USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ -126:sc= 0.378 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot -109:sc= 0.833! USER MOD Set 2.1: A 33 HIS : no HE2:sc= -14! C(o=-17!,f=-18!) USER MOD Set 2.2: A 36 MET CE :methyl 150:sc= -2.62 (180deg=0) USER MOD Set 3.1: A 25 LYS NZ :NH3+ -170:sc= -1.52 (180deg=-1.56) USER MOD Set 3.2: A 29 TYR OH : rot -110:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 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 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -4.34! C(o=-4.3!,f=-13!) USER MOD Single : A 42 THR OG1 : rot 46:sc= 1.05 USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.374 (180deg=-1.2!) USER MOD Single : A 46 SER OG : rot -68:sc= -0.163 USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -0.0393 (180deg=-0.258) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -2 USER MOD Single : A 50 LYS NZ :NH3+ -120:sc= -0.0573 (180deg=-0.123) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= -0.0153 (180deg=-0.204) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -138:sc= 1.2 (180deg=-3.28!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.079 X(o=-0.079,f=-0.34) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.05) USER MOD ----------------------------------------------------------------- ATOM 249 N PRO A 14 -0.139 4.009 -0.788 1.00 0.00 N ATOM 250 CA PRO A 14 0.216 2.884 -1.657 1.00 0.00 C ATOM 251 C PRO A 14 -0.524 1.603 -1.288 1.00 0.00 C ATOM 252 O PRO A 14 -1.229 1.549 -0.280 1.00 0.00 O ATOM 253 CB PRO A 14 1.715 2.711 -1.420 1.00 0.00 C ATOM 254 CG PRO A 14 2.194 4.059 -1.011 1.00 0.00 C ATOM 255 CD PRO A 14 1.054 4.705 -0.269 1.00 0.00 C ATOM 0 HA PRO A 14 -0.050 3.079 -2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.910 1.970 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.221 2.369 -2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.077 3.982 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.477 4.652 -1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.155 4.578 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.007 5.777 -0.461 1.00 0.00 H new ATOM 263 N LEU A 15 -0.348 0.574 -2.108 1.00 0.00 N ATOM 264 CA LEU A 15 -0.989 -0.711 -1.870 1.00 0.00 C ATOM 265 C LEU A 15 0.000 -1.699 -1.262 1.00 0.00 C ATOM 266 O LEU A 15 1.209 -1.471 -1.280 1.00 0.00 O ATOM 267 CB LEU A 15 -1.554 -1.276 -3.174 1.00 0.00 C ATOM 268 CG LEU A 15 -2.806 -0.573 -3.696 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.972 -0.818 -5.187 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.036 -1.044 -2.937 1.00 0.00 C ATOM 0 H LEU A 15 0.235 0.606 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.808 -0.558 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.780 -1.223 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.784 -2.331 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.692 0.499 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.869 -0.310 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.102 -0.432 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.064 -1.888 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.919 -0.533 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.154 -2.120 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.919 -0.817 -1.877 1.00 0.00 H new ATOM 282 N THR A 16 -0.520 -2.795 -0.724 1.00 0.00 N ATOM 283 CA THR A 16 0.322 -3.816 -0.113 1.00 0.00 C ATOM 284 C THR A 16 0.534 -4.987 -1.067 1.00 0.00 C ATOM 285 O THR A 16 -0.292 -5.238 -1.945 1.00 0.00 O ATOM 286 CB THR A 16 -0.306 -4.310 1.191 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.631 -4.757 0.971 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.349 -3.254 2.274 1.00 0.00 C ATOM 0 H THR A 16 -1.519 -3.000 -0.698 1.00 0.00 H new ATOM 0 HA THR A 16 1.292 -3.370 0.106 1.00 0.00 H new ATOM 0 HB THR A 16 0.334 -5.125 1.529 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.015 -5.070 1.816 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.806 -3.671 3.171 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.665 -2.926 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.937 -2.403 1.929 1.00 0.00 H new ATOM 296 N PRO A 17 1.646 -5.726 -0.905 1.00 0.00 N ATOM 297 CA PRO A 17 1.960 -6.877 -1.752 1.00 0.00 C ATOM 298 C PRO A 17 0.767 -7.813 -1.905 1.00 0.00 C ATOM 299 O PRO A 17 0.499 -8.322 -2.992 1.00 0.00 O ATOM 300 CB PRO A 17 3.114 -7.579 -1.015 1.00 0.00 C ATOM 301 CG PRO A 17 3.247 -6.880 0.300 1.00 0.00 C ATOM 302 CD PRO A 17 2.676 -5.505 0.112 1.00 0.00 C ATOM 0 HA PRO A 17 2.222 -6.576 -2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.900 -8.638 -0.874 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.040 -7.514 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.711 -7.419 1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.291 -6.828 0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.255 -5.110 1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.431 -4.794 -0.223 1.00 0.00 H new ATOM 310 N TYR A 18 0.043 -8.023 -0.810 1.00 0.00 N ATOM 311 CA TYR A 18 -1.131 -8.882 -0.829 1.00 0.00 C ATOM 312 C TYR A 18 -2.239 -8.232 -1.649 1.00 0.00 C ATOM 313 O TYR A 18 -3.038 -8.916 -2.288 1.00 0.00 O ATOM 314 CB TYR A 18 -1.622 -9.152 0.597 1.00 0.00 C ATOM 315 CG TYR A 18 -2.782 -10.121 0.665 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.807 -11.261 -0.129 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.851 -9.896 1.525 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.865 -12.150 -0.069 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.910 -10.780 1.590 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.913 -11.904 0.792 1.00 0.00 C ATOM 321 OH TYR A 18 -5.968 -12.786 0.855 1.00 0.00 O ATOM 0 H TYR A 18 0.250 -7.610 0.099 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.859 -9.833 -1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.795 -9.546 1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.920 -8.209 1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.987 -11.456 -0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.853 -9.016 2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.870 -13.032 -0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.733 -10.591 2.264 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.622 -12.467 1.512 1.00 0.00 H new ATOM 331 N PHE A 19 -2.270 -6.902 -1.633 1.00 0.00 N ATOM 332 CA PHE A 19 -3.268 -6.151 -2.382 1.00 0.00 C ATOM 333 C PHE A 19 -3.011 -6.279 -3.879 1.00 0.00 C ATOM 334 O PHE A 19 -3.893 -6.677 -4.637 1.00 0.00 O ATOM 335 CB PHE A 19 -3.250 -4.678 -1.967 1.00 0.00 C ATOM 336 CG PHE A 19 -4.589 -4.163 -1.523 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.581 -3.887 -2.450 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.855 -3.953 -0.179 1.00 0.00 C ATOM 339 CE1 PHE A 19 -6.814 -3.413 -2.046 1.00 0.00 C ATOM 340 CE2 PHE A 19 -6.086 -3.480 0.231 1.00 0.00 C ATOM 341 CZ PHE A 19 -7.067 -3.209 -0.702 1.00 0.00 C ATOM 0 H PHE A 19 -1.614 -6.324 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.252 -6.563 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.532 -4.546 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.899 -4.077 -2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.388 -4.044 -3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.091 -4.162 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.579 -3.202 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.281 -3.322 1.281 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.030 -2.838 -0.383 1.00 0.00 H new ATOM 351 N ARG A 20 -1.790 -5.957 -4.296 1.00 0.00 N ATOM 352 CA ARG A 20 -1.415 -6.055 -5.703 1.00 0.00 C ATOM 353 C ARG A 20 -1.477 -7.504 -6.183 1.00 0.00 C ATOM 354 O ARG A 20 -1.400 -7.773 -7.378 1.00 0.00 O ATOM 355 CB ARG A 20 -0.006 -5.499 -5.921 1.00 0.00 C ATOM 356 CG ARG A 20 0.239 -4.162 -5.240 1.00 0.00 C ATOM 357 CD ARG A 20 1.675 -4.046 -4.760 1.00 0.00 C ATOM 358 NE ARG A 20 2.607 -3.864 -5.869 1.00 0.00 N ATOM 359 CZ ARG A 20 2.832 -2.696 -6.466 1.00 0.00 C ATOM 360 NH1 ARG A 20 2.199 -1.602 -6.059 1.00 0.00 N ATOM 361 NH2 ARG A 20 3.691 -2.621 -7.473 1.00 0.00 N ATOM 0 H ARG A 20 -1.045 -5.627 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.125 -5.464 -6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.721 -6.223 -5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.169 -5.388 -6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.018 -3.351 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.440 -4.052 -4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.761 -3.205 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.945 -4.943 -4.202 1.00 0.00 H new ATOM 0 HE ARG A 20 3.116 -4.681 -6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.537 -1.654 -5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.375 -0.709 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.179 -3.458 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.863 -1.726 -7.931 1.00 0.00 H new ATOM 375 N PHE A 21 -1.609 -8.431 -5.237 1.00 0.00 N ATOM 376 CA PHE A 21 -1.676 -9.855 -5.546 1.00 0.00 C ATOM 377 C PHE A 21 -3.123 -10.341 -5.522 1.00 0.00 C ATOM 378 O PHE A 21 -3.536 -11.167 -6.342 1.00 0.00 O ATOM 379 CB PHE A 21 -0.849 -10.626 -4.516 1.00 0.00 C ATOM 380 CG PHE A 21 -0.483 -12.022 -4.927 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.390 -13.059 -4.789 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.775 -12.299 -5.434 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.051 -14.348 -5.153 1.00 0.00 C ATOM 384 CE2 PHE A 21 1.122 -13.584 -5.802 1.00 0.00 C ATOM 385 CZ PHE A 21 0.208 -14.611 -5.659 1.00 0.00 C ATOM 0 H PHE A 21 -1.672 -8.217 -4.242 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.275 -10.026 -6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.066 -10.069 -4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.408 -10.671 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.374 -12.858 -4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.494 -11.500 -5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.768 -15.148 -5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.105 -13.786 -6.201 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.477 -15.618 -5.942 1.00 0.00 H new ATOM 395 N PHE A 22 -3.888 -9.810 -4.576 1.00 0.00 N ATOM 396 CA PHE A 22 -5.289 -10.169 -4.418 1.00 0.00 C ATOM 397 C PHE A 22 -6.140 -9.435 -5.442 1.00 0.00 C ATOM 398 O PHE A 22 -6.796 -10.048 -6.281 1.00 0.00 O ATOM 399 CB PHE A 22 -5.727 -9.824 -2.987 1.00 0.00 C ATOM 400 CG PHE A 22 -7.213 -9.831 -2.755 1.00 0.00 C ATOM 401 CD1 PHE A 22 -7.985 -8.726 -3.080 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.832 -10.933 -2.190 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.347 -8.723 -2.847 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.194 -10.937 -1.957 1.00 0.00 C ATOM 405 CZ PHE A 22 -9.953 -9.830 -2.285 1.00 0.00 C ATOM 0 H PHE A 22 -3.555 -9.122 -3.901 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.421 -11.238 -4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.265 -10.534 -2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.340 -8.837 -2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.517 -7.858 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.243 -11.800 -1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -9.937 -7.856 -3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.665 -11.805 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.017 -9.830 -2.102 1.00 0.00 H new ATOM 415 N MET A 23 -6.109 -8.118 -5.360 1.00 0.00 N ATOM 416 CA MET A 23 -6.864 -7.264 -6.262 1.00 0.00 C ATOM 417 C MET A 23 -6.515 -7.531 -7.727 1.00 0.00 C ATOM 418 O MET A 23 -7.334 -7.297 -8.616 1.00 0.00 O ATOM 419 CB MET A 23 -6.573 -5.809 -5.918 1.00 0.00 C ATOM 420 CG MET A 23 -7.666 -5.153 -5.094 1.00 0.00 C ATOM 421 SD MET A 23 -8.704 -4.047 -6.068 1.00 0.00 S ATOM 422 CE MET A 23 -9.974 -5.179 -6.628 1.00 0.00 C ATOM 0 H MET A 23 -5.560 -7.609 -4.667 1.00 0.00 H new ATOM 0 HA MET A 23 -7.924 -7.482 -6.136 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.633 -5.754 -5.369 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.437 -5.246 -6.841 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.289 -5.926 -4.643 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.212 -4.593 -4.277 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.694 -4.642 -7.245 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.518 -5.977 -7.214 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.484 -5.609 -5.766 1.00 0.00 H new ATOM 432 N GLU A 24 -5.298 -8.003 -7.976 1.00 0.00 N ATOM 433 CA GLU A 24 -4.856 -8.274 -9.343 1.00 0.00 C ATOM 434 C GLU A 24 -5.430 -9.581 -9.886 1.00 0.00 C ATOM 435 O GLU A 24 -5.894 -9.630 -11.025 1.00 0.00 O ATOM 436 CB GLU A 24 -3.323 -8.290 -9.426 1.00 0.00 C ATOM 437 CG GLU A 24 -2.679 -9.584 -8.942 1.00 0.00 C ATOM 438 CD GLU A 24 -1.203 -9.663 -9.281 1.00 0.00 C ATOM 439 OE1 GLU A 24 -0.606 -8.608 -9.588 1.00 0.00 O ATOM 440 OE2 GLU A 24 -0.642 -10.778 -9.240 1.00 0.00 O ATOM 0 H GLU A 24 -4.604 -8.205 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.236 -7.465 -9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.026 -8.115 -10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.931 -7.461 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.805 -9.667 -7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.197 -10.433 -9.389 1.00 0.00 H new ATOM 447 N LYS A 25 -5.391 -10.641 -9.084 1.00 0.00 N ATOM 448 CA LYS A 25 -5.907 -11.931 -9.527 1.00 0.00 C ATOM 449 C LYS A 25 -7.328 -12.175 -9.018 1.00 0.00 C ATOM 450 O LYS A 25 -7.926 -13.211 -9.308 1.00 0.00 O ATOM 451 CB LYS A 25 -4.973 -13.064 -9.095 1.00 0.00 C ATOM 452 CG LYS A 25 -5.101 -13.451 -7.633 1.00 0.00 C ATOM 453 CD LYS A 25 -3.750 -13.824 -7.038 1.00 0.00 C ATOM 454 CE LYS A 25 -3.290 -15.195 -7.508 1.00 0.00 C ATOM 455 NZ LYS A 25 -4.395 -16.194 -7.486 1.00 0.00 N ATOM 0 H LYS A 25 -5.013 -10.633 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.948 -11.913 -10.616 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.174 -13.941 -9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.943 -12.766 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.531 -12.622 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.788 -14.292 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.009 -13.075 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.816 -13.815 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.893 -15.117 -8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.476 -15.542 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.007 -17.145 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.869 -16.167 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.082 -15.968 -8.234 1.00 0.00 H new ATOM 469 N ARG A 26 -7.871 -11.213 -8.273 1.00 0.00 N ATOM 470 CA ARG A 26 -9.224 -11.327 -7.749 1.00 0.00 C ATOM 471 C ARG A 26 -10.186 -11.645 -8.877 1.00 0.00 C ATOM 472 O ARG A 26 -11.125 -12.427 -8.717 1.00 0.00 O ATOM 473 CB ARG A 26 -9.638 -10.022 -7.060 1.00 0.00 C ATOM 474 CG ARG A 26 -9.613 -10.097 -5.545 1.00 0.00 C ATOM 475 CD ARG A 26 -10.221 -11.395 -5.038 1.00 0.00 C ATOM 476 NE ARG A 26 -11.309 -11.861 -5.892 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.486 -11.247 -5.995 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.735 -10.149 -5.293 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.418 -11.734 -6.804 1.00 0.00 N ATOM 0 H ARG A 26 -7.392 -10.348 -8.021 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.252 -12.133 -7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.973 -9.223 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.643 -9.753 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.585 -10.015 -5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.161 -9.251 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.448 -12.161 -4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.593 -11.249 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.159 -12.707 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.022 -9.770 -4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.639 -9.684 -5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.232 -12.578 -7.346 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.320 -11.265 -6.884 1.00 0.00 H new ATOM 493 N ALA A 27 -9.920 -11.049 -10.027 1.00 0.00 N ATOM 494 CA ALA A 27 -10.731 -11.276 -11.212 1.00 0.00 C ATOM 495 C ALA A 27 -10.772 -12.763 -11.524 1.00 0.00 C ATOM 496 O ALA A 27 -11.786 -13.299 -11.973 1.00 0.00 O ATOM 497 CB ALA A 27 -10.158 -10.514 -12.392 1.00 0.00 C ATOM 0 H ALA A 27 -9.145 -10.401 -10.166 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.744 -10.919 -11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.774 -10.692 -13.274 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.147 -9.448 -12.166 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.141 -10.854 -12.585 1.00 0.00 H new ATOM 503 N LYS A 28 -9.647 -13.419 -11.270 1.00 0.00 N ATOM 504 CA LYS A 28 -9.517 -14.850 -11.506 1.00 0.00 C ATOM 505 C LYS A 28 -10.468 -15.643 -10.611 1.00 0.00 C ATOM 506 O LYS A 28 -10.808 -16.786 -10.913 1.00 0.00 O ATOM 507 CB LYS A 28 -8.074 -15.294 -11.257 1.00 0.00 C ATOM 508 CG LYS A 28 -7.590 -16.359 -12.227 1.00 0.00 C ATOM 509 CD LYS A 28 -8.121 -17.736 -11.854 1.00 0.00 C ATOM 510 CE LYS A 28 -8.928 -18.350 -12.988 1.00 0.00 C ATOM 511 NZ LYS A 28 -8.138 -19.359 -13.748 1.00 0.00 N ATOM 0 H LYS A 28 -8.806 -12.978 -10.898 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.781 -15.048 -12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.418 -14.426 -11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.990 -15.676 -10.240 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.911 -16.105 -13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.500 -16.378 -12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.288 -18.392 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.745 -17.657 -10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.824 -18.820 -12.583 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.260 -17.563 -13.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.723 -19.754 -14.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.296 -18.905 -14.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.843 -20.123 -13.107 1.00 0.00 H new ATOM 525 N TYR A 29 -10.892 -15.031 -9.509 1.00 0.00 N ATOM 526 CA TYR A 29 -11.800 -15.684 -8.573 1.00 0.00 C ATOM 527 C TYR A 29 -13.233 -15.211 -8.773 1.00 0.00 C ATOM 528 O TYR A 29 -14.179 -15.961 -8.542 1.00 0.00 O ATOM 529 CB TYR A 29 -11.367 -15.418 -7.132 1.00 0.00 C ATOM 530 CG TYR A 29 -10.078 -16.102 -6.751 1.00 0.00 C ATOM 531 CD1 TYR A 29 -10.060 -17.441 -6.387 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.880 -15.405 -6.754 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.879 -18.068 -6.037 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.698 -16.023 -6.405 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.701 -17.354 -6.047 1.00 0.00 C ATOM 536 OH TYR A 29 -6.522 -17.972 -5.700 1.00 0.00 O ATOM 0 H TYR A 29 -10.621 -14.084 -9.243 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.759 -16.756 -8.768 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.254 -14.343 -6.988 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.157 -15.749 -6.458 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.983 -18.002 -6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.872 -14.362 -7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.880 -19.111 -5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.773 -15.466 -6.412 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.213 -17.626 -4.837 1.00 0.00 H new ATOM 546 N ALA A 30 -13.388 -13.969 -9.219 1.00 0.00 N ATOM 547 CA ALA A 30 -14.712 -13.415 -9.461 1.00 0.00 C ATOM 548 C ALA A 30 -15.334 -14.094 -10.669 1.00 0.00 C ATOM 549 O ALA A 30 -16.544 -14.025 -10.890 1.00 0.00 O ATOM 550 CB ALA A 30 -14.626 -11.913 -9.678 1.00 0.00 C ATOM 0 H ALA A 30 -12.617 -13.331 -9.419 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.341 -13.596 -8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.624 -11.514 -9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.200 -11.441 -8.792 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.992 -11.706 -10.540 1.00 0.00 H new ATOM 556 N LYS A 31 -14.482 -14.748 -11.445 1.00 0.00 N ATOM 557 CA LYS A 31 -14.899 -15.451 -12.636 1.00 0.00 C ATOM 558 C LYS A 31 -14.968 -16.958 -12.389 1.00 0.00 C ATOM 559 O LYS A 31 -15.602 -17.692 -13.145 1.00 0.00 O ATOM 560 CB LYS A 31 -13.904 -15.147 -13.747 1.00 0.00 C ATOM 561 CG LYS A 31 -14.264 -15.780 -15.075 1.00 0.00 C ATOM 562 CD LYS A 31 -13.606 -17.139 -15.239 1.00 0.00 C ATOM 563 CE LYS A 31 -13.158 -17.377 -16.673 1.00 0.00 C ATOM 564 NZ LYS A 31 -11.724 -17.767 -16.751 1.00 0.00 N ATOM 0 H LYS A 31 -13.480 -14.803 -11.260 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.897 -15.118 -12.921 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.835 -14.067 -13.876 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.917 -15.495 -13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.346 -15.887 -15.147 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.954 -15.124 -15.888 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.746 -17.210 -14.573 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.305 -17.920 -14.942 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.771 -18.160 -17.119 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.320 -16.472 -17.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.459 -17.920 -17.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.136 -17.010 -16.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.573 -18.645 -16.214 1.00 0.00 H new ATOM 578 N LEU A 32 -14.302 -17.413 -11.327 1.00 0.00 N ATOM 579 CA LEU A 32 -14.278 -18.832 -10.988 1.00 0.00 C ATOM 580 C LEU A 32 -15.143 -19.142 -9.764 1.00 0.00 C ATOM 581 O LEU A 32 -15.274 -20.302 -9.372 1.00 0.00 O ATOM 582 CB LEU A 32 -12.841 -19.281 -10.730 1.00 0.00 C ATOM 583 CG LEU A 32 -12.674 -20.770 -10.409 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.679 -21.415 -11.363 1.00 0.00 C ATOM 585 CD2 LEU A 32 -12.231 -20.960 -8.966 1.00 0.00 C ATOM 0 H LEU A 32 -13.773 -16.818 -10.689 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.691 -19.380 -11.835 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.240 -19.045 -11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.438 -18.699 -9.901 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.640 -21.259 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.574 -22.472 -11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.038 -21.313 -12.387 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.711 -20.923 -11.267 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.118 -22.024 -8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.277 -20.456 -8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.980 -20.537 -8.297 1.00 0.00 H new ATOM 597 N HIS A 33 -15.735 -18.113 -9.161 1.00 0.00 N ATOM 598 CA HIS A 33 -16.583 -18.308 -7.985 1.00 0.00 C ATOM 599 C HIS A 33 -18.034 -17.924 -8.280 1.00 0.00 C ATOM 600 O HIS A 33 -18.596 -17.041 -7.633 1.00 0.00 O ATOM 601 CB HIS A 33 -16.052 -17.494 -6.798 1.00 0.00 C ATOM 602 CG HIS A 33 -14.879 -18.131 -6.119 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.871 -18.459 -4.779 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.669 -18.503 -6.601 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.708 -19.004 -4.467 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.962 -19.042 -5.555 1.00 0.00 N ATOM 0 H HIS A 33 -15.645 -17.143 -9.463 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.557 -19.367 -7.727 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.766 -16.501 -7.146 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.854 -17.359 -6.072 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -15.643 -18.305 -4.130 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.325 -18.396 -7.619 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.418 -19.358 -3.489 1.00 0.00 H new ATOM 615 N PRO A 34 -18.663 -18.590 -9.266 1.00 0.00 N ATOM 616 CA PRO A 34 -20.055 -18.319 -9.643 1.00 0.00 C ATOM 617 C PRO A 34 -21.044 -18.825 -8.597 1.00 0.00 C ATOM 618 O PRO A 34 -22.133 -18.271 -8.440 1.00 0.00 O ATOM 619 CB PRO A 34 -20.222 -19.093 -10.950 1.00 0.00 C ATOM 620 CG PRO A 34 -19.247 -20.213 -10.847 1.00 0.00 C ATOM 621 CD PRO A 34 -18.069 -19.661 -10.092 1.00 0.00 C ATOM 0 HA PRO A 34 -20.255 -17.251 -9.734 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -21.241 -19.463 -11.065 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.013 -18.463 -11.814 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.683 -21.064 -10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.949 -20.564 -11.835 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.592 -20.425 -9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.306 -19.272 -10.766 1.00 0.00 H new ATOM 629 N GLU A 35 -20.659 -19.878 -7.886 1.00 0.00 N ATOM 630 CA GLU A 35 -21.512 -20.456 -6.854 1.00 0.00 C ATOM 631 C GLU A 35 -21.061 -20.021 -5.466 1.00 0.00 C ATOM 632 O GLU A 35 -21.422 -20.633 -4.461 1.00 0.00 O ATOM 633 CB GLU A 35 -21.505 -21.983 -6.952 1.00 0.00 C ATOM 634 CG GLU A 35 -22.815 -22.618 -6.524 1.00 0.00 C ATOM 635 CD GLU A 35 -23.073 -23.945 -7.211 1.00 0.00 C ATOM 636 OE1 GLU A 35 -22.369 -24.925 -6.890 1.00 0.00 O ATOM 637 OE2 GLU A 35 -23.979 -24.003 -8.067 1.00 0.00 O ATOM 0 H GLU A 35 -19.762 -20.349 -8.005 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.527 -20.094 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.287 -22.273 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.699 -22.376 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -22.806 -22.768 -5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -23.635 -21.934 -6.744 1.00 0.00 H new ATOM 644 N MET A 36 -20.277 -18.953 -5.421 1.00 0.00 N ATOM 645 CA MET A 36 -19.774 -18.419 -4.160 1.00 0.00 C ATOM 646 C MET A 36 -20.110 -16.932 -4.047 1.00 0.00 C ATOM 647 O MET A 36 -21.118 -16.477 -4.589 1.00 0.00 O ATOM 648 CB MET A 36 -18.262 -18.643 -4.046 1.00 0.00 C ATOM 649 CG MET A 36 -17.763 -19.883 -4.776 1.00 0.00 C ATOM 650 SD MET A 36 -16.537 -20.803 -3.827 1.00 0.00 S ATOM 651 CE MET A 36 -15.480 -21.408 -5.140 1.00 0.00 C ATOM 0 H MET A 36 -19.974 -18.436 -6.246 1.00 0.00 H new ATOM 0 HA MET A 36 -20.258 -18.947 -3.339 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.745 -17.769 -4.441 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.995 -18.722 -2.992 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.609 -20.534 -4.997 1.00 0.00 H new ATOM 0 HG3 MET A 36 -17.330 -19.587 -5.732 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.461 -21.512 -4.768 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.843 -22.377 -5.482 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.492 -20.703 -5.971 1.00 0.00 H new ATOM 661 N SER A 37 -19.273 -16.175 -3.341 1.00 0.00 N ATOM 662 CA SER A 37 -19.506 -14.747 -3.166 1.00 0.00 C ATOM 663 C SER A 37 -18.206 -13.958 -3.283 1.00 0.00 C ATOM 664 O SER A 37 -18.080 -13.058 -4.112 1.00 0.00 O ATOM 665 CB SER A 37 -20.142 -14.486 -1.802 1.00 0.00 C ATOM 666 OG SER A 37 -20.413 -13.108 -1.617 1.00 0.00 O ATOM 0 H SER A 37 -18.432 -16.526 -2.884 1.00 0.00 H new ATOM 0 HA SER A 37 -20.181 -14.416 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 37 -21.067 -15.056 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.475 -14.837 -1.014 1.00 0.00 H new ATOM 0 HG SER A 37 -20.821 -12.970 -0.737 1.00 0.00 H new ATOM 672 N ASN A 38 -17.250 -14.302 -2.430 1.00 0.00 N ATOM 673 CA ASN A 38 -15.949 -13.636 -2.400 1.00 0.00 C ATOM 674 C ASN A 38 -15.162 -14.067 -1.168 1.00 0.00 C ATOM 675 O ASN A 38 -13.932 -14.007 -1.150 1.00 0.00 O ATOM 676 CB ASN A 38 -16.130 -12.117 -2.396 1.00 0.00 C ATOM 677 CG ASN A 38 -15.863 -11.497 -3.754 1.00 0.00 C ATOM 678 OD1 ASN A 38 -15.254 -12.120 -4.625 1.00 0.00 O ATOM 679 ND2 ASN A 38 -16.316 -10.263 -3.943 1.00 0.00 N ATOM 0 H ASN A 38 -17.351 -15.047 -1.741 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.393 -13.924 -3.293 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.146 -11.876 -2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.457 -11.676 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.164 -9.795 -4.837 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -16.816 -9.783 -3.195 1.00 0.00 H new ATOM 686 N LEU A 39 -15.880 -14.507 -0.139 1.00 0.00 N ATOM 687 CA LEU A 39 -15.250 -14.958 1.093 1.00 0.00 C ATOM 688 C LEU A 39 -14.493 -16.255 0.848 1.00 0.00 C ATOM 689 O LEU A 39 -13.412 -16.469 1.395 1.00 0.00 O ATOM 690 CB LEU A 39 -16.298 -15.160 2.188 1.00 0.00 C ATOM 691 CG LEU A 39 -16.916 -13.871 2.739 1.00 0.00 C ATOM 692 CD1 LEU A 39 -18.306 -13.654 2.161 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.970 -13.910 4.260 1.00 0.00 C ATOM 0 H LEU A 39 -16.899 -14.560 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.547 -14.194 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.097 -15.788 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.840 -15.707 3.012 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.285 -13.034 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.728 -12.734 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.241 -13.578 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.946 -14.495 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.412 -12.986 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -17.576 -14.757 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.960 -14.015 4.657 1.00 0.00 H new ATOM 705 N ASP A 40 -15.065 -17.111 0.007 1.00 0.00 N ATOM 706 CA ASP A 40 -14.437 -18.383 -0.325 1.00 0.00 C ATOM 707 C ASP A 40 -13.087 -18.144 -0.992 1.00 0.00 C ATOM 708 O ASP A 40 -12.060 -18.654 -0.546 1.00 0.00 O ATOM 709 CB ASP A 40 -15.343 -19.200 -1.250 1.00 0.00 C ATOM 710 CG ASP A 40 -16.279 -20.113 -0.484 1.00 0.00 C ATOM 711 OD1 ASP A 40 -15.786 -20.911 0.343 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.505 -20.029 -0.706 1.00 0.00 O ATOM 0 H ASP A 40 -15.959 -16.947 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.282 -18.945 0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.929 -18.523 -1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.727 -19.797 -1.922 1.00 0.00 H new ATOM 717 N LEU A 41 -13.102 -17.358 -2.063 1.00 0.00 N ATOM 718 CA LEU A 41 -11.885 -17.035 -2.798 1.00 0.00 C ATOM 719 C LEU A 41 -10.887 -16.294 -1.909 1.00 0.00 C ATOM 720 O LEU A 41 -9.698 -16.609 -1.903 1.00 0.00 O ATOM 721 CB LEU A 41 -12.212 -16.193 -4.036 1.00 0.00 C ATOM 722 CG LEU A 41 -13.354 -15.186 -3.878 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.833 -13.762 -3.992 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.438 -15.439 -4.916 1.00 0.00 C ATOM 0 H LEU A 41 -13.947 -16.931 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.430 -17.972 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.313 -15.651 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.459 -16.868 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.788 -15.316 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.660 -13.062 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.094 -13.582 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.371 -13.621 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.241 -14.713 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.015 -15.339 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.835 -16.446 -4.789 1.00 0.00 H new ATOM 736 N THR A 42 -11.379 -15.311 -1.159 1.00 0.00 N ATOM 737 CA THR A 42 -10.524 -14.530 -0.266 1.00 0.00 C ATOM 738 C THR A 42 -9.688 -15.445 0.627 1.00 0.00 C ATOM 739 O THR A 42 -8.497 -15.208 0.831 1.00 0.00 O ATOM 740 CB THR A 42 -11.372 -13.590 0.596 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.080 -12.670 -0.215 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.559 -12.787 1.592 1.00 0.00 C ATOM 0 H THR A 42 -12.361 -15.036 -1.151 1.00 0.00 H new ATOM 0 HA THR A 42 -9.848 -13.936 -0.880 1.00 0.00 H new ATOM 0 HB THR A 42 -12.051 -14.241 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.497 -13.147 -0.963 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.223 -12.143 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.036 -13.466 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.832 -12.174 1.059 1.00 0.00 H new ATOM 750 N LYS A 43 -10.316 -16.493 1.147 1.00 0.00 N ATOM 751 CA LYS A 43 -9.630 -17.447 2.009 1.00 0.00 C ATOM 752 C LYS A 43 -8.505 -18.137 1.240 1.00 0.00 C ATOM 753 O LYS A 43 -7.440 -18.418 1.789 1.00 0.00 O ATOM 754 CB LYS A 43 -10.637 -18.471 2.559 1.00 0.00 C ATOM 755 CG LYS A 43 -10.114 -19.899 2.650 1.00 0.00 C ATOM 756 CD LYS A 43 -10.454 -20.692 1.399 1.00 0.00 C ATOM 757 CE LYS A 43 -10.289 -22.187 1.624 1.00 0.00 C ATOM 758 NZ LYS A 43 -10.905 -22.627 2.905 1.00 0.00 N ATOM 0 H LYS A 43 -11.301 -16.704 0.986 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.185 -16.918 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.953 -18.151 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.524 -18.464 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.033 -19.884 2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.543 -20.391 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.480 -20.479 1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.810 -20.373 0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.744 -22.731 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.229 -22.439 1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.046 -23.657 2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.277 -22.378 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.823 -22.154 3.030 1.00 0.00 H new ATOM 772 N ILE A 44 -8.756 -18.407 -0.035 1.00 0.00 N ATOM 773 CA ILE A 44 -7.779 -19.064 -0.895 1.00 0.00 C ATOM 774 C ILE A 44 -6.513 -18.223 -1.038 1.00 0.00 C ATOM 775 O ILE A 44 -5.398 -18.740 -0.950 1.00 0.00 O ATOM 776 CB ILE A 44 -8.362 -19.326 -2.298 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.663 -20.123 -2.200 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.357 -20.059 -3.172 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.445 -20.153 -3.494 1.00 0.00 C ATOM 0 H ILE A 44 -9.635 -18.179 -0.499 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.529 -20.014 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.580 -18.363 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.433 -21.145 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.287 -19.692 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.790 -20.233 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.455 -19.456 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.104 -21.015 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.356 -20.735 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.705 -19.135 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.838 -20.611 -4.275 1.00 0.00 H new ATOM 791 N LEU A 45 -6.694 -16.928 -1.271 1.00 0.00 N ATOM 792 CA LEU A 45 -5.570 -16.014 -1.443 1.00 0.00 C ATOM 793 C LEU A 45 -4.831 -15.771 -0.129 1.00 0.00 C ATOM 794 O LEU A 45 -3.680 -15.335 -0.131 1.00 0.00 O ATOM 795 CB LEU A 45 -6.059 -14.688 -2.026 1.00 0.00 C ATOM 796 CG LEU A 45 -6.556 -14.770 -3.468 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.326 -13.515 -3.845 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.391 -14.986 -4.419 1.00 0.00 C ATOM 0 H LEU A 45 -7.610 -16.486 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.867 -16.478 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.865 -14.306 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.246 -13.963 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.232 -15.621 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.670 -13.595 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.185 -13.402 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.676 -12.646 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.762 -15.042 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.691 -14.155 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.882 -15.916 -4.166 1.00 0.00 H new ATOM 810 N SER A 46 -5.490 -16.054 0.989 1.00 0.00 N ATOM 811 CA SER A 46 -4.875 -15.862 2.297 1.00 0.00 C ATOM 812 C SER A 46 -3.983 -17.045 2.658 1.00 0.00 C ATOM 813 O SER A 46 -3.100 -16.935 3.508 1.00 0.00 O ATOM 814 CB SER A 46 -5.947 -15.664 3.373 1.00 0.00 C ATOM 815 OG SER A 46 -7.244 -15.906 2.854 1.00 0.00 O ATOM 0 H SER A 46 -6.444 -16.415 1.016 1.00 0.00 H new ATOM 0 HA SER A 46 -4.257 -14.966 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.756 -16.337 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.892 -14.647 3.762 1.00 0.00 H new ATOM 0 HG SER A 46 -7.471 -15.209 2.203 1.00 0.00 H new ATOM 821 N LYS A 47 -4.220 -18.175 2.004 1.00 0.00 N ATOM 822 CA LYS A 47 -3.449 -19.377 2.247 1.00 0.00 C ATOM 823 C LYS A 47 -2.221 -19.431 1.345 1.00 0.00 C ATOM 824 O LYS A 47 -1.143 -19.851 1.770 1.00 0.00 O ATOM 825 CB LYS A 47 -4.333 -20.593 2.003 1.00 0.00 C ATOM 826 CG LYS A 47 -3.996 -21.778 2.886 1.00 0.00 C ATOM 827 CD LYS A 47 -4.031 -21.409 4.361 1.00 0.00 C ATOM 828 CE LYS A 47 -4.760 -22.459 5.183 1.00 0.00 C ATOM 829 NZ LYS A 47 -6.205 -22.531 4.833 1.00 0.00 N ATOM 0 H LYS A 47 -4.947 -18.279 1.296 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.104 -19.372 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.374 -20.313 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.244 -20.892 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.703 -22.586 2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.006 -22.154 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.013 -21.297 4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.523 -20.444 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.298 -23.433 5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.654 -22.229 6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.738 -22.923 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.558 -21.577 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.331 -23.144 4.002 1.00 0.00 H new ATOM 843 N LYS A 48 -2.389 -19.002 0.099 1.00 0.00 N ATOM 844 CA LYS A 48 -1.294 -19.001 -0.863 1.00 0.00 C ATOM 845 C LYS A 48 -0.287 -17.904 -0.537 1.00 0.00 C ATOM 846 O LYS A 48 0.910 -18.164 -0.415 1.00 0.00 O ATOM 847 CB LYS A 48 -1.832 -18.807 -2.282 1.00 0.00 C ATOM 848 CG LYS A 48 -2.947 -19.771 -2.648 1.00 0.00 C ATOM 849 CD LYS A 48 -3.777 -19.247 -3.808 1.00 0.00 C ATOM 850 CE LYS A 48 -4.288 -20.377 -4.688 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.659 -20.357 -6.038 1.00 0.00 N ATOM 0 H LYS A 48 -3.273 -18.650 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.790 -19.965 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.198 -17.786 -2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.013 -18.926 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.521 -20.739 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.590 -19.931 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.621 -18.675 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.175 -18.563 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.084 -21.333 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.370 -20.297 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.034 -21.143 -6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.875 -19.455 -6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.628 -20.459 -5.942 1.00 0.00 H new ATOM 865 N TYR A 49 -0.779 -16.676 -0.402 1.00 0.00 N ATOM 866 CA TYR A 49 0.067 -15.536 -0.097 1.00 0.00 C ATOM 867 C TYR A 49 1.001 -15.826 1.076 1.00 0.00 C ATOM 868 O TYR A 49 2.187 -15.517 1.021 1.00 0.00 O ATOM 869 CB TYR A 49 -0.797 -14.318 0.214 1.00 0.00 C ATOM 870 CG TYR A 49 0.004 -13.064 0.427 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.697 -12.483 -0.622 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.073 -12.467 1.676 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.441 -11.332 -0.434 1.00 0.00 C ATOM 874 CE2 TYR A 49 0.813 -11.317 1.876 1.00 0.00 C ATOM 875 CZ TYR A 49 1.496 -10.753 0.818 1.00 0.00 C ATOM 876 OH TYR A 49 2.235 -9.609 1.013 1.00 0.00 O ATOM 0 H TYR A 49 -1.768 -16.448 -0.501 1.00 0.00 H new ATOM 0 HA TYR A 49 0.684 -15.333 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.498 -14.159 -0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.390 -14.519 1.106 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.656 -12.935 -1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.460 -12.907 2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.975 -10.889 -1.261 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.856 -10.862 2.855 1.00 0.00 H new ATOM 0 HH TYR A 49 2.167 -9.331 1.950 1.00 0.00 H new ATOM 886 N LYS A 50 0.463 -16.419 2.135 1.00 0.00 N ATOM 887 CA LYS A 50 1.264 -16.741 3.310 1.00 0.00 C ATOM 888 C LYS A 50 2.242 -17.867 3.005 1.00 0.00 C ATOM 889 O LYS A 50 3.442 -17.750 3.255 1.00 0.00 O ATOM 890 CB LYS A 50 0.362 -17.143 4.475 1.00 0.00 C ATOM 891 CG LYS A 50 -0.375 -15.974 5.098 1.00 0.00 C ATOM 892 CD LYS A 50 0.340 -15.460 6.338 1.00 0.00 C ATOM 893 CE LYS A 50 1.725 -14.927 6.006 1.00 0.00 C ATOM 894 NZ LYS A 50 1.661 -13.702 5.163 1.00 0.00 N ATOM 0 H LYS A 50 -0.519 -16.686 2.205 1.00 0.00 H new ATOM 0 HA LYS A 50 1.830 -15.851 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.365 -17.876 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.965 -17.632 5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.465 -15.169 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.388 -16.280 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.253 -14.671 6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.425 -16.264 7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.259 -14.705 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.295 -15.697 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.153 -13.874 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.667 -13.462 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.119 -12.913 5.662 1.00 0.00 H new ATOM 908 N GLU A 51 1.716 -18.959 2.464 1.00 0.00 N ATOM 909 CA GLU A 51 2.533 -20.122 2.120 1.00 0.00 C ATOM 910 C GLU A 51 3.790 -19.713 1.353 1.00 0.00 C ATOM 911 O GLU A 51 4.810 -20.401 1.408 1.00 0.00 O ATOM 912 CB GLU A 51 1.716 -21.113 1.289 1.00 0.00 C ATOM 913 CG GLU A 51 2.260 -22.531 1.330 1.00 0.00 C ATOM 914 CD GLU A 51 2.348 -23.165 -0.045 1.00 0.00 C ATOM 915 OE1 GLU A 51 1.321 -23.185 -0.757 1.00 0.00 O ATOM 916 OE2 GLU A 51 3.442 -23.641 -0.410 1.00 0.00 O ATOM 0 H GLU A 51 0.724 -19.066 2.252 1.00 0.00 H new ATOM 0 HA GLU A 51 2.843 -20.599 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.687 -21.116 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.690 -20.772 0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.250 -22.523 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.621 -23.142 1.967 1.00 0.00 H new ATOM 923 N LEU A 52 3.712 -18.593 0.638 1.00 0.00 N ATOM 924 CA LEU A 52 4.846 -18.098 -0.139 1.00 0.00 C ATOM 925 C LEU A 52 6.120 -18.049 0.706 1.00 0.00 C ATOM 926 O LEU A 52 6.122 -17.503 1.808 1.00 0.00 O ATOM 927 CB LEU A 52 4.545 -16.706 -0.697 1.00 0.00 C ATOM 928 CG LEU A 52 3.768 -16.689 -2.015 1.00 0.00 C ATOM 929 CD1 LEU A 52 2.874 -15.462 -2.093 1.00 0.00 C ATOM 930 CD2 LEU A 52 4.724 -16.728 -3.196 1.00 0.00 C ATOM 0 H LEU A 52 2.876 -18.011 0.581 1.00 0.00 H new ATOM 0 HA LEU A 52 5.007 -18.791 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.978 -16.148 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.488 -16.178 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 52 3.136 -17.576 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.330 -15.468 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.165 -15.475 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.486 -14.562 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.155 -16.715 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.381 -15.859 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.323 -17.638 -3.150 1.00 0.00 H new ATOM 942 N PRO A 53 7.225 -18.622 0.193 1.00 0.00 N ATOM 943 CA PRO A 53 8.511 -18.643 0.900 1.00 0.00 C ATOM 944 C PRO A 53 9.213 -17.292 0.919 1.00 0.00 C ATOM 945 O PRO A 53 10.437 -17.224 1.027 1.00 0.00 O ATOM 946 CB PRO A 53 9.356 -19.611 0.087 1.00 0.00 C ATOM 947 CG PRO A 53 8.750 -19.639 -1.274 1.00 0.00 C ATOM 948 CD PRO A 53 7.295 -19.300 -1.115 1.00 0.00 C ATOM 0 HA PRO A 53 8.365 -18.919 1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.395 -19.283 0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.353 -20.604 0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.243 -18.922 -1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.869 -20.622 -1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.946 -18.652 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.673 -20.195 -1.134 1.00 0.00 H new ATOM 956 N GLU A 54 8.446 -16.229 0.786 1.00 0.00 N ATOM 957 CA GLU A 54 9.002 -14.878 0.761 1.00 0.00 C ATOM 958 C GLU A 54 10.000 -14.725 -0.384 1.00 0.00 C ATOM 959 O GLU A 54 10.685 -13.707 -0.480 1.00 0.00 O ATOM 960 CB GLU A 54 9.680 -14.516 2.092 1.00 0.00 C ATOM 961 CG GLU A 54 9.550 -15.574 3.177 1.00 0.00 C ATOM 962 CD GLU A 54 9.742 -15.010 4.570 1.00 0.00 C ATOM 963 OE1 GLU A 54 8.763 -14.478 5.136 1.00 0.00 O ATOM 964 OE2 GLU A 54 10.871 -15.101 5.098 1.00 0.00 O ATOM 0 H GLU A 54 7.431 -16.268 0.693 1.00 0.00 H new ATOM 0 HA GLU A 54 8.169 -14.192 0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.738 -14.332 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.254 -13.583 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.566 -16.038 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.286 -16.359 3.003 1.00 0.00 H new ATOM 971 N LYS A 55 10.079 -15.730 -1.257 1.00 0.00 N ATOM 972 CA LYS A 55 10.996 -15.668 -2.383 1.00 0.00 C ATOM 973 C LYS A 55 10.427 -14.774 -3.480 1.00 0.00 C ATOM 974 O LYS A 55 11.166 -14.086 -4.185 1.00 0.00 O ATOM 975 CB LYS A 55 11.282 -17.073 -2.929 1.00 0.00 C ATOM 976 CG LYS A 55 10.165 -17.640 -3.793 1.00 0.00 C ATOM 977 CD LYS A 55 10.415 -17.378 -5.270 1.00 0.00 C ATOM 978 CE LYS A 55 11.687 -18.055 -5.753 1.00 0.00 C ATOM 979 NZ LYS A 55 12.740 -17.066 -6.116 1.00 0.00 N ATOM 0 H LYS A 55 9.524 -16.584 -1.203 1.00 0.00 H new ATOM 0 HA LYS A 55 11.937 -15.240 -2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.201 -17.044 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.458 -17.748 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.080 -18.713 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.215 -17.195 -3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.567 -17.739 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.486 -16.304 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.064 -18.717 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.460 -18.678 -6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.676 -17.514 -6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.586 -16.737 -7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.694 -16.256 -5.466 1.00 0.00 H new ATOM 993 N LYS A 56 9.104 -14.788 -3.610 1.00 0.00 N ATOM 994 CA LYS A 56 8.418 -13.980 -4.614 1.00 0.00 C ATOM 995 C LYS A 56 7.885 -12.689 -3.997 1.00 0.00 C ATOM 996 O LYS A 56 7.733 -11.678 -4.684 1.00 0.00 O ATOM 997 CB LYS A 56 7.267 -14.772 -5.239 1.00 0.00 C ATOM 998 CG LYS A 56 7.689 -16.125 -5.788 1.00 0.00 C ATOM 999 CD LYS A 56 6.556 -16.797 -6.547 1.00 0.00 C ATOM 1000 CE LYS A 56 6.996 -18.124 -7.145 1.00 0.00 C ATOM 1001 NZ LYS A 56 5.991 -18.662 -8.103 1.00 0.00 N ATOM 0 H LYS A 56 8.483 -15.352 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 56 9.137 -13.723 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.489 -14.919 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.827 -14.184 -6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.547 -15.999 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.010 -16.767 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.714 -16.961 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.207 -16.137 -7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.950 -17.994 -7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.158 -18.847 -6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.328 -19.567 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.087 -18.811 -7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.855 -17.984 -8.880 1.00 0.00 H new ATOM 1015 N LYS A 57 7.612 -12.728 -2.696 1.00 0.00 N ATOM 1016 CA LYS A 57 7.107 -11.562 -1.982 1.00 0.00 C ATOM 1017 C LYS A 57 8.147 -10.456 -1.990 1.00 0.00 C ATOM 1018 O LYS A 57 7.818 -9.280 -2.144 1.00 0.00 O ATOM 1019 CB LYS A 57 6.741 -11.934 -0.546 1.00 0.00 C ATOM 1020 CG LYS A 57 5.741 -13.072 -0.457 1.00 0.00 C ATOM 1021 CD LYS A 57 5.853 -13.815 0.865 1.00 0.00 C ATOM 1022 CE LYS A 57 4.491 -14.047 1.494 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.440 -15.326 2.254 1.00 0.00 N ATOM 0 H LYS A 57 7.733 -13.557 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 57 6.209 -11.205 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.647 -12.213 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.330 -11.058 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.731 -12.679 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.906 -13.767 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.348 -14.773 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.479 -13.245 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.254 -13.219 2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.729 -14.057 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.537 -15.806 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.226 -15.938 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.521 -15.128 3.272 1.00 0.00 H new ATOM 1037 N MET A 58 9.413 -10.846 -1.849 1.00 0.00 N ATOM 1038 CA MET A 58 10.513 -9.890 -1.866 1.00 0.00 C ATOM 1039 C MET A 58 10.348 -8.923 -3.032 1.00 0.00 C ATOM 1040 O MET A 58 10.780 -7.772 -2.972 1.00 0.00 O ATOM 1041 CB MET A 58 11.847 -10.628 -1.986 1.00 0.00 C ATOM 1042 CG MET A 58 12.443 -11.029 -0.645 1.00 0.00 C ATOM 1043 SD MET A 58 13.980 -11.956 -0.819 1.00 0.00 S ATOM 1044 CE MET A 58 14.153 -12.635 0.829 1.00 0.00 C ATOM 0 H MET A 58 9.700 -11.817 -1.722 1.00 0.00 H new ATOM 0 HA MET A 58 10.503 -9.325 -0.934 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.705 -11.522 -2.593 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.558 -9.993 -2.515 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.628 -10.134 -0.052 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.720 -11.632 -0.096 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.061 -13.236 0.881 1.00 0.00 H new ATOM 0 HE2 MET A 58 14.214 -11.822 1.553 1.00 0.00 H new ATOM 0 HE3 MET A 58 13.290 -13.261 1.057 1.00 0.00 H new ATOM 1054 N LYS A 59 9.693 -9.404 -4.087 1.00 0.00 N ATOM 1055 CA LYS A 59 9.436 -8.593 -5.267 1.00 0.00 C ATOM 1056 C LYS A 59 8.257 -7.661 -5.008 1.00 0.00 C ATOM 1057 O LYS A 59 8.328 -6.460 -5.266 1.00 0.00 O ATOM 1058 CB LYS A 59 9.166 -9.500 -6.478 1.00 0.00 C ATOM 1059 CG LYS A 59 7.761 -9.378 -7.057 1.00 0.00 C ATOM 1060 CD LYS A 59 7.599 -10.230 -8.307 1.00 0.00 C ATOM 1061 CE LYS A 59 6.878 -11.533 -8.003 1.00 0.00 C ATOM 1062 NZ LYS A 59 5.937 -11.916 -9.093 1.00 0.00 N ATOM 0 H LYS A 59 9.331 -10.356 -4.145 1.00 0.00 H new ATOM 0 HA LYS A 59 10.313 -7.984 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.889 -9.267 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.336 -10.536 -6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.030 -9.684 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.554 -8.335 -7.297 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.042 -9.672 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.580 -10.446 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.610 -12.328 -7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.328 -11.434 -7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.989 -12.073 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.894 -11.153 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.270 -12.790 -9.548 1.00 0.00 H new ATOM 1076 N TYR A 60 7.173 -8.231 -4.486 1.00 0.00 N ATOM 1077 CA TYR A 60 5.976 -7.461 -4.179 1.00 0.00 C ATOM 1078 C TYR A 60 6.266 -6.419 -3.108 1.00 0.00 C ATOM 1079 O TYR A 60 5.965 -5.238 -3.282 1.00 0.00 O ATOM 1080 CB TYR A 60 4.857 -8.376 -3.699 1.00 0.00 C ATOM 1081 CG TYR A 60 4.489 -9.463 -4.680 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.349 -9.184 -6.034 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.276 -10.765 -4.252 1.00 0.00 C ATOM 1084 CE1 TYR A 60 4.007 -10.174 -6.932 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.935 -11.762 -5.145 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.800 -11.462 -6.484 1.00 0.00 C ATOM 1087 OH TYR A 60 3.459 -12.451 -7.376 1.00 0.00 O ATOM 0 H TYR A 60 7.102 -9.225 -4.268 1.00 0.00 H new ATOM 0 HA TYR A 60 5.662 -6.957 -5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.157 -8.837 -2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.973 -7.773 -3.492 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.510 -8.177 -6.389 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.378 -11.003 -3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.902 -9.941 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.775 -12.772 -4.796 1.00 0.00 H new ATOM 0 HH TYR A 60 2.524 -12.710 -7.236 1.00 0.00 H new ATOM 1097 N ILE A 61 6.855 -6.859 -1.998 1.00 0.00 N ATOM 1098 CA ILE A 61 7.181 -5.946 -0.911 1.00 0.00 C ATOM 1099 C ILE A 61 8.129 -4.862 -1.411 1.00 0.00 C ATOM 1100 O ILE A 61 8.067 -3.714 -0.969 1.00 0.00 O ATOM 1101 CB ILE A 61 7.818 -6.666 0.300 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.776 -7.507 1.046 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.437 -5.650 1.251 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.140 -8.589 0.204 1.00 0.00 C ATOM 0 H ILE A 61 7.113 -7.832 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 61 6.243 -5.504 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 61 8.598 -7.330 -0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.249 -7.967 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.994 -6.847 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.882 -6.170 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.207 -5.084 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.665 -4.968 1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.415 -9.138 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.635 -8.136 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.910 -9.274 -0.151 1.00 0.00 H new ATOM 1116 N GLN A 62 8.988 -5.232 -2.355 1.00 0.00 N ATOM 1117 CA GLN A 62 9.928 -4.290 -2.936 1.00 0.00 C ATOM 1118 C GLN A 62 9.176 -3.300 -3.811 1.00 0.00 C ATOM 1119 O GLN A 62 9.667 -2.210 -4.102 1.00 0.00 O ATOM 1120 CB GLN A 62 10.987 -5.024 -3.760 1.00 0.00 C ATOM 1121 CG GLN A 62 12.208 -5.432 -2.952 1.00 0.00 C ATOM 1122 CD GLN A 62 13.342 -4.432 -3.065 1.00 0.00 C ATOM 1123 OE1 GLN A 62 13.308 -3.366 -2.448 1.00 0.00 O ATOM 1124 NE2 GLN A 62 14.353 -4.770 -3.855 1.00 0.00 N ATOM 0 H GLN A 62 9.050 -6.178 -2.732 1.00 0.00 H new ATOM 0 HA GLN A 62 10.433 -3.753 -2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.539 -5.914 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.303 -4.384 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.927 -5.540 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.554 -6.408 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.339 -5.663 -4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.144 -4.136 -3.970 1.00 0.00 H new ATOM 1133 N ASP A 63 7.966 -3.687 -4.211 1.00 0.00 N ATOM 1134 CA ASP A 63 7.129 -2.832 -5.032 1.00 0.00 C ATOM 1135 C ASP A 63 6.289 -1.925 -4.140 1.00 0.00 C ATOM 1136 O ASP A 63 5.942 -0.806 -4.517 1.00 0.00 O ATOM 1137 CB ASP A 63 6.226 -3.673 -5.936 1.00 0.00 C ATOM 1138 CG ASP A 63 6.630 -3.593 -7.394 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.225 -2.622 -8.070 1.00 0.00 O ATOM 1140 OD2 ASP A 63 7.353 -4.497 -7.863 1.00 0.00 O ATOM 0 H ASP A 63 7.549 -4.588 -3.977 1.00 0.00 H new ATOM 0 HA ASP A 63 7.768 -2.216 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.257 -4.713 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.195 -3.336 -5.829 1.00 0.00 H new ATOM 1145 N PHE A 64 5.976 -2.426 -2.949 1.00 0.00 N ATOM 1146 CA PHE A 64 5.191 -1.682 -1.979 1.00 0.00 C ATOM 1147 C PHE A 64 6.077 -0.682 -1.237 1.00 0.00 C ATOM 1148 O PHE A 64 5.635 0.407 -0.872 1.00 0.00 O ATOM 1149 CB PHE A 64 4.531 -2.664 -0.995 1.00 0.00 C ATOM 1150 CG PHE A 64 4.574 -2.231 0.442 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.611 -1.379 0.954 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.581 -2.680 1.279 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.649 -0.981 2.276 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.626 -2.287 2.604 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.658 -1.436 3.102 1.00 0.00 C ATOM 0 H PHE A 64 6.259 -3.354 -2.634 1.00 0.00 H new ATOM 0 HA PHE A 64 4.411 -1.122 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.491 -2.807 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.023 -3.633 -1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.820 -1.021 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.340 -3.345 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.891 -0.316 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.416 -2.644 3.248 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.690 -1.127 4.136 1.00 0.00 H new ATOM 1165 N GLN A 65 7.330 -1.069 -1.019 1.00 0.00 N ATOM 1166 CA GLN A 65 8.284 -0.217 -0.321 1.00 0.00 C ATOM 1167 C GLN A 65 8.923 0.788 -1.273 1.00 0.00 C ATOM 1168 O GLN A 65 9.346 1.868 -0.859 1.00 0.00 O ATOM 1169 CB GLN A 65 9.369 -1.073 0.338 1.00 0.00 C ATOM 1170 CG GLN A 65 8.848 -1.951 1.464 1.00 0.00 C ATOM 1171 CD GLN A 65 9.720 -1.891 2.702 1.00 0.00 C ATOM 1172 OE1 GLN A 65 10.147 -0.818 3.124 1.00 0.00 O ATOM 1173 NE2 GLN A 65 9.989 -3.050 3.292 1.00 0.00 N ATOM 0 H GLN A 65 7.708 -1.969 -1.316 1.00 0.00 H new ATOM 0 HA GLN A 65 7.744 0.336 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.832 -1.705 -0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.149 -0.419 0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.835 -1.641 1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.787 -2.982 1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.614 -3.917 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.571 -3.073 4.129 1.00 0.00 H new ATOM 1182 N ARG A 66 8.997 0.427 -2.551 1.00 0.00 N ATOM 1183 CA ARG A 66 9.589 1.300 -3.556 1.00 0.00 C ATOM 1184 C ARG A 66 8.850 2.631 -3.638 1.00 0.00 C ATOM 1185 O ARG A 66 9.471 3.687 -3.754 1.00 0.00 O ATOM 1186 CB ARG A 66 9.588 0.617 -4.925 1.00 0.00 C ATOM 1187 CG ARG A 66 10.973 0.192 -5.386 1.00 0.00 C ATOM 1188 CD ARG A 66 11.208 0.535 -6.849 1.00 0.00 C ATOM 1189 NE ARG A 66 12.561 0.195 -7.280 1.00 0.00 N ATOM 1190 CZ ARG A 66 13.650 0.855 -6.896 1.00 0.00 C ATOM 1191 NH1 ARG A 66 13.549 1.893 -6.076 1.00 0.00 N ATOM 1192 NH2 ARG A 66 14.843 0.477 -7.335 1.00 0.00 N ATOM 0 H ARG A 66 8.655 -0.463 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 66 10.618 1.499 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.941 -0.259 -4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.160 1.296 -5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.728 0.683 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.092 -0.882 -5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.486 0.001 -7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.035 1.600 -7.004 1.00 0.00 H new ATOM 0 HE ARG A 66 12.678 -0.596 -7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.633 2.188 -5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.387 2.396 -5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.925 -0.320 -7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.678 0.983 -7.041 1.00 0.00 H new ATOM 1206 N GLU A 67 7.522 2.578 -3.579 1.00 0.00 N ATOM 1207 CA GLU A 67 6.717 3.789 -3.650 1.00 0.00 C ATOM 1208 C GLU A 67 6.526 4.398 -2.265 1.00 0.00 C ATOM 1209 O GLU A 67 6.709 5.599 -2.079 1.00 0.00 O ATOM 1210 CB GLU A 67 5.360 3.494 -4.293 1.00 0.00 C ATOM 1211 CG GLU A 67 4.494 2.539 -3.489 1.00 0.00 C ATOM 1212 CD GLU A 67 3.488 1.802 -4.351 1.00 0.00 C ATOM 1213 OE1 GLU A 67 3.178 2.296 -5.456 1.00 0.00 O ATOM 1214 OE2 GLU A 67 3.009 0.733 -3.921 1.00 0.00 O ATOM 0 H GLU A 67 6.986 1.716 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 67 7.247 4.511 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.821 4.432 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.523 3.074 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.132 1.815 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.966 3.096 -2.716 1.00 0.00 H new ATOM 1221 N LYS A 68 6.162 3.564 -1.294 1.00 0.00 N ATOM 1222 CA LYS A 68 5.952 4.031 0.074 1.00 0.00 C ATOM 1223 C LYS A 68 7.181 4.759 0.602 1.00 0.00 C ATOM 1224 O LYS A 68 7.087 5.578 1.516 1.00 0.00 O ATOM 1225 CB LYS A 68 5.601 2.859 0.992 1.00 0.00 C ATOM 1226 CG LYS A 68 5.352 3.272 2.434 1.00 0.00 C ATOM 1227 CD LYS A 68 4.499 2.250 3.169 1.00 0.00 C ATOM 1228 CE LYS A 68 3.081 2.756 3.384 1.00 0.00 C ATOM 1229 NZ LYS A 68 2.190 2.413 2.241 1.00 0.00 N ATOM 0 H LYS A 68 6.007 2.565 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 68 5.119 4.733 0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.712 2.359 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.412 2.131 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.305 3.389 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.857 4.243 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.472 1.321 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.954 2.021 4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.677 2.326 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.098 3.837 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.327 2.991 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.685 2.602 1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.935 1.406 2.290 1.00 0.00 H new