USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.19 K(o=1.2,f=-0.095) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 24:sc= 0.833 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0035 USER MOD Single : A 48 SER OG : rot 180:sc= -1.37 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.23 K(o=1.2,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= 0.98 (180deg=0.794) USER MOD Single : A 55 SER OG : rot -30:sc= 0.116 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= -0.0459 (180deg=-0.231) USER MOD Single : A 59 SER OG : rot 92:sc= 0.33 USER MOD Single : A 64 CYS SG : rot 43:sc= 1.24 USER MOD Single : A 68 THR OG1 : rot 78:sc= 1.16 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -135:sc= 1.3 (180deg=0.465) USER MOD Single : A 75 THR OG1 : rot -78:sc= 0.892 USER MOD Single : A 77 ASN : amide:sc=-0.00856 X(o=-0.0086,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 85:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.172 6.080 0.659 1.00 0.00 N ATOM 201 CA LYS A 27 7.515 6.988 -0.276 1.00 0.00 C ATOM 202 C LYS A 27 6.308 6.321 -0.930 1.00 0.00 C ATOM 203 O LYS A 27 5.273 6.957 -1.123 1.00 0.00 O ATOM 204 CB LYS A 27 8.501 7.497 -1.337 1.00 0.00 C ATOM 205 CG LYS A 27 9.081 6.414 -2.230 1.00 0.00 C ATOM 206 CD LYS A 27 10.150 6.964 -3.160 1.00 0.00 C ATOM 207 CE LYS A 27 11.270 7.644 -2.386 1.00 0.00 C ATOM 208 NZ LYS A 27 12.415 8.006 -3.259 1.00 0.00 N ATOM 0 HA LYS A 27 7.158 7.848 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.995 8.233 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.319 8.014 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.508 5.623 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.283 5.963 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.562 6.153 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.700 7.676 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.884 8.543 -1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.615 6.981 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.154 8.466 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.802 7.146 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.093 8.659 -4.001 1.00 0.00 H new ATOM 222 N ARG A 28 6.425 5.037 -1.240 1.00 0.00 N ATOM 223 CA ARG A 28 5.313 4.303 -1.826 1.00 0.00 C ATOM 224 C ARG A 28 4.205 4.118 -0.798 1.00 0.00 C ATOM 225 O ARG A 28 3.021 4.240 -1.115 1.00 0.00 O ATOM 226 CB ARG A 28 5.772 2.951 -2.369 1.00 0.00 C ATOM 227 CG ARG A 28 6.781 3.068 -3.495 1.00 0.00 C ATOM 228 CD ARG A 28 6.982 1.746 -4.217 1.00 0.00 C ATOM 229 NE ARG A 28 7.521 0.699 -3.350 1.00 0.00 N ATOM 230 CZ ARG A 28 8.811 0.367 -3.296 1.00 0.00 C ATOM 231 NH1 ARG A 28 9.721 1.094 -3.936 1.00 0.00 N ATOM 232 NH2 ARG A 28 9.192 -0.681 -2.581 1.00 0.00 N ATOM 0 H ARG A 28 7.271 4.486 -1.097 1.00 0.00 H new ATOM 0 HA ARG A 28 4.923 4.884 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.210 2.371 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.904 2.396 -2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.445 3.822 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.735 3.411 -3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.029 1.414 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.658 1.897 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 28 6.870 0.192 -2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.434 1.912 -4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.706 0.834 -3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.499 -1.231 -2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.178 -0.938 -2.538 1.00 0.00 H new ATOM 246 N VAL A 29 4.603 3.846 0.439 1.00 0.00 N ATOM 247 CA VAL A 29 3.660 3.755 1.543 1.00 0.00 C ATOM 248 C VAL A 29 2.972 5.099 1.757 1.00 0.00 C ATOM 249 O VAL A 29 1.760 5.158 1.916 1.00 0.00 O ATOM 250 CB VAL A 29 4.357 3.306 2.849 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.403 3.360 4.033 1.00 0.00 C ATOM 252 CG2 VAL A 29 4.918 1.903 2.693 1.00 0.00 C ATOM 0 H VAL A 29 5.575 3.685 0.701 1.00 0.00 H new ATOM 0 HA VAL A 29 2.915 3.003 1.283 1.00 0.00 H new ATOM 0 HB VAL A 29 5.176 3.998 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.924 3.038 4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.045 4.381 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.556 2.699 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.405 1.601 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.108 1.210 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.644 1.890 1.880 1.00 0.00 H new ATOM 262 N SER A 30 3.752 6.177 1.711 1.00 0.00 N ATOM 263 CA SER A 30 3.225 7.524 1.908 1.00 0.00 C ATOM 264 C SER A 30 2.133 7.833 0.885 1.00 0.00 C ATOM 265 O SER A 30 1.062 8.327 1.238 1.00 0.00 O ATOM 266 CB SER A 30 4.351 8.560 1.802 1.00 0.00 C ATOM 267 OG SER A 30 5.384 8.303 2.744 1.00 0.00 O ATOM 0 H SER A 30 4.757 6.142 1.538 1.00 0.00 H new ATOM 0 HA SER A 30 2.790 7.575 2.906 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.765 8.548 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.946 9.558 1.968 1.00 0.00 H new ATOM 0 HG SER A 30 6.087 8.979 2.651 1.00 0.00 H new ATOM 273 N ASN A 31 2.400 7.505 -0.376 1.00 0.00 N ATOM 274 CA ASN A 31 1.430 7.711 -1.448 1.00 0.00 C ATOM 275 C ASN A 31 0.167 6.898 -1.202 1.00 0.00 C ATOM 276 O ASN A 31 -0.941 7.345 -1.488 1.00 0.00 O ATOM 277 CB ASN A 31 2.026 7.323 -2.804 1.00 0.00 C ATOM 278 CG ASN A 31 2.878 8.416 -3.415 1.00 0.00 C ATOM 279 OD1 ASN A 31 2.380 9.262 -4.158 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.166 8.404 -3.122 1.00 0.00 N ATOM 0 H ASN A 31 3.282 7.094 -0.681 1.00 0.00 H new ATOM 0 HA ASN A 31 1.175 8.771 -1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.631 6.424 -2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.217 7.074 -3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.785 9.113 -3.516 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.541 7.686 -2.502 1.00 0.00 H new ATOM 287 N ALA A 32 0.343 5.699 -0.678 1.00 0.00 N ATOM 288 CA ALA A 32 -0.771 4.815 -0.389 1.00 0.00 C ATOM 289 C ALA A 32 -1.566 5.297 0.814 1.00 0.00 C ATOM 290 O ALA A 32 -2.788 5.321 0.777 1.00 0.00 O ATOM 291 CB ALA A 32 -0.273 3.401 -0.180 1.00 0.00 C ATOM 0 H ALA A 32 1.257 5.312 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.444 4.824 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.117 2.746 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.232 3.056 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.425 3.381 0.657 1.00 0.00 H new ATOM 297 N VAL A 33 -0.870 5.698 1.869 1.00 0.00 N ATOM 298 CA VAL A 33 -1.526 6.173 3.082 1.00 0.00 C ATOM 299 C VAL A 33 -2.371 7.406 2.780 1.00 0.00 C ATOM 300 O VAL A 33 -3.507 7.523 3.236 1.00 0.00 O ATOM 301 CB VAL A 33 -0.499 6.507 4.190 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.186 7.013 5.450 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.349 5.290 4.512 1.00 0.00 C ATOM 0 H VAL A 33 0.149 5.704 1.911 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.169 5.370 3.442 1.00 0.00 H new ATOM 0 HB VAL A 33 0.146 7.301 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.436 7.238 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.751 7.916 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.864 6.248 5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.066 5.543 5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.293 4.480 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.884 4.972 3.617 1.00 0.00 H new ATOM 313 N GLU A 34 -1.815 8.315 1.992 1.00 0.00 N ATOM 314 CA GLU A 34 -2.525 9.525 1.619 1.00 0.00 C ATOM 315 C GLU A 34 -3.693 9.203 0.679 1.00 0.00 C ATOM 316 O GLU A 34 -4.751 9.827 0.758 1.00 0.00 O ATOM 317 CB GLU A 34 -1.560 10.536 0.986 1.00 0.00 C ATOM 318 CG GLU A 34 -1.080 10.174 -0.405 1.00 0.00 C ATOM 319 CD GLU A 34 -0.135 11.209 -0.972 1.00 0.00 C ATOM 320 OE1 GLU A 34 1.042 11.240 -0.556 1.00 0.00 O ATOM 321 OE2 GLU A 34 -0.566 12.003 -1.833 1.00 0.00 O ATOM 0 H GLU A 34 -0.876 8.236 1.600 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.943 9.976 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.051 11.508 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.693 10.645 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.580 9.206 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.939 10.068 -1.067 1.00 0.00 H new ATOM 328 N PHE A 35 -3.501 8.220 -0.198 1.00 0.00 N ATOM 329 CA PHE A 35 -4.540 7.816 -1.141 1.00 0.00 C ATOM 330 C PHE A 35 -5.664 7.069 -0.429 1.00 0.00 C ATOM 331 O PHE A 35 -6.838 7.325 -0.668 1.00 0.00 O ATOM 332 CB PHE A 35 -3.938 6.935 -2.243 1.00 0.00 C ATOM 333 CG PHE A 35 -4.942 6.406 -3.232 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.379 5.093 -3.158 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.444 7.219 -4.235 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.297 4.601 -4.066 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.364 6.734 -5.145 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.790 5.423 -5.061 1.00 0.00 C ATOM 0 H PHE A 35 -2.634 7.688 -0.275 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.960 8.716 -1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.185 7.510 -2.781 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.425 6.093 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.998 4.447 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.112 8.244 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.629 3.575 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.749 7.379 -5.921 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.507 5.041 -5.772 1.00 0.00 H new ATOM 348 N LEU A 36 -5.290 6.169 0.468 1.00 0.00 N ATOM 349 CA LEU A 36 -6.254 5.365 1.207 1.00 0.00 C ATOM 350 C LEU A 36 -7.138 6.230 2.094 1.00 0.00 C ATOM 351 O LEU A 36 -8.300 5.903 2.336 1.00 0.00 O ATOM 352 CB LEU A 36 -5.533 4.308 2.040 1.00 0.00 C ATOM 353 CG LEU A 36 -4.897 3.169 1.245 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.150 2.230 2.175 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.951 2.412 0.455 1.00 0.00 C ATOM 0 H LEU A 36 -4.317 5.976 0.704 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.899 4.866 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.755 4.799 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.243 3.882 2.749 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.185 3.597 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.702 1.423 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.367 2.781 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.844 1.811 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.477 1.605 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.689 1.994 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.445 3.093 -0.239 1.00 0.00 H new ATOM 367 N LEU A 37 -6.588 7.336 2.576 1.00 0.00 N ATOM 368 CA LEU A 37 -7.325 8.230 3.455 1.00 0.00 C ATOM 369 C LEU A 37 -8.160 9.240 2.677 1.00 0.00 C ATOM 370 O LEU A 37 -8.757 10.143 3.265 1.00 0.00 O ATOM 371 CB LEU A 37 -6.368 8.961 4.394 1.00 0.00 C ATOM 372 CG LEU A 37 -6.115 8.257 5.725 1.00 0.00 C ATOM 373 CD1 LEU A 37 -5.141 9.055 6.573 1.00 0.00 C ATOM 374 CD2 LEU A 37 -7.427 8.057 6.464 1.00 0.00 C ATOM 0 H LEU A 37 -5.634 7.635 2.373 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.009 7.615 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.414 9.097 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.767 9.955 4.595 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.672 7.281 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.973 8.538 7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.195 9.157 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.555 10.044 6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.237 7.554 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.889 9.026 6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.097 7.447 5.858 1.00 0.00 H new ATOM 386 N ASP A 38 -8.219 9.084 1.366 1.00 0.00 N ATOM 387 CA ASP A 38 -9.038 9.964 0.550 1.00 0.00 C ATOM 388 C ASP A 38 -10.504 9.572 0.672 1.00 0.00 C ATOM 389 O ASP A 38 -10.837 8.385 0.699 1.00 0.00 O ATOM 390 CB ASP A 38 -8.610 9.928 -0.916 1.00 0.00 C ATOM 391 CG ASP A 38 -9.298 10.997 -1.745 1.00 0.00 C ATOM 392 OD1 ASP A 38 -10.402 10.733 -2.273 1.00 0.00 O ATOM 393 OD2 ASP A 38 -8.740 12.109 -1.875 1.00 0.00 O ATOM 0 H ASP A 38 -7.715 8.364 0.848 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.901 10.982 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.530 10.061 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.835 8.947 -1.334 1.00 0.00 H new ATOM 398 N SER A 39 -11.369 10.569 0.753 1.00 0.00 N ATOM 399 CA SER A 39 -12.792 10.347 0.967 1.00 0.00 C ATOM 400 C SER A 39 -13.403 9.463 -0.123 1.00 0.00 C ATOM 401 O SER A 39 -14.272 8.641 0.157 1.00 0.00 O ATOM 402 CB SER A 39 -13.517 11.689 1.030 1.00 0.00 C ATOM 403 OG SER A 39 -12.879 12.567 1.945 1.00 0.00 O ATOM 0 H SER A 39 -11.108 11.552 0.673 1.00 0.00 H new ATOM 0 HA SER A 39 -12.912 9.821 1.914 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.538 12.142 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.553 11.533 1.331 1.00 0.00 H new ATOM 0 HG SER A 39 -13.359 13.421 1.968 1.00 0.00 H new ATOM 409 N ARG A 40 -12.953 9.626 -1.361 1.00 0.00 N ATOM 410 CA ARG A 40 -13.454 8.803 -2.457 1.00 0.00 C ATOM 411 C ARG A 40 -12.974 7.366 -2.310 1.00 0.00 C ATOM 412 O ARG A 40 -13.715 6.419 -2.564 1.00 0.00 O ATOM 413 CB ARG A 40 -13.014 9.366 -3.808 1.00 0.00 C ATOM 414 CG ARG A 40 -13.565 10.751 -4.095 1.00 0.00 C ATOM 415 CD ARG A 40 -15.085 10.752 -4.115 1.00 0.00 C ATOM 416 NE ARG A 40 -15.622 12.098 -4.278 1.00 0.00 N ATOM 417 CZ ARG A 40 -16.908 12.370 -4.474 1.00 0.00 C ATOM 418 NH1 ARG A 40 -17.802 11.388 -4.549 1.00 0.00 N ATOM 419 NH2 ARG A 40 -17.300 13.632 -4.594 1.00 0.00 N ATOM 0 H ARG A 40 -12.249 10.313 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.543 8.816 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.925 9.403 -3.840 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.333 8.686 -4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.209 11.449 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.187 11.102 -5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -15.439 10.118 -4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.461 10.320 -3.188 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.969 12.881 -4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.502 10.417 -4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.787 11.606 -4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.616 14.386 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.285 13.848 -4.745 1.00 0.00 H new ATOM 433 N VAL A 41 -11.735 7.218 -1.870 1.00 0.00 N ATOM 434 CA VAL A 41 -11.111 5.911 -1.749 1.00 0.00 C ATOM 435 C VAL A 41 -11.662 5.147 -0.547 1.00 0.00 C ATOM 436 O VAL A 41 -11.813 3.926 -0.590 1.00 0.00 O ATOM 437 CB VAL A 41 -9.581 6.046 -1.640 1.00 0.00 C ATOM 438 CG1 VAL A 41 -8.916 4.682 -1.523 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.046 6.803 -2.842 1.00 0.00 C ATOM 0 H VAL A 41 -11.137 7.995 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.348 5.345 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.346 6.605 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.836 4.809 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.285 4.173 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.151 4.086 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.963 6.896 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.296 6.261 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.494 7.796 -2.876 1.00 0.00 H new ATOM 449 N ARG A 42 -11.982 5.864 0.517 1.00 0.00 N ATOM 450 CA ARG A 42 -12.587 5.240 1.688 1.00 0.00 C ATOM 451 C ARG A 42 -13.997 4.743 1.355 1.00 0.00 C ATOM 452 O ARG A 42 -14.527 3.855 2.021 1.00 0.00 O ATOM 453 CB ARG A 42 -12.614 6.210 2.877 1.00 0.00 C ATOM 454 CG ARG A 42 -13.641 7.318 2.758 1.00 0.00 C ATOM 455 CD ARG A 42 -13.560 8.274 3.937 1.00 0.00 C ATOM 456 NE ARG A 42 -14.561 9.336 3.855 1.00 0.00 N ATOM 457 CZ ARG A 42 -14.372 10.572 4.318 1.00 0.00 C ATOM 458 NH1 ARG A 42 -13.231 10.896 4.915 1.00 0.00 N ATOM 459 NH2 ARG A 42 -15.329 11.481 4.194 1.00 0.00 N ATOM 0 H ARG A 42 -11.836 6.870 0.597 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.977 4.383 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.812 5.644 3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.626 6.657 2.988 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.481 7.867 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.640 6.886 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.698 7.718 4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.565 8.717 3.976 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.457 9.119 3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.495 10.198 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.091 11.843 5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.211 11.235 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.184 12.426 4.549 1.00 0.00 H new ATOM 473 N ARG A 43 -14.589 5.311 0.306 1.00 0.00 N ATOM 474 CA ARG A 43 -15.933 4.932 -0.121 1.00 0.00 C ATOM 475 C ARG A 43 -15.903 3.780 -1.121 1.00 0.00 C ATOM 476 O ARG A 43 -16.948 3.254 -1.502 1.00 0.00 O ATOM 477 CB ARG A 43 -16.652 6.132 -0.738 1.00 0.00 C ATOM 478 CG ARG A 43 -16.994 7.215 0.269 1.00 0.00 C ATOM 479 CD ARG A 43 -17.581 8.443 -0.406 1.00 0.00 C ATOM 480 NE ARG A 43 -18.869 8.172 -1.043 1.00 0.00 N ATOM 481 CZ ARG A 43 -19.662 9.120 -1.539 1.00 0.00 C ATOM 482 NH1 ARG A 43 -19.286 10.392 -1.490 1.00 0.00 N ATOM 483 NH2 ARG A 43 -20.827 8.797 -2.087 1.00 0.00 N ATOM 0 H ARG A 43 -14.157 6.037 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.475 4.598 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.024 6.559 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.569 5.789 -1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.705 6.824 0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -16.097 7.496 0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.704 9.235 0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.880 8.812 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 43 -19.177 7.202 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.390 10.643 -1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.893 11.118 -1.870 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -21.117 7.820 -2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -21.432 9.526 -2.466 1.00 0.00 H new ATOM 497 N THR A 44 -14.713 3.397 -1.562 1.00 0.00 N ATOM 498 CA THR A 44 -14.576 2.268 -2.462 1.00 0.00 C ATOM 499 C THR A 44 -14.222 0.998 -1.696 1.00 0.00 C ATOM 500 O THR A 44 -13.724 1.068 -0.573 1.00 0.00 O ATOM 501 CB THR A 44 -13.513 2.529 -3.546 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.366 3.183 -2.994 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.085 3.361 -4.682 1.00 0.00 C ATOM 0 H THR A 44 -13.835 3.851 -1.311 1.00 0.00 H new ATOM 0 HA THR A 44 -15.541 2.134 -2.951 1.00 0.00 H new ATOM 0 HB THR A 44 -13.206 1.561 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.313 2.996 -2.034 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.314 3.530 -5.433 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.923 2.831 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.430 4.319 -4.293 1.00 0.00 H new ATOM 511 N PRO A 45 -14.491 -0.178 -2.286 1.00 0.00 N ATOM 512 CA PRO A 45 -14.133 -1.467 -1.684 1.00 0.00 C ATOM 513 C PRO A 45 -12.624 -1.619 -1.517 1.00 0.00 C ATOM 514 O PRO A 45 -11.839 -1.004 -2.246 1.00 0.00 O ATOM 515 CB PRO A 45 -14.661 -2.498 -2.687 1.00 0.00 C ATOM 516 CG PRO A 45 -14.801 -1.750 -3.966 1.00 0.00 C ATOM 517 CD PRO A 45 -15.176 -0.352 -3.576 1.00 0.00 C ATOM 0 HA PRO A 45 -14.552 -1.578 -0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.972 -3.336 -2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.617 -2.910 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.869 -1.763 -4.532 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.565 -2.198 -4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.841 0.377 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.255 -0.235 -3.480 1.00 0.00 H new ATOM 525 N THR A 46 -12.227 -2.448 -0.564 1.00 0.00 N ATOM 526 CA THR A 46 -10.821 -2.669 -0.269 1.00 0.00 C ATOM 527 C THR A 46 -10.091 -3.225 -1.488 1.00 0.00 C ATOM 528 O THR A 46 -8.939 -2.880 -1.743 1.00 0.00 O ATOM 529 CB THR A 46 -10.662 -3.653 0.898 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.735 -3.470 1.833 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.335 -3.444 1.609 1.00 0.00 C ATOM 0 H THR A 46 -12.866 -2.983 0.023 1.00 0.00 H new ATOM 0 HA THR A 46 -10.387 -1.707 0.003 1.00 0.00 H new ATOM 0 HB THR A 46 -10.686 -4.666 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.632 -4.100 2.576 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.247 -4.154 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.517 -3.601 0.906 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.288 -2.428 2.000 1.00 0.00 H new ATOM 539 N SER A 47 -10.786 -4.063 -2.253 1.00 0.00 N ATOM 540 CA SER A 47 -10.210 -4.687 -3.436 1.00 0.00 C ATOM 541 C SER A 47 -9.727 -3.630 -4.425 1.00 0.00 C ATOM 542 O SER A 47 -8.632 -3.737 -4.979 1.00 0.00 O ATOM 543 CB SER A 47 -11.254 -5.586 -4.094 1.00 0.00 C ATOM 544 OG SER A 47 -11.880 -6.420 -3.131 1.00 0.00 O ATOM 0 H SER A 47 -11.755 -4.325 -2.071 1.00 0.00 H new ATOM 0 HA SER A 47 -9.351 -5.287 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.004 -4.974 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.781 -6.200 -4.861 1.00 0.00 H new ATOM 0 HG SER A 47 -12.546 -6.987 -3.573 1.00 0.00 H new ATOM 550 N SER A 48 -10.537 -2.596 -4.613 1.00 0.00 N ATOM 551 CA SER A 48 -10.196 -1.502 -5.495 1.00 0.00 C ATOM 552 C SER A 48 -8.958 -0.767 -4.995 1.00 0.00 C ATOM 553 O SER A 48 -8.039 -0.479 -5.764 1.00 0.00 O ATOM 554 CB SER A 48 -11.373 -0.543 -5.574 1.00 0.00 C ATOM 555 OG SER A 48 -12.515 -1.178 -6.125 1.00 0.00 O ATOM 0 H SER A 48 -11.444 -2.498 -4.157 1.00 0.00 H new ATOM 0 HA SER A 48 -9.975 -1.900 -6.485 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.607 -0.168 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.103 0.319 -6.184 1.00 0.00 H new ATOM 0 HG SER A 48 -13.258 -0.540 -6.163 1.00 0.00 H new ATOM 561 N LYS A 49 -8.941 -0.487 -3.696 1.00 0.00 N ATOM 562 CA LYS A 49 -7.824 0.206 -3.067 1.00 0.00 C ATOM 563 C LYS A 49 -6.531 -0.564 -3.298 1.00 0.00 C ATOM 564 O LYS A 49 -5.530 -0.006 -3.748 1.00 0.00 O ATOM 565 CB LYS A 49 -8.059 0.334 -1.563 1.00 0.00 C ATOM 566 CG LYS A 49 -9.402 0.932 -1.185 1.00 0.00 C ATOM 567 CD LYS A 49 -9.572 0.976 0.326 1.00 0.00 C ATOM 568 CE LYS A 49 -11.008 1.267 0.713 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.194 1.331 2.190 1.00 0.00 N ATOM 0 H LYS A 49 -9.695 -0.732 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.745 1.199 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.975 -0.654 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.268 0.950 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.484 1.939 -1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.205 0.342 -1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.264 0.023 0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.919 1.741 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.317 2.213 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.657 0.494 0.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.191 1.532 2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.925 0.420 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.596 2.086 2.583 1.00 0.00 H new ATOM 583 N VAL A 50 -6.580 -1.859 -3.007 1.00 0.00 N ATOM 584 CA VAL A 50 -5.400 -2.713 -3.105 1.00 0.00 C ATOM 585 C VAL A 50 -4.915 -2.809 -4.549 1.00 0.00 C ATOM 586 O VAL A 50 -3.718 -2.710 -4.821 1.00 0.00 O ATOM 587 CB VAL A 50 -5.676 -4.133 -2.559 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.443 -5.016 -2.689 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.131 -4.076 -1.109 1.00 0.00 C ATOM 0 H VAL A 50 -7.425 -2.342 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.623 -2.253 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.476 -4.569 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.664 -6.009 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.160 -5.094 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.621 -4.578 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.319 -5.087 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.354 -3.612 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.047 -3.489 -1.038 1.00 0.00 H new ATOM 599 N HIS A 51 -5.855 -2.979 -5.472 1.00 0.00 N ATOM 600 CA HIS A 51 -5.521 -3.108 -6.886 1.00 0.00 C ATOM 601 C HIS A 51 -4.897 -1.825 -7.421 1.00 0.00 C ATOM 602 O HIS A 51 -3.971 -1.866 -8.233 1.00 0.00 O ATOM 603 CB HIS A 51 -6.762 -3.468 -7.712 1.00 0.00 C ATOM 604 CG HIS A 51 -7.198 -4.897 -7.568 1.00 0.00 C ATOM 605 ND1 HIS A 51 -8.094 -5.499 -8.423 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.857 -5.845 -6.662 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.284 -6.750 -8.052 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.545 -6.986 -6.986 1.00 0.00 N ATOM 0 H HIS A 51 -6.853 -3.031 -5.267 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.793 -3.914 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.584 -2.816 -7.416 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.557 -3.266 -8.763 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.170 -5.724 -5.837 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.935 -7.461 -8.539 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.493 -7.873 -6.484 1.00 0.00 H new ATOM 617 N PHE A 52 -5.394 -0.686 -6.954 1.00 0.00 N ATOM 618 CA PHE A 52 -4.879 0.601 -7.400 1.00 0.00 C ATOM 619 C PHE A 52 -3.469 0.823 -6.865 1.00 0.00 C ATOM 620 O PHE A 52 -2.587 1.281 -7.590 1.00 0.00 O ATOM 621 CB PHE A 52 -5.800 1.739 -6.948 1.00 0.00 C ATOM 622 CG PHE A 52 -5.519 3.049 -7.632 1.00 0.00 C ATOM 623 CD1 PHE A 52 -6.224 3.415 -8.766 1.00 0.00 C ATOM 624 CD2 PHE A 52 -4.551 3.915 -7.143 1.00 0.00 C ATOM 625 CE1 PHE A 52 -5.971 4.617 -9.400 1.00 0.00 C ATOM 626 CE2 PHE A 52 -4.295 5.117 -7.772 1.00 0.00 C ATOM 627 CZ PHE A 52 -5.005 5.469 -8.902 1.00 0.00 C ATOM 0 H PHE A 52 -6.149 -0.628 -6.270 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.845 0.596 -8.489 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.835 1.454 -7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.698 1.872 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.981 2.753 -9.160 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.991 3.645 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.528 4.890 -10.284 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.539 5.782 -7.380 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.806 6.409 -9.396 1.00 0.00 H new ATOM 637 N LEU A 53 -3.257 0.482 -5.598 1.00 0.00 N ATOM 638 CA LEU A 53 -1.950 0.644 -4.972 1.00 0.00 C ATOM 639 C LEU A 53 -0.919 -0.255 -5.640 1.00 0.00 C ATOM 640 O LEU A 53 0.227 0.147 -5.844 1.00 0.00 O ATOM 641 CB LEU A 53 -2.022 0.337 -3.476 1.00 0.00 C ATOM 642 CG LEU A 53 -2.924 1.262 -2.660 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.831 0.925 -1.183 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.558 2.718 -2.902 1.00 0.00 C ATOM 0 H LEU A 53 -3.973 0.092 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.644 1.682 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.371 -0.688 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.014 0.384 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.954 1.112 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.479 1.593 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.145 -0.107 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.801 1.046 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.212 3.360 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.522 2.886 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.678 2.952 -3.960 1.00 0.00 H new ATOM 656 N LYS A 54 -1.328 -1.467 -5.988 1.00 0.00 N ATOM 657 CA LYS A 54 -0.456 -2.380 -6.699 1.00 0.00 C ATOM 658 C LYS A 54 -0.108 -1.811 -8.072 1.00 0.00 C ATOM 659 O LYS A 54 1.035 -1.891 -8.519 1.00 0.00 O ATOM 660 CB LYS A 54 -1.115 -3.753 -6.844 1.00 0.00 C ATOM 661 CG LYS A 54 -0.230 -4.772 -7.539 1.00 0.00 C ATOM 662 CD LYS A 54 1.045 -5.021 -6.753 1.00 0.00 C ATOM 663 CE LYS A 54 2.163 -5.493 -7.658 1.00 0.00 C ATOM 664 NZ LYS A 54 3.450 -5.629 -6.929 1.00 0.00 N ATOM 0 H LYS A 54 -2.257 -1.837 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 54 0.462 -2.500 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.381 -4.127 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.043 -3.646 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.775 -5.708 -7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.020 -4.418 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.347 -4.105 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.859 -5.767 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.892 -6.453 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.285 -4.789 -8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.233 -5.669 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.581 -4.811 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.438 -6.502 -6.364 1.00 0.00 H new ATOM 678 N SER A 55 -1.100 -1.205 -8.718 1.00 0.00 N ATOM 679 CA SER A 55 -0.908 -0.595 -10.026 1.00 0.00 C ATOM 680 C SER A 55 -0.033 0.654 -9.917 1.00 0.00 C ATOM 681 O SER A 55 0.461 1.168 -10.920 1.00 0.00 O ATOM 682 CB SER A 55 -2.264 -0.247 -10.649 1.00 0.00 C ATOM 683 OG SER A 55 -2.124 0.161 -12.003 1.00 0.00 O ATOM 0 H SER A 55 -2.049 -1.124 -8.353 1.00 0.00 H new ATOM 0 HA SER A 55 -0.399 -1.311 -10.671 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.924 -1.113 -10.595 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.736 0.550 -10.074 1.00 0.00 H new ATOM 0 HG SER A 55 -1.251 0.589 -12.127 1.00 0.00 H new ATOM 689 N LYS A 56 0.151 1.141 -8.695 1.00 0.00 N ATOM 690 CA LYS A 56 1.019 2.279 -8.442 1.00 0.00 C ATOM 691 C LYS A 56 2.470 1.834 -8.312 1.00 0.00 C ATOM 692 O LYS A 56 3.366 2.656 -8.111 1.00 0.00 O ATOM 693 CB LYS A 56 0.591 3.004 -7.170 1.00 0.00 C ATOM 694 CG LYS A 56 -0.662 3.848 -7.327 1.00 0.00 C ATOM 695 CD LYS A 56 -0.958 4.651 -6.066 1.00 0.00 C ATOM 696 CE LYS A 56 0.164 5.630 -5.741 1.00 0.00 C ATOM 697 NZ LYS A 56 0.419 6.577 -6.859 1.00 0.00 N ATOM 0 H LYS A 56 -0.294 0.760 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 56 0.934 2.960 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.424 2.268 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.408 3.645 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.541 4.527 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.510 3.203 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.892 5.198 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.101 3.970 -5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.093 6.191 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.076 5.076 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.037 7.345 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.881 6.073 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.483 6.976 -7.188 1.00 0.00 H new ATOM 711 N GLY A 57 2.693 0.533 -8.412 1.00 0.00 N ATOM 712 CA GLY A 57 4.036 0.002 -8.330 1.00 0.00 C ATOM 713 C GLY A 57 4.428 -0.373 -6.919 1.00 0.00 C ATOM 714 O GLY A 57 5.614 -0.516 -6.616 1.00 0.00 O ATOM 0 H GLY A 57 1.964 -0.167 -8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.115 -0.876 -8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.739 0.741 -8.714 1.00 0.00 H new ATOM 718 N LEU A 58 3.438 -0.524 -6.052 1.00 0.00 N ATOM 719 CA LEU A 58 3.691 -0.930 -4.677 1.00 0.00 C ATOM 720 C LEU A 58 3.831 -2.436 -4.571 1.00 0.00 C ATOM 721 O LEU A 58 3.373 -3.184 -5.438 1.00 0.00 O ATOM 722 CB LEU A 58 2.569 -0.472 -3.743 1.00 0.00 C ATOM 723 CG LEU A 58 2.763 0.896 -3.090 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.579 2.017 -4.100 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.809 1.049 -1.920 1.00 0.00 C ATOM 0 H LEU A 58 2.454 -0.372 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 58 4.624 -0.455 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.637 -0.455 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.451 -1.216 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 58 3.785 0.962 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.723 2.978 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.309 1.908 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.573 1.970 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.952 2.026 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.782 0.962 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.006 0.269 -1.185 1.00 0.00 H new ATOM 737 N SER A 59 4.470 -2.871 -3.505 1.00 0.00 N ATOM 738 CA SER A 59 4.558 -4.279 -3.192 1.00 0.00 C ATOM 739 C SER A 59 3.536 -4.609 -2.116 1.00 0.00 C ATOM 740 O SER A 59 3.004 -3.703 -1.471 1.00 0.00 O ATOM 741 CB SER A 59 5.963 -4.606 -2.708 1.00 0.00 C ATOM 742 OG SER A 59 6.938 -4.120 -3.617 1.00 0.00 O ATOM 0 H SER A 59 4.940 -2.261 -2.836 1.00 0.00 H new ATOM 0 HA SER A 59 4.349 -4.875 -4.081 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.125 -4.165 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.071 -5.685 -2.595 1.00 0.00 H new ATOM 0 HG SER A 59 7.211 -3.217 -3.352 1.00 0.00 H new ATOM 748 N ALA A 60 3.264 -5.892 -1.919 1.00 0.00 N ATOM 749 CA ALA A 60 2.302 -6.324 -0.914 1.00 0.00 C ATOM 750 C ALA A 60 2.703 -5.825 0.470 1.00 0.00 C ATOM 751 O ALA A 60 1.850 -5.494 1.295 1.00 0.00 O ATOM 752 CB ALA A 60 2.170 -7.839 -0.920 1.00 0.00 C ATOM 0 H ALA A 60 3.697 -6.653 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 60 1.332 -5.892 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.447 -8.144 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.830 -8.171 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.138 -8.289 -0.700 1.00 0.00 H new ATOM 758 N GLU A 61 4.010 -5.766 0.709 1.00 0.00 N ATOM 759 CA GLU A 61 4.544 -5.257 1.967 1.00 0.00 C ATOM 760 C GLU A 61 4.115 -3.809 2.195 1.00 0.00 C ATOM 761 O GLU A 61 3.611 -3.463 3.267 1.00 0.00 O ATOM 762 CB GLU A 61 6.068 -5.331 1.967 1.00 0.00 C ATOM 763 CG GLU A 61 6.628 -6.718 1.697 1.00 0.00 C ATOM 764 CD GLU A 61 8.141 -6.721 1.634 1.00 0.00 C ATOM 765 OE1 GLU A 61 8.782 -7.197 2.593 1.00 0.00 O ATOM 766 OE2 GLU A 61 8.701 -6.227 0.630 1.00 0.00 O ATOM 0 H GLU A 61 4.722 -6.066 0.043 1.00 0.00 H new ATOM 0 HA GLU A 61 4.148 -5.877 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.453 -4.644 1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.437 -4.985 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.297 -7.400 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.226 -7.094 0.756 1.00 0.00 H new ATOM 773 N GLU A 62 4.310 -2.971 1.177 1.00 0.00 N ATOM 774 CA GLU A 62 3.954 -1.560 1.264 1.00 0.00 C ATOM 775 C GLU A 62 2.453 -1.389 1.444 1.00 0.00 C ATOM 776 O GLU A 62 2.006 -0.587 2.261 1.00 0.00 O ATOM 777 CB GLU A 62 4.412 -0.784 0.024 1.00 0.00 C ATOM 778 CG GLU A 62 5.915 -0.571 -0.062 1.00 0.00 C ATOM 779 CD GLU A 62 6.651 -1.754 -0.648 1.00 0.00 C ATOM 780 OE1 GLU A 62 6.822 -1.788 -1.883 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.072 -2.643 0.116 1.00 0.00 O ATOM 0 H GLU A 62 4.713 -3.248 0.282 1.00 0.00 H new ATOM 0 HA GLU A 62 4.469 -1.155 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.081 -1.318 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.918 0.188 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.116 0.311 -0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.304 -0.367 0.935 1.00 0.00 H new ATOM 788 N ILE A 63 1.683 -2.153 0.681 1.00 0.00 N ATOM 789 CA ILE A 63 0.230 -2.093 0.754 1.00 0.00 C ATOM 790 C ILE A 63 -0.257 -2.467 2.154 1.00 0.00 C ATOM 791 O ILE A 63 -1.108 -1.787 2.729 1.00 0.00 O ATOM 792 CB ILE A 63 -0.419 -3.030 -0.289 1.00 0.00 C ATOM 793 CG1 ILE A 63 0.041 -2.654 -1.701 1.00 0.00 C ATOM 794 CG2 ILE A 63 -1.937 -2.966 -0.193 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.421 -3.621 -2.770 1.00 0.00 C ATOM 0 H ILE A 63 2.042 -2.824 0.002 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.068 -1.068 0.535 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.103 -4.052 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.329 -1.657 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.130 -2.602 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.377 -3.632 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.252 -3.275 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.271 -1.945 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.057 -3.289 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.029 -4.615 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.510 -3.656 -2.783 1.00 0.00 H new ATOM 807 N CYS A 64 0.311 -3.534 2.703 1.00 0.00 N ATOM 808 CA CYS A 64 -0.052 -4.004 4.035 1.00 0.00 C ATOM 809 C CYS A 64 0.237 -2.933 5.082 1.00 0.00 C ATOM 810 O CYS A 64 -0.574 -2.683 5.981 1.00 0.00 O ATOM 811 CB CYS A 64 0.716 -5.288 4.364 1.00 0.00 C ATOM 812 SG CYS A 64 0.449 -5.916 6.039 1.00 0.00 S ATOM 0 H CYS A 64 1.029 -4.093 2.243 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.121 -4.216 4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.429 -6.060 3.650 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.781 -5.105 4.224 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.813 -5.830 6.339 1.00 0.00 H new ATOM 818 N GLU A 65 1.393 -2.299 4.959 1.00 0.00 N ATOM 819 CA GLU A 65 1.800 -1.269 5.888 1.00 0.00 C ATOM 820 C GLU A 65 0.932 -0.021 5.741 1.00 0.00 C ATOM 821 O GLU A 65 0.422 0.500 6.731 1.00 0.00 O ATOM 822 CB GLU A 65 3.276 -0.941 5.679 1.00 0.00 C ATOM 823 CG GLU A 65 3.741 0.279 6.445 1.00 0.00 C ATOM 824 CD GLU A 65 5.246 0.376 6.518 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.886 0.644 5.486 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.801 0.173 7.617 1.00 0.00 O ATOM 0 H GLU A 65 2.067 -2.486 4.217 1.00 0.00 H new ATOM 0 HA GLU A 65 1.664 -1.640 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.876 -1.799 5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.457 -0.783 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.345 1.176 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.333 0.247 7.455 1.00 0.00 H new ATOM 833 N ALA A 66 0.748 0.439 4.505 1.00 0.00 N ATOM 834 CA ALA A 66 -0.036 1.639 4.236 1.00 0.00 C ATOM 835 C ALA A 66 -1.453 1.511 4.769 1.00 0.00 C ATOM 836 O ALA A 66 -1.998 2.456 5.341 1.00 0.00 O ATOM 837 CB ALA A 66 -0.067 1.924 2.747 1.00 0.00 C ATOM 0 H ALA A 66 1.134 -0.005 3.672 1.00 0.00 H new ATOM 0 HA ALA A 66 0.444 2.470 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.656 2.822 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.950 2.075 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.518 1.080 2.224 1.00 0.00 H new ATOM 843 N PHE A 67 -2.046 0.338 4.585 1.00 0.00 N ATOM 844 CA PHE A 67 -3.375 0.076 5.108 1.00 0.00 C ATOM 845 C PHE A 67 -3.387 0.200 6.624 1.00 0.00 C ATOM 846 O PHE A 67 -4.270 0.832 7.197 1.00 0.00 O ATOM 847 CB PHE A 67 -3.865 -1.308 4.682 1.00 0.00 C ATOM 848 CG PHE A 67 -4.760 -1.271 3.479 1.00 0.00 C ATOM 849 CD1 PHE A 67 -6.111 -1.010 3.624 1.00 0.00 C ATOM 850 CD2 PHE A 67 -4.257 -1.494 2.209 1.00 0.00 C ATOM 851 CE1 PHE A 67 -6.946 -0.971 2.530 1.00 0.00 C ATOM 852 CE2 PHE A 67 -5.089 -1.456 1.106 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.437 -1.194 1.269 1.00 0.00 C ATOM 0 H PHE A 67 -1.627 -0.442 4.079 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.054 0.821 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.004 -1.941 4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.401 -1.768 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.516 -0.834 4.610 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.205 -1.700 2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.998 -0.766 2.660 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.687 -1.631 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.090 -1.164 0.409 1.00 0.00 H new ATOM 863 N THR A 68 -2.396 -0.384 7.271 1.00 0.00 N ATOM 864 CA THR A 68 -2.305 -0.320 8.719 1.00 0.00 C ATOM 865 C THR A 68 -2.081 1.126 9.174 1.00 0.00 C ATOM 866 O THR A 68 -2.597 1.554 10.208 1.00 0.00 O ATOM 867 CB THR A 68 -1.171 -1.224 9.235 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.293 -2.533 8.653 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.217 -1.333 10.750 1.00 0.00 C ATOM 0 H THR A 68 -1.645 -0.906 6.820 1.00 0.00 H new ATOM 0 HA THR A 68 -3.246 -0.678 9.137 1.00 0.00 H new ATOM 0 HB THR A 68 -0.217 -0.782 8.947 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.963 -2.513 7.731 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.407 -1.976 11.093 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.104 -0.342 11.190 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.173 -1.759 11.055 1.00 0.00 H new ATOM 877 N LYS A 69 -1.341 1.879 8.365 1.00 0.00 N ATOM 878 CA LYS A 69 -1.062 3.284 8.631 1.00 0.00 C ATOM 879 C LYS A 69 -2.334 4.129 8.630 1.00 0.00 C ATOM 880 O LYS A 69 -2.424 5.120 9.355 1.00 0.00 O ATOM 881 CB LYS A 69 -0.095 3.822 7.579 1.00 0.00 C ATOM 882 CG LYS A 69 1.317 3.279 7.706 1.00 0.00 C ATOM 883 CD LYS A 69 2.172 4.144 8.610 1.00 0.00 C ATOM 884 CE LYS A 69 2.520 5.460 7.940 1.00 0.00 C ATOM 885 NZ LYS A 69 3.448 6.281 8.764 1.00 0.00 N ATOM 0 H LYS A 69 -0.918 1.530 7.505 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.617 3.351 9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.479 3.579 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.063 4.909 7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.282 2.264 8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.775 3.221 6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.641 4.337 9.542 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.087 3.611 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.976 5.263 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.606 6.024 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.658 7.170 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.004 6.492 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.331 5.755 8.921 1.00 0.00 H new ATOM 899 N VAL A 70 -3.307 3.748 7.807 1.00 0.00 N ATOM 900 CA VAL A 70 -4.556 4.500 7.717 1.00 0.00 C ATOM 901 C VAL A 70 -5.606 3.953 8.680 1.00 0.00 C ATOM 902 O VAL A 70 -6.766 4.367 8.655 1.00 0.00 O ATOM 903 CB VAL A 70 -5.132 4.516 6.280 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.123 5.103 5.309 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.557 3.126 5.831 1.00 0.00 C ATOM 0 H VAL A 70 -3.257 2.931 7.198 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.313 5.525 7.997 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.021 5.147 6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.545 5.106 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.884 6.124 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.215 4.500 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.956 3.177 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.695 2.459 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.325 2.745 6.505 1.00 0.00 H new ATOM 915 N GLY A 71 -5.191 3.033 9.536 1.00 0.00 N ATOM 916 CA GLY A 71 -6.094 2.487 10.528 1.00 0.00 C ATOM 917 C GLY A 71 -6.847 1.272 10.030 1.00 0.00 C ATOM 918 O GLY A 71 -7.930 0.957 10.524 1.00 0.00 O ATOM 0 H GLY A 71 -4.244 2.654 9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.527 2.218 11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.808 3.255 10.825 1.00 0.00 H new ATOM 922 N GLN A 72 -6.289 0.594 9.044 1.00 0.00 N ATOM 923 CA GLN A 72 -6.885 -0.629 8.536 1.00 0.00 C ATOM 924 C GLN A 72 -5.849 -1.749 8.556 1.00 0.00 C ATOM 925 O GLN A 72 -5.104 -1.933 7.598 1.00 0.00 O ATOM 926 CB GLN A 72 -7.390 -0.409 7.107 1.00 0.00 C ATOM 927 CG GLN A 72 -8.115 -1.607 6.515 1.00 0.00 C ATOM 928 CD GLN A 72 -9.524 -1.753 7.043 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.755 -2.395 8.064 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.477 -1.170 6.334 1.00 0.00 N ATOM 0 H GLN A 72 -5.424 0.869 8.579 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.728 -0.908 9.168 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.062 0.450 7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.543 -0.158 6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.146 -1.508 5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.552 -2.514 6.737 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.238 -0.646 5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.450 -1.244 6.630 1.00 0.00 H new ATOM 939 N PRO A 73 -5.781 -2.513 9.648 1.00 0.00 N ATOM 940 CA PRO A 73 -4.804 -3.587 9.777 1.00 0.00 C ATOM 941 C PRO A 73 -5.146 -4.771 8.883 1.00 0.00 C ATOM 942 O PRO A 73 -6.057 -5.547 9.171 1.00 0.00 O ATOM 943 CB PRO A 73 -4.879 -3.976 11.250 1.00 0.00 C ATOM 944 CG PRO A 73 -6.247 -3.575 11.685 1.00 0.00 C ATOM 945 CD PRO A 73 -6.635 -2.387 10.844 1.00 0.00 C ATOM 0 HA PRO A 73 -3.806 -3.274 9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.720 -5.046 11.384 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.113 -3.464 11.833 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.953 -4.394 11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.257 -3.320 12.745 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.693 -2.408 10.585 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.454 -1.449 11.368 1.00 0.00 H new ATOM 953 N LYS A 74 -4.433 -4.877 7.779 1.00 0.00 N ATOM 954 CA LYS A 74 -4.642 -5.960 6.839 1.00 0.00 C ATOM 955 C LYS A 74 -3.483 -6.933 6.879 1.00 0.00 C ATOM 956 O LYS A 74 -2.322 -6.528 6.981 1.00 0.00 O ATOM 957 CB LYS A 74 -4.825 -5.421 5.419 1.00 0.00 C ATOM 958 CG LYS A 74 -6.186 -4.790 5.184 1.00 0.00 C ATOM 959 CD LYS A 74 -7.294 -5.767 5.530 1.00 0.00 C ATOM 960 CE LYS A 74 -8.654 -5.280 5.077 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.716 -6.270 5.396 1.00 0.00 N ATOM 0 H LYS A 74 -3.699 -4.222 7.510 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.551 -6.486 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.050 -4.682 5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.683 -6.235 4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.285 -3.890 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.276 -4.484 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.083 -6.731 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.309 -5.928 6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.882 -4.330 5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.637 -5.095 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.342 -6.384 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.279 -7.185 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.270 -5.934 6.209 1.00 0.00 H new ATOM 975 N THR A 75 -3.808 -8.212 6.810 1.00 0.00 N ATOM 976 CA THR A 75 -2.798 -9.251 6.809 1.00 0.00 C ATOM 977 C THR A 75 -2.202 -9.403 5.416 1.00 0.00 C ATOM 978 O THR A 75 -2.835 -9.041 4.419 1.00 0.00 O ATOM 979 CB THR A 75 -3.380 -10.601 7.275 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.544 -10.934 6.503 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.741 -10.554 8.750 1.00 0.00 C ATOM 0 H THR A 75 -4.767 -8.555 6.754 1.00 0.00 H new ATOM 0 HA THR A 75 -2.017 -8.956 7.509 1.00 0.00 H new ATOM 0 HB THR A 75 -2.618 -11.367 7.126 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.311 -10.419 6.829 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.149 -11.517 9.055 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.848 -10.336 9.336 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.485 -9.775 8.918 1.00 0.00 H new ATOM 989 N LEU A 76 -0.992 -9.934 5.350 1.00 0.00 N ATOM 990 CA LEU A 76 -0.313 -10.129 4.080 1.00 0.00 C ATOM 991 C LEU A 76 -1.094 -11.114 3.219 1.00 0.00 C ATOM 992 O LEU A 76 -1.124 -11.003 1.991 1.00 0.00 O ATOM 993 CB LEU A 76 1.115 -10.628 4.314 1.00 0.00 C ATOM 994 CG LEU A 76 1.984 -10.734 3.061 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.101 -9.380 2.378 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.361 -11.273 3.416 1.00 0.00 C ATOM 0 H LEU A 76 -0.459 -10.239 6.164 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.260 -9.175 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.605 -9.958 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.067 -11.609 4.786 1.00 0.00 H new ATOM 0 HG LEU A 76 1.509 -11.428 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.723 -9.474 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.109 -9.030 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.555 -8.665 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.968 -11.343 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.843 -10.601 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.260 -12.262 3.863 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.739 -12.066 3.881 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.565 -13.058 3.206 1.00 0.00 C ATOM 1010 C ASN A 77 -3.700 -12.387 2.447 1.00 0.00 C ATOM 1011 O ASN A 77 -3.973 -12.726 1.297 1.00 0.00 O ATOM 1012 CB ASN A 77 -3.140 -14.048 4.219 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.880 -15.191 3.551 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -3.278 -16.193 3.166 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -5.191 -15.060 3.418 1.00 0.00 N ATOM 0 H ASN A 77 -1.705 -12.172 4.895 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.936 -13.595 2.496 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.332 -14.449 4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.818 -13.523 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.737 -15.805 2.984 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.655 -14.214 3.749 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.356 -11.432 3.101 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.436 -10.676 2.475 1.00 0.00 C ATOM 1024 C GLU A 78 -4.934 -9.959 1.235 1.00 0.00 C ATOM 1025 O GLU A 78 -5.549 -10.037 0.174 1.00 0.00 O ATOM 1026 CB GLU A 78 -6.030 -9.657 3.451 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.909 -10.277 4.521 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.299 -9.286 5.597 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -8.388 -8.682 5.494 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -6.511 -9.108 6.557 1.00 0.00 O ATOM 0 H GLU A 78 -4.158 -11.163 4.065 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.215 -11.383 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.218 -9.112 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.615 -8.928 2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.810 -10.679 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.383 -11.116 4.977 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.800 -9.285 1.369 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.227 -8.529 0.268 1.00 0.00 C ATOM 1039 C ILE A 79 -2.929 -9.450 -0.913 1.00 0.00 C ATOM 1040 O ILE A 79 -3.264 -9.135 -2.053 1.00 0.00 O ATOM 1041 CB ILE A 79 -1.937 -7.793 0.694 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.187 -6.936 1.942 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.414 -6.929 -0.446 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.296 -5.915 1.778 1.00 0.00 C ATOM 0 H ILE A 79 -3.259 -9.247 2.233 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.961 -7.782 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.183 -8.541 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.432 -7.592 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.265 -6.417 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.505 -6.418 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.194 -7.559 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.168 -6.191 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.410 -5.350 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.046 -5.233 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.230 -6.427 1.547 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.331 -10.603 -0.628 1.00 0.00 N ATOM 1057 CA LYS A 80 -2.037 -11.585 -1.667 1.00 0.00 C ATOM 1058 C LYS A 80 -3.316 -12.101 -2.301 1.00 0.00 C ATOM 1059 O LYS A 80 -3.420 -12.198 -3.521 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.260 -12.772 -1.093 1.00 0.00 C ATOM 1061 CG LYS A 80 0.135 -12.427 -0.613 1.00 0.00 C ATOM 1062 CD LYS A 80 0.885 -13.678 -0.187 1.00 0.00 C ATOM 1063 CE LYS A 80 2.320 -13.371 0.210 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.056 -14.600 0.607 1.00 0.00 N ATOM 0 H LYS A 80 -2.041 -10.880 0.310 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.431 -11.085 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.825 -13.193 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.188 -13.548 -1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.683 -11.922 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.075 -11.731 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.368 -14.143 0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.881 -14.400 -1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.834 -12.893 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.325 -12.661 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.031 -14.351 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.580 -15.043 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.073 -15.267 -0.191 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.289 -12.416 -1.463 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.559 -12.956 -1.929 1.00 0.00 C ATOM 1080 C ARG A 81 -6.271 -11.965 -2.835 1.00 0.00 C ATOM 1081 O ARG A 81 -6.746 -12.323 -3.913 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.460 -13.307 -0.746 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.773 -13.950 -1.159 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.540 -15.275 -1.871 1.00 0.00 C ATOM 1085 NE ARG A 81 -6.774 -16.214 -1.052 1.00 0.00 N ATOM 1086 CZ ARG A 81 -5.788 -16.985 -1.517 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -5.452 -16.943 -2.802 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -5.146 -17.810 -0.700 1.00 0.00 N ATOM 0 H ARG A 81 -4.225 -12.307 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.346 -13.861 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.926 -13.984 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.670 -12.401 -0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.394 -14.112 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.321 -13.274 -1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.501 -15.721 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.010 -15.095 -2.806 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.008 -16.284 -0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.948 -16.319 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.698 -17.534 -3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.405 -17.856 0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.393 -18.398 -1.057 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.334 -10.719 -2.393 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.991 -9.669 -3.152 1.00 0.00 C ATOM 1104 C ILE A 82 -6.259 -9.414 -4.471 1.00 0.00 C ATOM 1105 O ILE A 82 -6.879 -9.122 -5.491 1.00 0.00 O ATOM 1106 CB ILE A 82 -7.073 -8.362 -2.326 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.922 -8.589 -1.071 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.654 -7.229 -3.160 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.793 -7.495 -0.031 1.00 0.00 C ATOM 0 H ILE A 82 -5.935 -10.410 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.005 -10.002 -3.376 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.064 -8.079 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.968 -8.676 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.638 -9.540 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.702 -6.322 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.020 -7.055 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.657 -7.498 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.425 -7.731 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.755 -7.422 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.106 -6.544 -0.462 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.938 -9.551 -4.451 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.130 -9.347 -5.648 1.00 0.00 C ATOM 1123 C LEU A 83 -4.123 -10.582 -6.544 1.00 0.00 C ATOM 1124 O LEU A 83 -3.544 -10.564 -7.631 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.696 -8.964 -5.276 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.533 -7.578 -4.656 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.082 -7.332 -4.275 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -3.021 -6.508 -5.621 1.00 0.00 C ATOM 0 H LEU A 83 -4.404 -9.802 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.584 -8.528 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.309 -9.705 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.078 -9.018 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.137 -7.529 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.985 -6.340 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.763 -8.083 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.456 -7.397 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.899 -5.525 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.440 -6.556 -6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.074 -6.675 -5.847 1.00 0.00 H new ATOM 1140 N SER A 84 -4.748 -11.654 -6.090 1.00 0.00 N ATOM 1141 CA SER A 84 -4.872 -12.851 -6.903 1.00 0.00 C ATOM 1142 C SER A 84 -6.215 -12.858 -7.635 1.00 0.00 C ATOM 1143 O SER A 84 -7.138 -13.578 -7.195 1.00 0.00 O ATOM 1144 CB SER A 84 -4.728 -14.098 -6.028 1.00 0.00 C ATOM 1145 OG SER A 84 -3.497 -14.087 -5.326 1.00 0.00 O ATOM 1146 OXT SER A 84 -6.353 -12.126 -8.640 1.00 0.00 O ATOM 0 H SER A 84 -5.176 -11.720 -5.167 1.00 0.00 H new ATOM 0 HA SER A 84 -4.076 -12.856 -7.647 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.554 -14.146 -5.319 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.788 -14.991 -6.649 1.00 0.00 H new ATOM 0 HG SER A 84 -3.596 -13.568 -4.501 1.00 0.00 H new