 0.118 1.00 0.00 H new ATOM 310 N TYR A 18 0.200 -7.925 -0.110 1.00 0.00 N ATOM 311 CA TYR A 18 -0.993 -8.762 -0.091 1.00 0.00 C ATOM 312 C TYR A 18 -2.166 -8.020 -0.728 1.00 0.00 C ATOM 313 O TYR A 18 -2.904 -8.587 -1.529 1.00 0.00 O ATOM 314 CB TYR A 18 -1.337 -9.167 1.346 1.00 0.00 C ATOM 315 CG TYR A 18 -2.324 -10.316 1.450 1.00 0.00 C ATOM 316 CD1 TYR A 18 -3.551 -10.273 0.798 1.00 0.00 C ATOM 317 CD2 TYR A 18 -2.028 -11.444 2.207 1.00 0.00 C ATOM 318 CE1 TYR A 18 -4.449 -11.316 0.896 1.00 0.00 C ATOM 319 CE2 TYR A 18 -2.923 -12.492 2.310 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.133 -12.421 1.652 1.00 0.00 C ATOM 321 OH TYR A 18 -5.030 -13.459 1.751 1.00 0.00 O ATOM 0 H TYR A 18 0.610 -7.752 0.808 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.795 -9.666 -0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.418 -9.444 1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.748 -8.302 1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.806 -9.408 0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.082 -11.502 2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.397 -11.265 0.381 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.676 -13.361 2.902 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.714 -13.368 1.055 1.00 0.00 H new ATOM 331 N PHE A 19 -2.326 -6.747 -0.371 1.00 0.00 N ATOM 332 CA PHE A 19 -3.409 -5.933 -0.918 1.00 0.00 C ATOM 333 C PHE A 19 -3.370 -5.936 -2.443 1.00 0.00 C ATOM 334 O PHE A 19 -4.259 -6.485 -3.094 1.00 0.00 O ATOM 335 CB PHE A 19 -3.317 -4.497 -0.389 1.00 0.00 C ATOM 336 CG PHE A 19 -4.411 -4.141 0.581 1.00 0.00 C ATOM 337 CD1 PHE A 19 -4.923 -5.091 1.453 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.925 -2.855 0.621 1.00 0.00 C ATOM 339 CE1 PHE A 19 -5.925 -4.763 2.346 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.928 -2.522 1.512 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.429 -3.476 2.376 1.00 0.00 C ATOM 0 H PHE A 19 -1.723 -6.259 0.291 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.357 -6.366 -0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.352 -4.359 0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.350 -3.806 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.534 -6.098 1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.538 -2.104 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.314 -5.512 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.320 -1.516 1.533 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.212 -3.217 3.073 1.00 0.00 H new ATOM 351 N ARG A 20 -2.327 -5.335 -3.012 1.00 0.00 N ATOM 352 CA ARG A 20 -2.173 -5.290 -4.463 1.00 0.00 C ATOM 353 C ARG A 20 -2.236 -6.699 -5.050 1.00 0.00 C ATOM 354 O ARG A 20 -2.565 -6.882 -6.219 1.00 0.00 O ATOM 355 CB ARG A 20 -0.844 -4.631 -4.843 1.00 0.00 C ATOM 356 CG ARG A 20 0.360 -5.224 -4.127 1.00 0.00 C ATOM 357 CD ARG A 20 1.445 -4.183 -3.909 1.00 0.00 C ATOM 358 NE ARG A 20 1.991 -3.690 -5.171 1.00 0.00 N ATOM 359 CZ ARG A 20 2.888 -4.348 -5.901 1.00 0.00 C ATOM 360 NH1 ARG A 20 3.337 -5.533 -5.502 1.00 0.00 N ATOM 361 NH2 ARG A 20 3.335 -3.825 -7.035 1.00 0.00 N ATOM 0 H ARG A 20 -1.580 -4.875 -2.493 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.991 -4.697 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.697 -4.724 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.900 -3.566 -4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.048 -5.633 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.761 -6.052 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.037 -3.348 -3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.247 -4.615 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 20 1.665 -2.786 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.994 -5.942 -4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.025 -6.034 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.991 -2.917 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.023 -4.330 -7.594 1.00 0.00 H new ATOM 375 N PHE A 21 -1.923 -7.686 -4.217 1.00 0.00 N ATOM 376 CA PHE A 21 -1.942 -9.083 -4.619 1.00 0.00 C ATOM 377 C PHE A 21 -3.369 -9.622 -4.593 1.00 0.00 C ATOM 378 O PHE A 21 -3.765 -10.428 -5.440 1.00 0.00 O ATOM 379 CB PHE A 21 -1.059 -9.883 -3.658 1.00 0.00 C ATOM 380 CG PHE A 21 -0.859 -11.321 -4.036 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.911 -12.220 -3.996 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.392 -11.771 -4.414 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.714 -13.547 -4.332 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.597 -13.094 -4.748 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.457 -13.985 -4.709 1.00 0.00 C ATOM 0 H PHE A 21 -1.650 -7.538 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.561 -9.177 -5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.084 -9.400 -3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.500 -9.842 -2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.893 -11.882 -3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.220 -11.078 -4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.541 -14.241 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.580 -13.432 -5.039 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.301 -15.021 -4.972 1.00 0.00 H new ATOM 395 N PHE A 22 -4.132 -9.158 -3.612 1.00 0.00 N ATOM 396 CA PHE A 22 -5.514 -9.573 -3.445 1.00 0.00 C ATOM 397 C PHE A 22 -6.419 -8.791 -4.384 1.00 0.00 C ATOM 398 O PHE A 22 -7.160 -9.365 -5.179 1.00 0.00 O ATOM 399 CB PHE A 22 -5.936 -9.356 -1.986 1.00 0.00 C ATOM 400 CG PHE A 22 -7.383 -9.645 -1.701 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.375 -8.767 -2.107 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.748 -10.791 -1.013 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.705 -9.029 -1.834 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.074 -11.057 -0.736 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.055 -10.175 -1.147 1.00 0.00 C ATOM 0 H PHE A 22 -3.810 -8.487 -2.914 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.605 -10.631 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.320 -9.988 -1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.725 -8.323 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.107 -7.868 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.986 -11.485 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.469 -8.338 -2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.344 -11.954 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.093 -10.381 -0.932 1.00 0.00 H new ATOM 415 N MET A 23 -6.340 -7.474 -4.283 1.00 0.00 N ATOM 416 CA MET A 23 -7.137 -6.584 -5.114 1.00 0.00 C ATOM 417 C MET A 23 -6.936 -6.873 -6.602 1.00 0.00 C ATOM 418 O MET A 23 -7.863 -6.735 -7.398 1.00 0.00 O ATOM 419 CB MET A 23 -6.764 -5.138 -4.806 1.00 0.00 C ATOM 420 CG MET A 23 -7.747 -4.439 -3.882 1.00 0.00 C ATOM 421 SD MET A 23 -9.212 -3.841 -4.746 1.00 0.00 S ATOM 422 CE MET A 23 -10.361 -5.179 -4.427 1.00 0.00 C ATOM 0 H MET A 23 -5.725 -6.993 -3.626 1.00 0.00 H new ATOM 0 HA MET A 23 -8.190 -6.752 -4.886 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.773 -5.116 -4.352 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.699 -4.582 -5.741 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.051 -5.128 -3.094 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.249 -3.600 -3.397 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.364 -4.773 -4.292 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.359 -5.869 -5.271 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.060 -5.709 -3.524 1.00 0.00 H new ATOM 432 N GLU A 24 -5.721 -7.266 -6.975 1.00 0.00 N ATOM 433 CA GLU A 24 -5.417 -7.562 -8.373 1.00 0.00 C ATOM 434 C GLU A 24 -6.046 -8.886 -8.801 1.00 0.00 C ATOM 435 O GLU A 24 -6.680 -8.969 -9.851 1.00 0.00 O ATOM 436 CB GLU A 24 -3.903 -7.597 -8.609 1.00 0.00 C ATOM 437 CG GLU A 24 -3.209 -8.819 -8.026 1.00 0.00 C ATOM 438 CD GLU A 24 -1.721 -8.834 -8.312 1.00 0.00 C ATOM 439 OE1 GLU A 24 -0.962 -8.195 -7.553 1.00 0.00 O ATOM 440 OE2 GLU A 24 -1.312 -9.486 -9.295 1.00 0.00 O ATOM 0 H GLU A 24 -4.936 -7.386 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.844 -6.764 -8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.713 -7.562 -9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.458 -6.700 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.369 -8.843 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.663 -9.721 -8.436 1.00 0.00 H new ATOM 447 N LYS A 25 -5.871 -9.917 -7.981 1.00 0.00 N ATOM 448 CA LYS A 25 -6.428 -11.230 -8.283 1.00 0.00 C ATOM 449 C LYS A 25 -7.940 -11.239 -8.081 1.00 0.00 C ATOM 450 O LYS A 25 -8.646 -12.086 -8.628 1.00 0.00 O ATOM 451 CB LYS A 25 -5.775 -12.298 -7.410 1.00 0.00 C ATOM 452 CG LYS A 25 -4.490 -12.854 -7.995 1.00 0.00 C ATOM 453 CD LYS A 25 -3.454 -13.124 -6.915 1.00 0.00 C ATOM 454 CE LYS A 25 -2.365 -14.060 -7.412 1.00 0.00 C ATOM 455 NZ LYS A 25 -1.238 -13.318 -8.039 1.00 0.00 N ATOM 0 H LYS A 25 -5.350 -9.869 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.220 -11.454 -9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.565 -11.875 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.481 -13.115 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.704 -13.777 -8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.085 -12.149 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.008 -12.183 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.941 -13.561 -6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.989 -14.654 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.788 -14.757 -8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.517 -13.993 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.591 -12.771 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.817 -12.671 -7.342 1.00 0.00 H new ATOM 469 N ARG A 26 -8.431 -10.285 -7.295 1.00 0.00 N ATOM 470 CA ARG A 26 -9.852 -10.162 -7.014 1.00 0.00 C ATOM 471 C ARG A 26 -10.664 -10.241 -8.298 1.00 0.00 C ATOM 472 O ARG A 26 -11.709 -10.890 -8.350 1.00 0.00 O ATOM 473 CB ARG A 26 -10.120 -8.840 -6.296 1.00 0.00 C ATOM 474 CG ARG A 26 -10.160 -8.977 -4.786 1.00 0.00 C ATOM 475 CD ARG A 26 -11.196 -9.997 -4.369 1.00 0.00 C ATOM 476 NE ARG A 26 -10.607 -11.176 -3.744 1.00 0.00 N ATOM 477 CZ ARG A 26 -11.302 -12.045 -3.017 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.594 -11.844 -2.782 1.00 0.00 N ATOM 479 NH2 ARG A 26 -10.709 -13.117 -2.518 1.00 0.00 N ATOM 0 H ARG A 26 -7.854 -9.579 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.156 -10.988 -6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.346 -8.123 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.069 -8.432 -6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.179 -9.276 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.390 -8.012 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.896 -9.534 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.771 -10.303 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.609 -11.342 -3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.059 -11.019 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.121 -12.515 -2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.717 -13.278 -2.691 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.244 -13.783 -1.960 1.00 0.00 H new ATOM 493 N ALA A 27 -10.162 -9.590 -9.339 1.00 0.00 N ATOM 494 CA ALA A 27 -10.824 -9.600 -10.634 1.00 0.00 C ATOM 495 C ALA A 27 -10.759 -10.991 -11.239 1.00 0.00 C ATOM 496 O ALA A 27 -11.698 -11.447 -11.893 1.00 0.00 O ATOM 497 CB ALA A 27 -10.165 -8.598 -11.562 1.00 0.00 C ATOM 0 H ALA A 27 -9.298 -9.048 -9.311 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.869 -9.321 -10.499 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.667 -8.613 -12.529 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.238 -7.600 -11.130 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.115 -8.860 -11.694 1.00 0.00 H new ATOM 503 N LYS A 28 -9.637 -11.658 -11.007 1.00 0.00 N ATOM 504 CA LYS A 28 -9.424 -13.006 -11.522 1.00 0.00 C ATOM 505 C LYS A 28 -10.102 -14.055 -10.638 1.00 0.00 C ATOM 506 O LYS A 28 -10.115 -15.240 -10.972 1.00 0.00 O ATOM 507 CB LYS A 28 -7.926 -13.298 -11.619 1.00 0.00 C ATOM 508 CG LYS A 28 -7.455 -13.605 -13.031 1.00 0.00 C ATOM 509 CD LYS A 28 -8.151 -14.832 -13.596 1.00 0.00 C ATOM 510 CE LYS A 28 -7.590 -16.115 -13.002 1.00 0.00 C ATOM 511 NZ LYS A 28 -7.432 -17.179 -14.032 1.00 0.00 N ATOM 0 H LYS A 28 -8.857 -11.287 -10.464 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.871 -13.061 -12.515 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.372 -12.440 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.687 -14.143 -10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.648 -12.747 -13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.377 -13.766 -13.029 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.220 -14.772 -13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.035 -14.851 -14.680 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.624 -15.910 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.252 -16.469 -12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.047 -18.037 -13.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.358 -17.393 -14.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.780 -16.851 -14.773 1.00 0.00 H new ATOM 525 N TYR A 29 -10.663 -13.618 -9.513 1.00 0.00 N ATOM 526 CA TYR A 29 -11.339 -14.526 -8.596 1.00 0.00 C ATOM 527 C TYR A 29 -12.845 -14.454 -8.781 1.00 0.00 C ATOM 528 O TYR A 29 -13.542 -15.456 -8.645 1.00 0.00 O ATOM 529 CB TYR A 29 -10.969 -14.208 -7.149 1.00 0.00 C ATOM 530 CG TYR A 29 -9.754 -14.958 -6.667 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.821 -16.315 -6.384 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.540 -14.311 -6.502 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.708 -17.006 -5.947 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.425 -14.994 -6.066 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.512 -16.342 -5.789 1.00 0.00 C ATOM 536 OH TYR A 29 -6.400 -17.025 -5.355 1.00 0.00 O ATOM 0 H TYR A 29 -10.662 -12.642 -9.217 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.010 -15.540 -8.823 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.788 -13.137 -7.054 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.815 -14.447 -6.504 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.758 -16.838 -6.507 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.466 -13.255 -6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.775 -18.062 -5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.486 -14.475 -5.942 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.599 -16.486 -5.523 1.00 0.00 H new ATOM 546 N ALA A 30 -13.338 -13.272 -9.130 1.00 0.00 N ATOM 547 CA ALA A 30 -14.762 -13.083 -9.368 1.00 0.00 C ATOM 548 C ALA A 30 -15.215 -14.037 -10.455 1.00 0.00 C ATOM 549 O ALA A 30 -16.376 -14.437 -10.523 1.00 0.00 O ATOM 550 CB ALA A 30 -15.058 -11.643 -9.753 1.00 0.00 C ATOM 0 H ALA A 30 -12.773 -12.432 -9.254 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.312 -13.297 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.128 -11.525 -9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.746 -10.979 -8.947 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.513 -11.390 -10.663 1.00 0.00 H new ATOM 556 N LYS A 31 -14.255 -14.410 -11.287 1.00 0.00 N ATOM 557 CA LYS A 31 -14.485 -15.340 -12.372 1.00 0.00 C ATOM 558 C LYS A 31 -14.265 -16.767 -11.878 1.00 0.00 C ATOM 559 O LYS A 31 -14.807 -17.726 -12.429 1.00 0.00 O ATOM 560 CB LYS A 31 -13.520 -15.011 -13.505 1.00 0.00 C ATOM 561 CG LYS A 31 -14.212 -14.530 -14.768 1.00 0.00 C ATOM 562 CD LYS A 31 -13.860 -13.084 -15.084 1.00 0.00 C ATOM 563 CE LYS A 31 -15.096 -12.275 -15.447 1.00 0.00 C ATOM 564 NZ LYS A 31 -15.032 -10.891 -14.902 1.00 0.00 N ATOM 0 H LYS A 31 -13.294 -14.073 -11.225 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.510 -15.256 -12.733 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.823 -14.244 -13.167 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.930 -15.897 -13.738 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.925 -15.166 -15.605 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.292 -14.625 -14.651 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.368 -12.632 -14.223 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.149 -13.054 -15.910 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.198 -12.234 -16.531 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.984 -12.776 -15.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.892 -10.372 -15.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.960 -10.929 -13.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.199 -10.404 -15.289 1.00 0.00 H new ATOM 578 N LEU A 32 -13.454 -16.882 -10.833 1.00 0.00 N ATOM 579 CA LEU A 32 -13.122 -18.163 -10.229 1.00 0.00 C ATOM 580 C LEU A 32 -14.324 -18.792 -9.530 1.00 0.00 C ATOM 581 O LEU A 32 -14.452 -20.015 -9.490 1.00 0.00 O ATOM 582 CB LEU A 32 -11.980 -17.981 -9.222 1.00 0.00 C ATOM 583 CG LEU A 32 -11.607 -19.228 -8.414 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.512 -20.446 -9.319 1.00 0.00 C ATOM 585 CD2 LEU A 32 -10.296 -19.010 -7.673 1.00 0.00 C ATOM 0 H LEU A 32 -13.007 -16.085 -10.380 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.812 -18.835 -11.029 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.095 -17.640 -9.760 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.255 -17.188 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.393 -19.408 -7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.246 -21.321 -8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.474 -20.615 -9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.748 -20.277 -10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.046 -19.906 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.502 -18.803 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.399 -18.165 -6.992 1.00 0.00 H new ATOM 597 N HIS A 33 -15.194 -17.963 -8.965 1.00 0.00 N ATOM 598 CA HIS A 33 -16.365 -18.481 -8.260 1.00 0.00 C ATOM 599 C HIS A 33 -17.652 -18.262 -9.048 1.00 0.00 C ATOM 600 O HIS A 33 -18.353 -17.270 -8.853 1.00 0.00 O ATOM 601 CB HIS A 33 -16.492 -17.847 -6.871 1.00 0.00 C ATOM 602 CG HIS A 33 -16.739 -16.375 -6.895 1.00 0.00 C ATOM 603 ND1 HIS A 33 -17.989 -15.820 -6.732 1.00 0.00 N ATOM 604 CD2 HIS A 33 -15.885 -15.341 -7.045 1.00 0.00 C ATOM 605 CE1 HIS A 33 -17.893 -14.504 -6.777 1.00 0.00 C ATOM 606 NE2 HIS A 33 -16.626 -14.185 -6.965 1.00 0.00 N ATOM 0 H HIS A 33 -15.116 -16.946 -8.979 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.217 -19.555 -8.151 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -17.307 -18.333 -6.334 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -15.579 -18.043 -6.309 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -18.854 -16.344 -6.598 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -14.818 -15.409 -7.199 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -18.712 -13.807 -6.677 1.00 0.00 H new ATOM 615 N PRO A 34 -17.995 -19.206 -9.941 1.00 0.00 N ATOM 616 CA PRO A 34 -19.216 -19.123 -10.739 1.00 0.00 C ATOM 617 C PRO A 34 -20.453 -19.448 -9.907 1.00 0.00 C ATOM 618 O PRO A 34 -21.570 -19.072 -10.262 1.00 0.00 O ATOM 619 CB PRO A 34 -19.002 -20.184 -11.818 1.00 0.00 C ATOM 620 CG PRO A 34 -18.121 -21.197 -11.174 1.00 0.00 C ATOM 621 CD PRO A 34 -17.229 -20.436 -10.227 1.00 0.00 C ATOM 0 HA PRO A 34 -19.387 -18.123 -11.139 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.947 -20.624 -12.135 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -18.535 -19.759 -12.706 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.710 -21.942 -10.640 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.532 -21.731 -11.920 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.030 -21.005 -9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.263 -20.211 -10.680 1.00 0.00 H new ATOM 629 N GLU A 35 -20.241 -20.150 -8.793 1.00 0.00 N ATOM 630 CA GLU A 35 -21.334 -20.526 -7.906 1.00 0.00 C ATOM 631 C GLU A 35 -20.892 -20.516 -6.445 1.00 0.00 C ATOM 632 O GLU A 35 -21.438 -21.242 -5.616 1.00 0.00 O ATOM 633 CB GLU A 35 -21.869 -21.907 -8.283 1.00 0.00 C ATOM 634 CG GLU A 35 -23.332 -21.885 -8.673 1.00 0.00 C ATOM 635 CD GLU A 35 -23.756 -23.129 -9.429 1.00 0.00 C ATOM 636 OE1 GLU A 35 -23.360 -24.238 -9.017 1.00 0.00 O ATOM 637 OE2 GLU A 35 -24.484 -22.993 -10.436 1.00 0.00 O ATOM 0 H GLU A 35 -19.321 -20.468 -8.487 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.129 -19.789 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.283 -22.304 -9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.733 -22.586 -7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -23.942 -21.786 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -23.526 -21.007 -9.289 1.00 0.00 H new ATOM 644 N MET A 36 -19.907 -19.681 -6.140 1.00 0.00 N ATOM 645 CA MET A 36 -19.397 -19.564 -4.776 1.00 0.00 C ATOM 646 C MET A 36 -19.496 -18.120 -4.297 1.00 0.00 C ATOM 647 O MET A 36 -20.168 -17.296 -4.915 1.00 0.00 O ATOM 648 CB MET A 36 -17.940 -20.044 -4.684 1.00 0.00 C ATOM 649 CG MET A 36 -17.535 -21.006 -5.790 1.00 0.00 C ATOM 650 SD MET A 36 -16.365 -22.260 -5.227 1.00 0.00 S ATOM 651 CE MET A 36 -14.813 -21.388 -5.421 1.00 0.00 C ATOM 0 H MET A 36 -19.444 -19.074 -6.817 1.00 0.00 H new ATOM 0 HA MET A 36 -20.009 -20.199 -4.135 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.280 -19.177 -4.711 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.788 -20.530 -3.720 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.425 -21.496 -6.184 1.00 0.00 H new ATOM 0 HG3 MET A 36 -17.091 -20.443 -6.611 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.991 -22.034 -5.113 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.681 -21.108 -6.466 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.820 -20.490 -4.803 1.00 0.00 H new ATOM 661 N SER A 37 -18.823 -17.819 -3.192 1.00 0.00 N ATOM 662 CA SER A 37 -18.839 -16.474 -2.637 1.00 0.00 C ATOM 663 C SER A 37 -17.428 -15.907 -2.545 1.00 0.00 C ATOM 664 O SER A 37 -16.448 -16.652 -2.505 1.00 0.00 O ATOM 665 CB SER A 37 -19.489 -16.480 -1.251 1.00 0.00 C ATOM 666 OG SER A 37 -20.794 -17.028 -1.304 1.00 0.00 O ATOM 0 H SER A 37 -18.261 -18.488 -2.665 1.00 0.00 H new ATOM 0 HA SER A 37 -19.424 -15.840 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.876 -17.059 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.534 -15.463 -0.862 1.00 0.00 H new ATOM 0 HG SER A 37 -21.188 -17.023 -0.407 1.00 0.00 H new ATOM 672 N ASN A 38 -17.333 -14.581 -2.507 1.00 0.00 N ATOM 673 CA ASN A 38 -16.043 -13.904 -2.414 1.00 0.00 C ATOM 674 C ASN A 38 -15.260 -14.374 -1.192 1.00 0.00 C ATOM 675 O ASN A 38 -14.047 -14.190 -1.115 1.00 0.00 O ATOM 676 CB ASN A 38 -16.251 -12.393 -2.337 1.00 0.00 C ATOM 677 CG ASN A 38 -17.033 -11.854 -3.521 1.00 0.00 C ATOM 678 OD1 ASN A 38 -17.321 -12.581 -4.471 1.00 0.00 O ATOM 679 ND2 ASN A 38 -17.381 -10.574 -3.466 1.00 0.00 N ATOM 0 H ASN A 38 -18.136 -13.953 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.469 -14.151 -3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.779 -12.148 -1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.281 -11.898 -2.290 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -17.909 -10.156 -4.232 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.120 -10.009 -2.658 1.00 0.00 H new ATOM 686 N LEU A 39 -15.956 -14.981 -0.240 1.00 0.00 N ATOM 687 CA LEU A 39 -15.316 -15.475 0.972 1.00 0.00 C ATOM 688 C LEU A 39 -14.499 -16.726 0.673 1.00 0.00 C ATOM 689 O LEU A 39 -13.389 -16.891 1.180 1.00 0.00 O ATOM 690 CB LEU A 39 -16.360 -15.772 2.048 1.00 0.00 C ATOM 691 CG LEU A 39 -16.093 -15.118 3.406 1.00 0.00 C ATOM 692 CD1 LEU A 39 -14.718 -15.507 3.924 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.218 -13.607 3.302 1.00 0.00 C ATOM 0 H LEU A 39 -16.962 -15.143 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.645 -14.701 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.335 -15.442 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.420 -16.851 2.187 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.840 -15.477 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.546 -15.033 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.665 -16.590 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.956 -15.178 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.025 -13.158 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.494 -13.231 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.225 -13.347 2.976 1.00 0.00 H new ATOM 705 N ASP A 40 -15.049 -17.602 -0.163 1.00 0.00 N ATOM 706 CA ASP A 40 -14.365 -18.833 -0.539 1.00 0.00 C ATOM 707 C ASP A 40 -13.026 -18.517 -1.190 1.00 0.00 C ATOM 708 O ASP A 40 -12.007 -19.135 -0.880 1.00 0.00 O ATOM 709 CB ASP A 40 -15.233 -19.654 -1.495 1.00 0.00 C ATOM 710 CG ASP A 40 -16.152 -20.614 -0.765 1.00 0.00 C ATOM 711 OD1 ASP A 40 -17.165 -20.153 -0.202 1.00 0.00 O ATOM 712 OD2 ASP A 40 -15.856 -21.828 -0.756 1.00 0.00 O ATOM 0 H ASP A 40 -15.966 -17.481 -0.592 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.187 -19.418 0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.831 -18.979 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.590 -20.216 -2.173 1.00 0.00 H new ATOM 717 N LEU A 41 -13.036 -17.541 -2.091 1.00 0.00 N ATOM 718 CA LEU A 41 -11.823 -17.130 -2.785 1.00 0.00 C ATOM 719 C LEU A 41 -10.895 -16.360 -1.851 1.00 0.00 C ATOM 720 O LEU A 41 -9.676 -16.370 -2.028 1.00 0.00 O ATOM 721 CB LEU A 41 -12.161 -16.286 -4.020 1.00 0.00 C ATOM 722 CG LEU A 41 -13.426 -15.434 -3.917 1.00 0.00 C ATOM 723 CD1 LEU A 41 -13.211 -14.069 -4.550 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.588 -16.149 -4.584 1.00 0.00 C ATOM 0 H LEU A 41 -13.871 -17.020 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.305 -18.030 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.318 -15.627 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.264 -16.953 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.659 -15.285 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.124 -13.480 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.398 -13.554 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.956 -14.192 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.486 -15.536 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.355 -16.320 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.758 -17.106 -4.090 1.00 0.00 H new ATOM 736 N THR A 42 -11.472 -15.703 -0.849 1.00 0.00 N ATOM 737 CA THR A 42 -10.684 -14.944 0.115 1.00 0.00 C ATOM 738 C THR A 42 -9.734 -15.869 0.863 1.00 0.00 C ATOM 739 O THR A 42 -8.624 -15.480 1.223 1.00 0.00 O ATOM 740 CB THR A 42 -11.602 -14.209 1.095 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.424 -13.281 0.412 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.859 -13.447 2.168 1.00 0.00 C ATOM 0 H THR A 42 -12.478 -15.681 -0.684 1.00 0.00 H new ATOM 0 HA THR A 42 -10.094 -14.203 -0.423 1.00 0.00 H new ATOM 0 HB THR A 42 -12.191 -14.993 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.141 -13.760 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.575 -12.952 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.250 -14.139 2.750 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.215 -12.700 1.704 1.00 0.00 H new ATOM 750 N LYS A 43 -10.172 -17.106 1.074 1.00 0.00 N ATOM 751 CA LYS A 43 -9.350 -18.097 1.757 1.00 0.00 C ATOM 752 C LYS A 43 -8.220 -18.540 0.839 1.00 0.00 C ATOM 753 O LYS A 43 -7.110 -18.825 1.289 1.00 0.00 O ATOM 754 CB LYS A 43 -10.186 -19.312 2.177 1.00 0.00 C ATOM 755 CG LYS A 43 -11.632 -18.985 2.516 1.00 0.00 C ATOM 756 CD LYS A 43 -11.730 -17.853 3.529 1.00 0.00 C ATOM 757 CE LYS A 43 -12.803 -18.127 4.569 1.00 0.00 C ATOM 758 NZ LYS A 43 -12.481 -19.323 5.398 1.00 0.00 N ATOM 0 H LYS A 43 -11.089 -17.445 0.783 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.937 -17.642 2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.170 -20.046 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.718 -19.779 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.165 -18.707 1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.122 -19.873 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.768 -17.722 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.953 -16.919 3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.913 -17.256 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.761 -18.277 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.931 -19.230 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.836 -20.179 4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.450 -19.396 5.517 1.00 0.00 H new ATOM 772 N ILE A 44 -8.516 -18.582 -0.457 1.00 0.00 N ATOM 773 CA ILE A 44 -7.532 -18.975 -1.458 1.00 0.00 C ATOM 774 C ILE A 44 -6.313 -18.062 -1.410 1.00 0.00 C ATOM 775 O ILE A 44 -5.173 -18.523 -1.481 1.00 0.00 O ATOM 776 CB ILE A 44 -8.123 -18.926 -2.885 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.417 -19.734 -2.971 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.111 -19.445 -3.896 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.069 -19.673 -4.337 1.00 0.00 C ATOM 0 H ILE A 44 -9.433 -18.348 -0.838 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.239 -19.999 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.354 -17.887 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.205 -20.774 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.119 -19.364 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.542 -19.404 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.213 -18.827 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.851 -20.476 -3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.983 -20.267 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.311 -18.638 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.383 -20.070 -5.086 1.00 0.00 H new ATOM 791 N LEU A 45 -6.565 -16.761 -1.309 1.00 0.00 N ATOM 792 CA LEU A 45 -5.494 -15.773 -1.273 1.00 0.00 C ATOM 793 C LEU A 45 -4.801 -15.731 0.084 1.00 0.00 C ATOM 794 O LEU A 45 -3.641 -15.333 0.183 1.00 0.00 O ATOM 795 CB LEU A 45 -6.050 -14.396 -1.628 1.00 0.00 C ATOM 796 CG LEU A 45 -6.486 -14.249 -3.084 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.340 -13.007 -3.268 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.269 -14.211 -3.997 1.00 0.00 C ATOM 0 H LEU A 45 -7.504 -16.366 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.745 -16.065 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.903 -14.184 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.291 -13.644 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.092 -15.114 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.639 -12.923 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.229 -13.080 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.766 -12.125 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.594 -14.106 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.638 -13.364 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.702 -15.136 -3.887 1.00 0.00 H new ATOM 810 N SER A 46 -5.506 -16.151 1.128 1.00 0.00 N ATOM 811 CA SER A 46 -4.935 -16.164 2.470 1.00 0.00 C ATOM 812 C SER A 46 -4.124 -17.433 2.698 1.00 0.00 C ATOM 813 O SER A 46 -3.363 -17.533 3.661 1.00 0.00 O ATOM 814 CB SER A 46 -6.036 -16.042 3.523 1.00 0.00 C ATOM 815 OG SER A 46 -6.724 -17.270 3.686 1.00 0.00 O ATOM 0 H SER A 46 -6.468 -16.485 1.072 1.00 0.00 H new ATOM 0 HA SER A 46 -4.268 -15.307 2.564 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.601 -15.736 4.475 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.740 -15.263 3.229 1.00 0.00 H new ATOM 0 HG SER A 46 -6.762 -17.740 2.827 1.00 0.00 H new ATOM 821 N LYS A 47 -4.288 -18.397 1.801 1.00 0.00 N ATOM 822 CA LYS A 47 -3.575 -19.657 1.891 1.00 0.00 C ATOM 823 C LYS A 47 -2.380 -19.663 0.942 1.00 0.00 C ATOM 824 O LYS A 47 -1.274 -20.048 1.323 1.00 0.00 O ATOM 825 CB LYS A 47 -4.527 -20.805 1.559 1.00 0.00 C ATOM 826 CG LYS A 47 -3.838 -22.153 1.416 1.00 0.00 C ATOM 827 CD LYS A 47 -3.988 -22.713 0.011 1.00 0.00 C ATOM 828 CE LYS A 47 -5.209 -23.611 -0.105 1.00 0.00 C ATOM 829 NZ LYS A 47 -6.415 -22.854 -0.542 1.00 0.00 N ATOM 0 H LYS A 47 -4.914 -18.326 0.999 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.201 -19.785 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.283 -20.875 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.049 -20.574 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.780 -22.048 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.259 -22.856 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.070 -21.892 -0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.094 -23.277 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.005 -24.411 -0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.406 -24.083 0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.226 -23.502 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.625 -22.106 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.237 -22.425 -1.472 1.00 0.00 H new ATOM 843 N LYS A 48 -2.610 -19.230 -0.295 1.00 0.00 N ATOM 844 CA LYS A 48 -1.554 -19.185 -1.299 1.00 0.00 C ATOM 845 C LYS A 48 -0.478 -18.173 -0.918 1.00 0.00 C ATOM 846 O LYS A 48 0.713 -18.479 -0.955 1.00 0.00 O ATOM 847 CB LYS A 48 -2.138 -18.835 -2.667 1.00 0.00 C ATOM 848 CG LYS A 48 -2.926 -19.970 -3.300 1.00 0.00 C ATOM 849 CD LYS A 48 -3.810 -19.469 -4.428 1.00 0.00 C ATOM 850 CE LYS A 48 -3.027 -19.306 -5.720 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.718 -18.402 -6.680 1.00 0.00 N ATOM 0 H LYS A 48 -3.519 -18.906 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.094 -20.172 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.788 -17.966 -2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.327 -18.549 -3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.238 -20.724 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.541 -20.455 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.632 -20.168 -4.585 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.253 -18.514 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.037 -18.909 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.882 -20.283 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.955 -18.929 -7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.591 -18.037 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.092 -17.607 -6.920 1.00 0.00 H new ATOM 865 N TYR A 49 -0.903 -16.965 -0.551 1.00 0.00 N ATOM 866 CA TYR A 49 0.025 -15.913 -0.166 1.00 0.00 C ATOM 867 C TYR A 49 1.064 -16.432 0.823 1.00 0.00 C ATOM 868 O TYR A 49 2.267 -16.325 0.586 1.00 0.00 O ATOM 869 CB TYR A 49 -0.735 -14.737 0.446 1.00 0.00 C ATOM 870 CG TYR A 49 0.111 -13.499 0.605 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.456 -12.728 -0.496 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.571 -13.108 1.853 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.237 -11.597 -0.357 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.353 -11.980 2.003 1.00 0.00 C ATOM 875 CZ TYR A 49 1.685 -11.228 0.896 1.00 0.00 C ATOM 876 OH TYR A 49 2.465 -10.106 1.043 1.00 0.00 O ATOM 0 H TYR A 49 -1.886 -16.694 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 49 0.545 -15.577 -1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.595 -14.503 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.123 -15.032 1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.108 -13.017 -1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.313 -13.695 2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.496 -11.005 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.703 -11.688 2.982 1.00 0.00 H new ATOM 0 HH TYR A 49 3.294 -10.215 0.532 1.00 0.00 H new ATOM 886 N LYS A 50 0.596 -17.002 1.928 1.00 0.00 N ATOM 887 CA LYS A 50 1.497 -17.541 2.938 1.00 0.00 C ATOM 888 C LYS A 50 2.264 -18.727 2.379 1.00 0.00 C ATOM 889 O LYS A 50 3.442 -18.921 2.685 1.00 0.00 O ATOM 890 CB LYS A 50 0.719 -17.958 4.183 1.00 0.00 C ATOM 891 CG LYS A 50 0.041 -16.796 4.882 1.00 0.00 C ATOM 892 CD LYS A 50 0.883 -16.268 6.034 1.00 0.00 C ATOM 893 CE LYS A 50 1.958 -15.301 5.551 1.00 0.00 C ATOM 894 NZ LYS A 50 1.374 -14.078 4.933 1.00 0.00 N ATOM 0 H LYS A 50 -0.395 -17.102 2.146 1.00 0.00 H new ATOM 0 HA LYS A 50 2.207 -16.762 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.034 -18.694 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.399 -18.447 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.140 -15.995 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.932 -17.114 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.239 -15.765 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.352 -17.103 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.592 -15.015 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.598 -15.803 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.705 -13.993 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.336 -14.145 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.672 -13.240 5.472 1.00 0.00 H new ATOM 908 N GLU A 51 1.591 -19.512 1.546 1.00 0.00 N ATOM 909 CA GLU A 51 2.211 -20.678 0.923 1.00 0.00 C ATOM 910 C GLU A 51 3.538 -20.294 0.277 1.00 0.00 C ATOM 911 O GLU A 51 4.447 -21.115 0.158 1.00 0.00 O ATOM 912 CB GLU A 51 1.275 -21.288 -0.125 1.00 0.00 C ATOM 913 CG GLU A 51 1.179 -22.801 -0.046 1.00 0.00 C ATOM 914 CD GLU A 51 0.454 -23.401 -1.235 1.00 0.00 C ATOM 915 OE1 GLU A 51 -0.757 -23.139 -1.387 1.00 0.00 O ATOM 916 OE2 GLU A 51 1.099 -24.135 -2.013 1.00 0.00 O ATOM 0 H GLU A 51 0.616 -19.363 1.286 1.00 0.00 H new ATOM 0 HA GLU A 51 2.399 -21.420 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.279 -20.862 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.622 -21.006 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.182 -23.223 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.660 -23.081 0.871 1.00 0.00 H new ATOM 923 N LEU A 52 3.643 -19.030 -0.130 1.00 0.00 N ATOM 924 CA LEU A 52 4.856 -18.518 -0.753 1.00 0.00 C ATOM 925 C LEU A 52 6.063 -18.760 0.140 1.00 0.00 C ATOM 926 O LEU A 52 6.000 -18.556 1.353 1.00 0.00 O ATOM 927 CB LEU A 52 4.712 -17.019 -1.025 1.00 0.00 C ATOM 928 CG LEU A 52 3.511 -16.620 -1.883 1.00 0.00 C ATOM 929 CD1 LEU A 52 3.256 -15.123 -1.778 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.734 -17.021 -3.333 1.00 0.00 C ATOM 0 H LEU A 52 2.897 -18.341 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 52 5.006 -19.046 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.643 -16.499 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.620 -16.667 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 52 2.632 -17.147 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.398 -14.856 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.052 -14.861 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.135 -14.579 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.869 -16.729 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.624 -16.521 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.870 -18.101 -3.395 1.00 0.00 H new ATOM 942 N PRO A 53 7.192 -19.187 -0.447 1.00 0.00 N ATOM 943 CA PRO A 53 8.421 -19.439 0.306 1.00 0.00 C ATOM 944 C PRO A 53 9.089 -18.157 0.768 1.00 0.00 C ATOM 945 O PRO A 53 10.285 -18.136 1.057 1.00 0.00 O ATOM 946 CB PRO A 53 9.328 -20.139 -0.699 1.00 0.00 C ATOM 947 CG PRO A 53 8.818 -19.748 -2.044 1.00 0.00 C ATOM 948 CD PRO A 53 7.354 -19.445 -1.889 1.00 0.00 C ATOM 0 HA PRO A 53 8.218 -20.017 1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.366 -19.832 -0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.297 -21.221 -0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.354 -18.877 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.971 -20.553 -2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.061 -18.580 -2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.737 -20.282 -2.216 1.00 0.00 H new ATOM 956 N GLU A 54 8.315 -17.084 0.804 1.00 0.00 N ATOM 957 CA GLU A 54 8.812 -15.779 1.194 1.00 0.00 C ATOM 958 C GLU A 54 9.626 -15.150 0.067 1.00 0.00 C ATOM 959 O GLU A 54 10.007 -13.981 0.136 1.00 0.00 O ATOM 960 CB GLU A 54 9.653 -15.873 2.457 1.00 0.00 C ATOM 961 CG GLU A 54 9.976 -14.514 3.013 1.00 0.00 C ATOM 962 CD GLU A 54 10.848 -14.570 4.251 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.710 -15.536 5.030 1.00 0.00 O ATOM 964 OE2 GLU A 54 11.671 -13.650 4.440 1.00 0.00 O ATOM 0 H GLU A 54 7.324 -17.096 0.563 1.00 0.00 H new ATOM 0 HA GLU A 54 7.951 -15.143 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.119 -16.455 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.578 -16.406 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.480 -13.925 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.047 -13.996 3.253 1.00 0.00 H new ATOM 971 N LYS A 55 9.882 -15.931 -0.974 1.00 0.00 N ATOM 972 CA LYS A 55 10.645 -15.457 -2.122 1.00 0.00 C ATOM 973 C LYS A 55 9.764 -14.644 -3.066 1.00 0.00 C ATOM 974 O LYS A 55 10.259 -13.814 -3.828 1.00 0.00 O ATOM 975 CB LYS A 55 11.262 -16.639 -2.874 1.00 0.00 C ATOM 976 CG LYS A 55 12.043 -17.586 -1.978 1.00 0.00 C ATOM 977 CD LYS A 55 13.544 -17.404 -2.143 1.00 0.00 C ATOM 978 CE LYS A 55 14.151 -18.503 -3.001 1.00 0.00 C ATOM 979 NZ LYS A 55 14.928 -17.948 -4.144 1.00 0.00 N ATOM 0 H LYS A 55 9.571 -16.900 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 55 11.443 -14.812 -1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.469 -17.195 -3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.924 -16.259 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.767 -17.414 -0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.773 -18.616 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.746 -16.434 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.021 -17.402 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.802 -19.125 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.358 -19.148 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.326 -18.728 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.301 -17.375 -4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.700 -17.353 -3.782 1.00 0.00 H new ATOM 993 N LYS A 56 8.456 -14.883 -3.011 1.00 0.00 N ATOM 994 CA LYS A 56 7.516 -14.163 -3.863 1.00 0.00 C ATOM 995 C LYS A 56 7.051 -12.871 -3.201 1.00 0.00 C ATOM 996 O LYS A 56 6.425 -12.030 -3.842 1.00 0.00 O ATOM 997 CB LYS A 56 6.305 -15.033 -4.188 1.00 0.00 C ATOM 998 CG LYS A 56 6.667 -16.399 -4.750 1.00 0.00 C ATOM 999 CD LYS A 56 5.951 -16.673 -6.063 1.00 0.00 C ATOM 1000 CE LYS A 56 5.913 -18.160 -6.377 1.00 0.00 C ATOM 1001 NZ LYS A 56 7.222 -18.653 -6.888 1.00 0.00 N ATOM 0 H LYS A 56 8.025 -15.566 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 56 8.037 -13.915 -4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.712 -15.168 -3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.675 -14.509 -4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.745 -16.455 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.408 -17.171 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.934 -16.285 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.455 -16.142 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.642 -18.714 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.137 -18.355 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.155 -19.671 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.469 -18.142 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.958 -18.490 -6.171 1.00 0.00 H new ATOM 1015 N LYS A 57 7.356 -12.719 -1.918 1.00 0.00 N ATOM 1016 CA LYS A 57 6.969 -11.527 -1.179 1.00 0.00 C ATOM 1017 C LYS A 57 8.109 -10.521 -1.173 1.00 0.00 C ATOM 1018 O LYS A 57 7.888 -9.310 -1.196 1.00 0.00 O ATOM 1019 CB LYS A 57 6.582 -11.898 0.250 1.00 0.00 C ATOM 1020 CG LYS A 57 5.471 -12.927 0.314 1.00 0.00 C ATOM 1021 CD LYS A 57 5.453 -13.650 1.649 1.00 0.00 C ATOM 1022 CE LYS A 57 4.227 -14.537 1.785 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.484 -15.711 2.664 1.00 0.00 N ATOM 0 H LYS A 57 7.870 -13.408 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 57 6.107 -11.074 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.459 -12.285 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.268 -10.999 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.511 -12.437 0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.599 -13.651 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.354 -14.255 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.468 -12.921 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.401 -13.954 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.918 -14.883 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.983 -16.542 2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.505 -15.907 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.144 -15.506 3.625 1.00 0.00 H new ATOM 1037 N MET A 58 9.337 -11.032 -1.173 1.00 0.00 N ATOM 1038 CA MET A 58 10.517 -10.179 -1.194 1.00 0.00 C ATOM 1039 C MET A 58 10.425 -9.208 -2.361 1.00 0.00 C ATOM 1040 O MET A 58 10.976 -8.108 -2.323 1.00 0.00 O ATOM 1041 CB MET A 58 11.781 -11.030 -1.319 1.00 0.00 C ATOM 1042 CG MET A 58 12.328 -11.510 0.016 1.00 0.00 C ATOM 1043 SD MET A 58 14.129 -11.568 0.047 1.00 0.00 S ATOM 1044 CE MET A 58 14.452 -11.126 1.752 1.00 0.00 C ATOM 0 H MET A 58 9.539 -12.032 -1.159 1.00 0.00 H new ATOM 0 HA MET A 58 10.566 -9.616 -0.262 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.565 -11.895 -1.946 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.550 -10.450 -1.830 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.976 -10.849 0.808 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.933 -12.503 0.231 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.528 -11.119 1.928 1.00 0.00 H new ATOM 0 HE2 MET A 58 14.044 -10.136 1.955 1.00 0.00 H new ATOM 0 HE3 MET A 58 13.981 -11.854 2.412 1.00 0.00 H new ATOM 1054 N LYS A 59 9.703 -9.630 -3.392 1.00 0.00 N ATOM 1055 CA LYS A 59 9.502 -8.817 -4.576 1.00 0.00 C ATOM 1056 C LYS A 59 8.341 -7.855 -4.363 1.00 0.00 C ATOM 1057 O LYS A 59 8.481 -6.648 -4.557 1.00 0.00 O ATOM 1058 CB LYS A 59 9.236 -9.701 -5.796 1.00 0.00 C ATOM 1059 CG LYS A 59 8.331 -10.894 -5.524 1.00 0.00 C ATOM 1060 CD LYS A 59 7.142 -10.924 -6.474 1.00 0.00 C ATOM 1061 CE LYS A 59 7.420 -11.799 -7.685 1.00 0.00 C ATOM 1062 NZ LYS A 59 6.217 -12.575 -8.099 1.00 0.00 N ATOM 0 H LYS A 59 9.245 -10.540 -3.427 1.00 0.00 H new ATOM 0 HA LYS A 59 10.409 -8.241 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.787 -9.091 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.189 -10.064 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.903 -11.816 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.974 -10.853 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.264 -11.297 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.911 -9.910 -6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.753 -11.175 -8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.234 -12.487 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.449 -13.159 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.914 -13.190 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.447 -11.919 -8.342 1.00 0.00 H new ATOM 1076 N TYR A 60 7.193 -8.393 -3.954 1.00 0.00 N ATOM 1077 CA TYR A 60 6.015 -7.571 -3.704 1.00 0.00 C ATOM 1078 C TYR A 60 6.340 -6.430 -2.748 1.00 0.00 C ATOM 1079 O TYR A 60 6.071 -5.267 -3.044 1.00 0.00 O ATOM 1080 CB TYR A 60 4.890 -8.407 -3.115 1.00 0.00 C ATOM 1081 CG TYR A 60 4.316 -9.424 -4.068 1.00 0.00 C ATOM 1082 CD1 TYR A 60 3.982 -9.074 -5.370 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.098 -10.733 -3.664 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.450 -10.001 -6.244 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.567 -11.667 -4.529 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.243 -11.297 -5.819 1.00 0.00 C ATOM 1087 OH TYR A 60 2.713 -12.226 -6.685 1.00 0.00 O ATOM 0 H TYR A 60 7.056 -9.390 -3.790 1.00 0.00 H new ATOM 0 HA TYR A 60 5.696 -7.157 -4.661 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.261 -8.923 -2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.092 -7.742 -2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.141 -8.059 -5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.348 -11.026 -2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.198 -9.713 -7.254 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.406 -12.683 -4.199 1.00 0.00 H new ATOM 0 HH TYR A 60 1.804 -12.457 -6.401 1.00 0.00 H new ATOM 1097 N ILE A 61 6.924 -6.767 -1.597 1.00 0.00 N ATOM 1098 CA ILE A 61 7.280 -5.752 -0.613 1.00 0.00 C ATOM 1099 C ILE A 61 8.260 -4.761 -1.224 1.00 0.00 C ATOM 1100 O ILE A 61 8.155 -3.553 -1.011 1.00 0.00 O ATOM 1101 CB ILE A 61 7.904 -6.355 0.671 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.842 -7.049 1.529 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.585 -5.264 1.485 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.184 -8.241 0.866 1.00 0.00 C ATOM 0 H ILE A 61 7.157 -7.723 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 61 6.355 -5.251 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 61 8.642 -7.098 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.302 -7.375 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.072 -6.323 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.020 -5.699 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.372 -4.802 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.852 -4.508 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.446 -8.672 1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.691 -7.921 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.940 -8.989 0.630 1.00 0.00 H new ATOM 1116 N GLN A 62 9.200 -5.281 -2.005 1.00 0.00 N ATOM 1117 CA GLN A 62 10.179 -4.443 -2.669 1.00 0.00 C ATOM 1118 C GLN A 62 9.484 -3.610 -3.729 1.00 0.00 C ATOM 1119 O GLN A 62 9.943 -2.524 -4.091 1.00 0.00 O ATOM 1120 CB GLN A 62 11.279 -5.298 -3.302 1.00 0.00 C ATOM 1121 CG GLN A 62 12.468 -5.531 -2.385 1.00 0.00 C ATOM 1122 CD GLN A 62 13.755 -4.948 -2.937 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.353 -4.054 -2.340 1.00 0.00 O ATOM 1124 NE2 GLN A 62 14.186 -5.454 -4.088 1.00 0.00 N ATOM 0 H GLN A 62 9.301 -6.279 -2.191 1.00 0.00 H new ATOM 0 HA GLN A 62 10.644 -3.784 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.859 -6.261 -3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.624 -4.814 -4.216 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.262 -5.089 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.597 -6.602 -2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.658 -6.195 -4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.045 -5.101 -4.510 1.00 0.00 H new ATOM 1133 N ASP A 63 8.352 -4.121 -4.208 1.00 0.00 N ATOM 1134 CA ASP A 63 7.568 -3.424 -5.209 1.00 0.00 C ATOM 1135 C ASP A 63 6.599 -2.462 -4.532 1.00 0.00 C ATOM 1136 O ASP A 63 6.125 -1.505 -5.143 1.00 0.00 O ATOM 1137 CB ASP A 63 6.801 -4.420 -6.082 1.00 0.00 C ATOM 1138 CG ASP A 63 7.608 -4.879 -7.279 1.00 0.00 C ATOM 1139 OD1 ASP A 63 8.235 -4.023 -7.938 1.00 0.00 O ATOM 1140 OD2 ASP A 63 7.612 -6.097 -7.561 1.00 0.00 O ATOM 0 H ASP A 63 7.962 -5.017 -3.915 1.00 0.00 H new ATOM 0 HA ASP A 63 8.244 -2.857 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.522 -5.286 -5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.875 -3.959 -6.426 1.00 0.00 H new ATOM 1145 N PHE A 64 6.319 -2.730 -3.260 1.00 0.00 N ATOM 1146 CA PHE A 64 5.419 -1.904 -2.474 1.00 0.00 C ATOM 1147 C PHE A 64 6.183 -0.732 -1.862 1.00 0.00 C ATOM 1148 O PHE A 64 5.650 0.369 -1.722 1.00 0.00 O ATOM 1149 CB PHE A 64 4.772 -2.762 -1.375 1.00 0.00 C ATOM 1150 CG PHE A 64 4.735 -2.112 -0.021 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.738 -1.209 0.303 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.702 -2.407 0.923 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.704 -0.609 1.547 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.676 -1.812 2.171 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.675 -0.911 2.483 1.00 0.00 C ATOM 0 H PHE A 64 6.709 -3.523 -2.750 1.00 0.00 H new ATOM 0 HA PHE A 64 4.636 -1.502 -3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.753 -3.007 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.317 -3.703 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.977 -0.970 -0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.486 -3.110 0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.921 0.094 1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.436 -2.051 2.900 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.652 -0.444 3.456 1.00 0.00 H new ATOM 1165 N GLN A 65 7.432 -0.990 -1.495 1.00 0.00 N ATOM 1166 CA GLN A 65 8.284 0.023 -0.887 1.00 0.00 C ATOM 1167 C GLN A 65 8.768 1.040 -1.917 1.00 0.00 C ATOM 1168 O GLN A 65 8.769 2.244 -1.659 1.00 0.00 O ATOM 1169 CB GLN A 65 9.480 -0.646 -0.212 1.00 0.00 C ATOM 1170 CG GLN A 65 10.398 -1.365 -1.183 1.00 0.00 C ATOM 1171 CD GLN A 65 11.580 -2.018 -0.493 1.00 0.00 C ATOM 1172 OE1 GLN A 65 12.731 -1.807 -0.873 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.300 -2.820 0.529 1.00 0.00 N ATOM 0 H GLN A 65 7.880 -1.899 -1.609 1.00 0.00 H new ATOM 0 HA GLN A 65 7.694 0.558 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.053 0.109 0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.117 -1.359 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.830 -2.125 -1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.762 -0.656 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.331 -2.967 0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.054 -3.288 1.031 1.00 0.00 H new ATOM 1182 N ARG A 66 9.188 0.553 -3.083 1.00 0.00 N ATOM 1183 CA ARG A 66 9.680 1.430 -4.141 1.00 0.00 C ATOM 1184 C ARG A 66 8.548 2.249 -4.759 1.00 0.00 C ATOM 1185 O ARG A 66 8.778 3.327 -5.308 1.00 0.00 O ATOM 1186 CB ARG A 66 10.396 0.615 -5.223 1.00 0.00 C ATOM 1187 CG ARG A 66 9.460 -0.201 -6.105 1.00 0.00 C ATOM 1188 CD ARG A 66 9.794 -0.033 -7.578 1.00 0.00 C ATOM 1189 NE ARG A 66 8.620 -0.203 -8.430 1.00 0.00 N ATOM 1190 CZ ARG A 66 8.680 -0.455 -9.736 1.00 0.00 C ATOM 1191 NH1 ARG A 66 9.855 -0.569 -10.344 1.00 0.00 N ATOM 1192 NH2 ARG A 66 7.564 -0.596 -10.435 1.00 0.00 N ATOM 0 H ARG A 66 9.197 -0.440 -3.318 1.00 0.00 H new ATOM 0 HA ARG A 66 10.390 2.124 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.972 1.293 -5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.107 -0.059 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.529 -1.254 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.430 0.108 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.220 0.957 -7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.556 -0.759 -7.862 1.00 0.00 H new ATOM 0 HE ARG A 66 7.699 -0.124 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.718 -0.463 -9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.895 -0.762 -11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.659 -0.512 -9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.610 -0.789 -11.436 1.00 0.00 H new ATOM 1206 N GLU A 67 7.328 1.729 -4.672 1.00 0.00 N ATOM 1207 CA GLU A 67 6.165 2.412 -5.230 1.00 0.00 C ATOM 1208 C GLU A 67 5.482 3.306 -4.193 1.00 0.00 C ATOM 1209 O GLU A 67 4.472 3.941 -4.487 1.00 0.00 O ATOM 1210 CB GLU A 67 5.166 1.392 -5.781 1.00 0.00 C ATOM 1211 CG GLU A 67 4.395 0.642 -4.706 1.00 0.00 C ATOM 1212 CD GLU A 67 3.415 -0.362 -5.284 1.00 0.00 C ATOM 1213 OE1 GLU A 67 2.412 0.070 -5.890 1.00 0.00 O ATOM 1214 OE2 GLU A 67 3.651 -1.578 -5.129 1.00 0.00 O ATOM 0 H GLU A 67 7.119 0.838 -4.221 1.00 0.00 H new ATOM 0 HA GLU A 67 6.516 3.050 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.458 1.906 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.701 0.672 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.098 0.124 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.854 1.357 -4.086 1.00 0.00 H new ATOM 1221 N LYS A 68 6.027 3.345 -2.979 1.00 0.00 N ATOM 1222 CA LYS A 68 5.453 4.159 -1.913 1.00 0.00 C ATOM 1223 C LYS A 68 6.191 5.485 -1.751 1.00 0.00 C ATOM 1224 O LYS A 68 5.705 6.397 -1.082 1.00 0.00 O ATOM 1225 CB LYS A 68 5.470 3.388 -0.590 1.00 0.00 C ATOM 1226 CG LYS A 68 4.112 3.306 0.087 1.00 0.00 C ATOM 1227 CD LYS A 68 4.222 3.518 1.590 1.00 0.00 C ATOM 1228 CE LYS A 68 3.810 4.926 1.985 1.00 0.00 C ATOM 1229 NZ LYS A 68 4.499 5.379 3.226 1.00 0.00 N ATOM 0 H LYS A 68 6.862 2.824 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 68 4.423 4.382 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.836 2.378 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.176 3.865 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.446 4.057 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.664 2.333 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.592 2.795 2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.248 3.334 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.040 5.613 1.171 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.731 4.960 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.191 6.344 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.260 4.738 4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.528 5.372 3.074 1.00 0.00 H new