USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 427 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 20 ASN : amide:sc= 0.757 K(o=0.76,f=-6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -75:sc= 1.19 USER MOD Single : A 26 ASN : amide:sc=-0.00897 K(o=-0.009,f=-0.92) USER MOD Single : A 27 SER OG : rot 180:sc= -0.107 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 36 MET CE :methyl 180:sc=-0.00531 (180deg=-0.00531) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -78:sc= 1.29 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -34:sc= 0.225 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 90 ASN : amide:sc= 0.956 K(o=0.96,f=-4.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.555 2.816 -1.024 1.00 0.00 N ATOM 197 CA GLU A 13 14.098 2.806 -2.390 1.00 0.00 C ATOM 198 C GLU A 13 14.143 4.212 -3.011 1.00 0.00 C ATOM 199 O GLU A 13 15.072 4.520 -3.756 1.00 0.00 O ATOM 200 CB GLU A 13 13.255 1.851 -3.252 1.00 0.00 C ATOM 201 CG GLU A 13 13.495 0.380 -2.894 1.00 0.00 C ATOM 202 CD GLU A 13 12.659 -0.554 -3.792 1.00 0.00 C ATOM 203 OE1 GLU A 13 13.093 -0.859 -4.930 1.00 0.00 O ATOM 204 OE2 GLU A 13 11.569 -1.006 -3.359 1.00 0.00 O ATOM 0 HA GLU A 13 15.130 2.457 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.198 2.086 -3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.492 2.010 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.553 0.144 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.238 0.210 -1.848 1.00 0.00 H new ATOM 211 N VAL A 14 13.197 5.091 -2.656 1.00 0.00 N ATOM 212 CA VAL A 14 13.196 6.500 -3.097 1.00 0.00 C ATOM 213 C VAL A 14 14.314 7.283 -2.404 1.00 0.00 C ATOM 214 O VAL A 14 15.068 7.993 -3.065 1.00 0.00 O ATOM 215 CB VAL A 14 11.827 7.175 -2.864 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.793 8.588 -3.461 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.674 6.383 -3.493 1.00 0.00 C ATOM 0 H VAL A 14 12.409 4.850 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 14 13.381 6.507 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 14 11.699 7.212 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.816 9.036 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.565 9.199 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.974 8.534 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.732 6.898 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.832 6.302 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.637 5.385 -3.056 1.00 0.00 H new ATOM 227 N ASP A 15 14.476 7.116 -1.088 1.00 0.00 N ATOM 228 CA ASP A 15 15.576 7.733 -0.336 1.00 0.00 C ATOM 229 C ASP A 15 16.952 7.208 -0.779 1.00 0.00 C ATOM 230 O ASP A 15 17.882 7.990 -0.967 1.00 0.00 O ATOM 231 CB ASP A 15 15.371 7.488 1.160 1.00 0.00 C ATOM 232 CG ASP A 15 16.494 8.138 1.982 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.618 9.385 1.935 1.00 0.00 O ATOM 234 OD2 ASP A 15 17.221 7.413 2.702 1.00 0.00 O ATOM 0 H ASP A 15 13.850 6.551 -0.514 1.00 0.00 H new ATOM 0 HA ASP A 15 15.563 8.803 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.407 7.893 1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.345 6.416 1.357 1.00 0.00 H new ATOM 239 N GLU A 16 17.075 5.901 -1.020 1.00 0.00 N ATOM 240 CA GLU A 16 18.287 5.287 -1.569 1.00 0.00 C ATOM 241 C GLU A 16 18.621 5.832 -2.967 1.00 0.00 C ATOM 242 O GLU A 16 19.780 6.147 -3.233 1.00 0.00 O ATOM 243 CB GLU A 16 18.110 3.760 -1.593 1.00 0.00 C ATOM 244 CG GLU A 16 19.275 3.029 -2.270 1.00 0.00 C ATOM 245 CD GLU A 16 19.170 1.519 -1.990 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.381 0.809 -2.656 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.798 1.029 -1.022 1.00 0.00 O ATOM 0 H GLU A 16 16.328 5.231 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 16 19.131 5.543 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.006 3.396 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.184 3.516 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.257 3.212 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.224 3.413 -1.897 1.00 0.00 H new ATOM 254 N ALA A 17 17.629 5.999 -3.847 1.00 0.00 N ATOM 255 CA ALA A 17 17.851 6.575 -5.168 1.00 0.00 C ATOM 256 C ALA A 17 18.243 8.067 -5.097 1.00 0.00 C ATOM 257 O ALA A 17 19.172 8.485 -5.792 1.00 0.00 O ATOM 258 CB ALA A 17 16.606 6.335 -6.022 1.00 0.00 C ATOM 0 H ALA A 17 16.660 5.740 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 17 18.702 6.081 -5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.758 6.761 -7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.427 5.264 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.745 6.809 -5.551 1.00 0.00 H new ATOM 264 N ILE A 18 17.614 8.852 -4.208 1.00 0.00 N ATOM 265 CA ILE A 18 18.021 10.237 -3.914 1.00 0.00 C ATOM 266 C ILE A 18 19.475 10.269 -3.418 1.00 0.00 C ATOM 267 O ILE A 18 20.274 11.029 -3.956 1.00 0.00 O ATOM 268 CB ILE A 18 17.048 10.902 -2.901 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.722 11.254 -3.613 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.643 12.174 -2.258 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.582 11.681 -2.681 1.00 0.00 C ATOM 0 H ILE A 18 16.805 8.543 -3.670 1.00 0.00 H new ATOM 0 HA ILE A 18 17.969 10.820 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 18 16.871 10.184 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.911 12.058 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.395 10.389 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.923 12.599 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.559 11.918 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.868 12.904 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.694 11.907 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.358 10.872 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.882 12.568 -2.122 1.00 0.00 H new ATOM 283 N ASP A 19 19.849 9.425 -2.456 1.00 0.00 N ATOM 284 CA ASP A 19 21.198 9.404 -1.884 1.00 0.00 C ATOM 285 C ASP A 19 22.266 8.890 -2.869 1.00 0.00 C ATOM 286 O ASP A 19 23.379 9.413 -2.894 1.00 0.00 O ATOM 287 CB ASP A 19 21.167 8.565 -0.602 1.00 0.00 C ATOM 288 CG ASP A 19 22.507 8.616 0.141 1.00 0.00 C ATOM 289 OD1 ASP A 19 22.872 9.685 0.679 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.202 7.573 0.179 1.00 0.00 O ATOM 0 H ASP A 19 19.221 8.732 -2.048 1.00 0.00 H new ATOM 0 HA ASP A 19 21.491 10.429 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.374 8.928 0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.927 7.531 -0.849 1.00 0.00 H new ATOM 295 N ASN A 20 21.921 7.929 -3.736 1.00 0.00 N ATOM 296 CA ASN A 20 22.767 7.515 -4.858 1.00 0.00 C ATOM 297 C ASN A 20 23.025 8.693 -5.810 1.00 0.00 C ATOM 298 O ASN A 20 24.180 9.018 -6.064 1.00 0.00 O ATOM 299 CB ASN A 20 22.118 6.330 -5.601 1.00 0.00 C ATOM 300 CG ASN A 20 22.296 4.975 -4.928 1.00 0.00 C ATOM 301 OD1 ASN A 20 23.074 4.790 -4.001 1.00 0.00 O ATOM 302 ND2 ASN A 20 21.611 3.962 -5.406 1.00 0.00 N ATOM 0 H ASN A 20 21.042 7.415 -3.676 1.00 0.00 H new ATOM 0 HA ASN A 20 23.731 7.189 -4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.052 6.528 -5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 20 22.536 6.278 -6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.730 3.032 -5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.960 4.105 -6.178 1.00 0.00 H new ATOM 309 N ILE A 21 21.976 9.392 -6.266 1.00 0.00 N ATOM 310 CA ILE A 21 22.117 10.580 -7.128 1.00 0.00 C ATOM 311 C ILE A 21 22.939 11.674 -6.433 1.00 0.00 C ATOM 312 O ILE A 21 23.843 12.247 -7.042 1.00 0.00 O ATOM 313 CB ILE A 21 20.723 11.091 -7.566 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.130 10.137 -8.626 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.815 12.527 -8.117 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.621 10.321 -8.844 1.00 0.00 C ATOM 0 H ILE A 21 21.008 9.153 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 21 22.666 10.297 -8.027 1.00 0.00 H new ATOM 0 HB ILE A 21 20.065 11.109 -6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.647 10.293 -9.573 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.322 9.107 -8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.824 12.865 -8.419 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.205 13.189 -7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.482 12.544 -8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.274 9.618 -9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.093 10.136 -7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.423 11.340 -9.177 1.00 0.00 H new ATOM 328 N LEU A 22 22.669 11.934 -5.155 1.00 0.00 N ATOM 329 CA LEU A 22 23.369 12.925 -4.341 1.00 0.00 C ATOM 330 C LEU A 22 24.884 12.665 -4.285 1.00 0.00 C ATOM 331 O LEU A 22 25.680 13.583 -4.488 1.00 0.00 O ATOM 332 CB LEU A 22 22.725 12.867 -2.944 1.00 0.00 C ATOM 333 CG LEU A 22 23.216 13.933 -1.965 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.700 15.310 -2.380 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.694 13.625 -0.562 1.00 0.00 C ATOM 0 H LEU A 22 21.935 11.446 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 22 23.271 13.920 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.645 12.965 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.914 11.884 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 22 24.306 13.931 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.057 16.060 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.064 15.549 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.610 15.304 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.046 14.387 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.604 13.619 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.059 12.648 -0.244 1.00 0.00 H new ATOM 347 N ARG A 23 25.280 11.402 -4.076 1.00 0.00 N ATOM 348 CA ARG A 23 26.691 10.980 -4.067 1.00 0.00 C ATOM 349 C ARG A 23 27.319 10.950 -5.466 1.00 0.00 C ATOM 350 O ARG A 23 28.436 11.434 -5.620 1.00 0.00 O ATOM 351 CB ARG A 23 26.810 9.623 -3.357 1.00 0.00 C ATOM 352 CG ARG A 23 26.747 9.775 -1.829 1.00 0.00 C ATOM 353 CD ARG A 23 26.922 8.433 -1.101 1.00 0.00 C ATOM 354 NE ARG A 23 25.703 7.608 -1.166 1.00 0.00 N ATOM 355 CZ ARG A 23 25.403 6.611 -1.973 1.00 0.00 C ATOM 356 NH1 ARG A 23 26.194 6.157 -2.903 1.00 0.00 N ATOM 357 NH2 ARG A 23 24.247 6.053 -1.823 1.00 0.00 N ATOM 0 H ARG A 23 24.627 10.637 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 23 27.262 11.727 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.007 8.966 -3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.749 9.147 -3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.524 10.467 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.790 10.215 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.754 7.886 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.180 8.617 -0.058 1.00 0.00 H new ATOM 0 HE ARG A 23 24.983 7.844 -0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.112 6.578 -3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 23 25.895 5.380 -3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.609 6.388 -1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 23 23.973 5.277 -2.426 1.00 0.00 H new ATOM 371 N TYR A 24 26.611 10.472 -6.496 1.00 0.00 N ATOM 372 CA TYR A 24 27.113 10.462 -7.883 1.00 0.00 C ATOM 373 C TYR A 24 27.342 11.879 -8.439 1.00 0.00 C ATOM 374 O TYR A 24 28.315 12.118 -9.154 1.00 0.00 O ATOM 375 CB TYR A 24 26.141 9.706 -8.804 1.00 0.00 C ATOM 376 CG TYR A 24 25.830 8.247 -8.491 1.00 0.00 C ATOM 377 CD1 TYR A 24 26.695 7.442 -7.717 1.00 0.00 C ATOM 378 CD2 TYR A 24 24.645 7.686 -9.007 1.00 0.00 C ATOM 379 CE1 TYR A 24 26.363 6.102 -7.439 1.00 0.00 C ATOM 380 CE2 TYR A 24 24.315 6.342 -8.742 1.00 0.00 C ATOM 381 CZ TYR A 24 25.166 5.549 -7.944 1.00 0.00 C ATOM 382 OH TYR A 24 24.834 4.255 -7.677 1.00 0.00 O ATOM 0 H TYR A 24 25.674 10.081 -6.396 1.00 0.00 H new ATOM 0 HA TYR A 24 28.076 9.952 -7.860 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.198 10.252 -8.811 1.00 0.00 H new ATOM 0 HB3 TYR A 24 26.542 9.750 -9.817 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.617 7.857 -7.336 1.00 0.00 H new ATOM 0 HD2 TYR A 24 23.984 8.291 -9.610 1.00 0.00 H new ATOM 0 HE1 TYR A 24 27.025 5.496 -6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 24 23.409 5.918 -9.150 1.00 0.00 H new ATOM 0 HH TYR A 24 23.977 4.043 -8.103 1.00 0.00 H new ATOM 392 N THR A 25 26.480 12.836 -8.074 1.00 0.00 N ATOM 393 CA THR A 25 26.645 14.265 -8.422 1.00 0.00 C ATOM 394 C THR A 25 27.594 15.027 -7.481 1.00 0.00 C ATOM 395 O THR A 25 27.953 16.166 -7.782 1.00 0.00 O ATOM 396 CB THR A 25 25.292 14.992 -8.465 1.00 0.00 C ATOM 397 OG1 THR A 25 24.624 14.895 -7.231 1.00 0.00 O ATOM 398 CG2 THR A 25 24.353 14.470 -9.554 1.00 0.00 C ATOM 0 H THR A 25 25.641 12.646 -7.525 1.00 0.00 H new ATOM 0 HA THR A 25 27.099 14.261 -9.413 1.00 0.00 H new ATOM 0 HB THR A 25 25.537 16.030 -8.692 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.260 13.991 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.417 15.029 -9.526 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.822 14.596 -10.530 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.150 13.413 -9.383 1.00 0.00 H new ATOM 406 N ASN A 26 28.007 14.412 -6.360 1.00 0.00 N ATOM 407 CA ASN A 26 28.786 15.040 -5.285 1.00 0.00 C ATOM 408 C ASN A 26 28.161 16.376 -4.810 1.00 0.00 C ATOM 409 O ASN A 26 28.834 17.405 -4.700 1.00 0.00 O ATOM 410 CB ASN A 26 30.274 15.109 -5.687 1.00 0.00 C ATOM 411 CG ASN A 26 31.202 15.432 -4.523 1.00 0.00 C ATOM 412 OD1 ASN A 26 30.853 15.340 -3.353 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.436 15.790 -4.806 1.00 0.00 N ATOM 0 H ASN A 26 27.800 13.431 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 26 28.746 14.416 -4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.569 14.155 -6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.398 15.866 -6.462 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.095 15.989 -4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.734 15.869 -5.778 1.00 0.00 H new ATOM 420 N SER A 27 26.840 16.349 -4.598 1.00 0.00 N ATOM 421 CA SER A 27 26.009 17.540 -4.354 1.00 0.00 C ATOM 422 C SER A 27 25.400 17.568 -2.939 1.00 0.00 C ATOM 423 O SER A 27 25.552 16.630 -2.153 1.00 0.00 O ATOM 424 CB SER A 27 24.928 17.602 -5.442 1.00 0.00 C ATOM 425 OG SER A 27 24.300 18.875 -5.437 1.00 0.00 O ATOM 0 H SER A 27 26.305 15.481 -4.591 1.00 0.00 H new ATOM 0 HA SER A 27 26.641 18.426 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 27 25.373 17.412 -6.419 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.186 16.822 -5.273 1.00 0.00 H new ATOM 0 HG SER A 27 23.613 18.904 -6.136 1.00 0.00 H new ATOM 431 N THR A 28 24.695 18.660 -2.629 1.00 0.00 N ATOM 432 CA THR A 28 23.829 18.800 -1.441 1.00 0.00 C ATOM 433 C THR A 28 22.358 18.863 -1.861 1.00 0.00 C ATOM 434 O THR A 28 22.031 19.335 -2.951 1.00 0.00 O ATOM 435 CB THR A 28 24.258 19.975 -0.546 1.00 0.00 C ATOM 436 OG1 THR A 28 23.465 19.969 0.619 1.00 0.00 O ATOM 437 CG2 THR A 28 24.104 21.350 -1.199 1.00 0.00 C ATOM 0 H THR A 28 24.707 19.498 -3.210 1.00 0.00 H new ATOM 0 HA THR A 28 23.948 17.912 -0.820 1.00 0.00 H new ATOM 0 HB THR A 28 25.318 19.828 -0.341 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.730 20.713 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 28 24.428 22.122 -0.502 1.00 0.00 H new ATOM 0 HG22 THR A 28 24.715 21.395 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.059 21.513 -1.461 1.00 0.00 H new ATOM 445 N GLU A 29 21.438 18.396 -1.011 1.00 0.00 N ATOM 446 CA GLU A 29 20.024 18.201 -1.384 1.00 0.00 C ATOM 447 C GLU A 29 19.313 19.520 -1.732 1.00 0.00 C ATOM 448 O GLU A 29 18.432 19.532 -2.589 1.00 0.00 O ATOM 449 CB GLU A 29 19.294 17.423 -0.269 1.00 0.00 C ATOM 450 CG GLU A 29 19.816 15.981 -0.160 1.00 0.00 C ATOM 451 CD GLU A 29 19.177 15.212 1.012 1.00 0.00 C ATOM 452 OE1 GLU A 29 19.448 15.565 2.184 1.00 0.00 O ATOM 453 OE2 GLU A 29 18.425 14.235 0.766 1.00 0.00 O ATOM 0 H GLU A 29 21.647 18.141 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 29 19.996 17.608 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.431 17.935 0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.223 17.410 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.613 15.453 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 29 20.898 15.998 -0.033 1.00 0.00 H new ATOM 460 N GLN A 30 19.751 20.652 -1.166 1.00 0.00 N ATOM 461 CA GLN A 30 19.263 21.987 -1.553 1.00 0.00 C ATOM 462 C GLN A 30 19.653 22.354 -2.997 1.00 0.00 C ATOM 463 O GLN A 30 18.815 22.841 -3.754 1.00 0.00 O ATOM 464 CB GLN A 30 19.797 23.041 -0.568 1.00 0.00 C ATOM 465 CG GLN A 30 19.274 22.854 0.870 1.00 0.00 C ATOM 466 CD GLN A 30 19.774 23.918 1.850 1.00 0.00 C ATOM 467 OE1 GLN A 30 20.513 24.839 1.520 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.389 23.838 3.108 1.00 0.00 N ATOM 0 H GLN A 30 20.454 20.671 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 30 18.174 21.967 -1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.886 23.000 -0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.518 24.033 -0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.184 22.869 0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.574 21.870 1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.774 23.081 3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.706 24.534 3.783 1.00 0.00 H new ATOM 477 N GLN A 31 20.894 22.064 -3.417 1.00 0.00 N ATOM 478 CA GLN A 31 21.338 22.292 -4.803 1.00 0.00 C ATOM 479 C GLN A 31 20.711 21.289 -5.782 1.00 0.00 C ATOM 480 O GLN A 31 20.372 21.661 -6.902 1.00 0.00 O ATOM 481 CB GLN A 31 22.875 22.278 -4.898 1.00 0.00 C ATOM 482 CG GLN A 31 23.501 23.516 -4.231 1.00 0.00 C ATOM 483 CD GLN A 31 25.002 23.615 -4.506 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.840 23.207 -3.713 1.00 0.00 O ATOM 485 NE2 GLN A 31 25.400 24.149 -5.646 1.00 0.00 N ATOM 0 H GLN A 31 21.614 21.668 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 31 20.989 23.282 -5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.260 21.376 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.174 22.239 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.005 24.415 -4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.331 23.473 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 31 24.712 24.493 -6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 31 26.396 24.218 -5.857 1.00 0.00 H new ATOM 494 N PHE A 32 20.470 20.046 -5.353 1.00 0.00 N ATOM 495 CA PHE A 32 19.705 19.070 -6.143 1.00 0.00 C ATOM 496 C PHE A 32 18.251 19.545 -6.354 1.00 0.00 C ATOM 497 O PHE A 32 17.766 19.528 -7.481 1.00 0.00 O ATOM 498 CB PHE A 32 19.812 17.697 -5.454 1.00 0.00 C ATOM 499 CG PHE A 32 19.173 16.487 -6.127 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.774 16.487 -7.483 1.00 0.00 C ATOM 501 CD2 PHE A 32 18.996 15.318 -5.361 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.162 15.350 -8.042 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.393 14.178 -5.924 1.00 0.00 C ATOM 504 CZ PHE A 32 17.961 14.202 -7.261 1.00 0.00 C ATOM 0 H PHE A 32 20.796 19.688 -4.455 1.00 0.00 H new ATOM 0 HA PHE A 32 20.121 18.976 -7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.871 17.478 -5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.375 17.791 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.940 17.363 -8.092 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.326 15.297 -4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.846 15.361 -9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.262 13.286 -5.329 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.474 13.337 -7.687 1.00 0.00 H new ATOM 514 N LEU A 33 17.582 20.068 -5.316 1.00 0.00 N ATOM 515 CA LEU A 33 16.231 20.646 -5.448 1.00 0.00 C ATOM 516 C LEU A 33 16.228 21.863 -6.380 1.00 0.00 C ATOM 517 O LEU A 33 15.379 21.956 -7.263 1.00 0.00 O ATOM 518 CB LEU A 33 15.676 20.952 -4.039 1.00 0.00 C ATOM 519 CG LEU A 33 14.204 21.420 -3.906 1.00 0.00 C ATOM 520 CD1 LEU A 33 13.983 22.879 -4.302 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.222 20.539 -4.685 1.00 0.00 C ATOM 0 H LEU A 33 17.956 20.104 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 33 15.565 19.925 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.793 20.052 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.309 21.720 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 33 13.999 21.323 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.930 23.133 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.586 23.525 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.275 23.022 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.209 20.918 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.480 20.556 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.278 19.516 -4.314 1.00 0.00 H new ATOM 533 N GLU A 34 17.210 22.752 -6.249 1.00 0.00 N ATOM 534 CA GLU A 34 17.369 23.914 -7.139 1.00 0.00 C ATOM 535 C GLU A 34 17.588 23.511 -8.608 1.00 0.00 C ATOM 536 O GLU A 34 16.982 24.091 -9.508 1.00 0.00 O ATOM 537 CB GLU A 34 18.513 24.798 -6.615 1.00 0.00 C ATOM 538 CG GLU A 34 18.663 26.107 -7.396 1.00 0.00 C ATOM 539 CD GLU A 34 19.738 27.004 -6.760 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.945 26.804 -7.041 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.387 27.923 -5.977 1.00 0.00 O ATOM 0 H GLU A 34 17.923 22.692 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 34 16.439 24.483 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.336 25.027 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.448 24.241 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.930 25.890 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.709 26.634 -7.417 1.00 0.00 H new ATOM 548 N ALA A 35 18.391 22.475 -8.856 1.00 0.00 N ATOM 549 CA ALA A 35 18.603 21.924 -10.196 1.00 0.00 C ATOM 550 C ALA A 35 17.328 21.281 -10.768 1.00 0.00 C ATOM 551 O ALA A 35 17.011 21.489 -11.936 1.00 0.00 O ATOM 552 CB ALA A 35 19.772 20.933 -10.141 1.00 0.00 C ATOM 0 H ALA A 35 18.916 21.991 -8.128 1.00 0.00 H new ATOM 0 HA ALA A 35 18.852 22.736 -10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.941 20.514 -11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.672 21.450 -9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.535 20.129 -9.444 1.00 0.00 H new ATOM 558 N MET A 36 16.554 20.558 -9.955 1.00 0.00 N ATOM 559 CA MET A 36 15.246 20.025 -10.359 1.00 0.00 C ATOM 560 C MET A 36 14.247 21.149 -10.678 1.00 0.00 C ATOM 561 O MET A 36 13.600 21.101 -11.720 1.00 0.00 O ATOM 562 CB MET A 36 14.698 19.095 -9.264 1.00 0.00 C ATOM 563 CG MET A 36 15.498 17.794 -9.129 1.00 0.00 C ATOM 564 SD MET A 36 15.248 16.603 -10.469 1.00 0.00 S ATOM 565 CE MET A 36 13.679 15.848 -9.975 1.00 0.00 C ATOM 0 H MET A 36 16.815 20.324 -8.997 1.00 0.00 H new ATOM 0 HA MET A 36 15.382 19.450 -11.275 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.707 19.621 -8.310 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.658 18.855 -9.486 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.558 18.041 -9.075 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.233 17.318 -8.185 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.393 15.091 -10.706 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.792 15.383 -8.996 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.906 16.615 -9.926 1.00 0.00 H new ATOM 575 N GLU A 37 14.167 22.195 -9.856 1.00 0.00 N ATOM 576 CA GLU A 37 13.306 23.358 -10.114 1.00 0.00 C ATOM 577 C GLU A 37 13.715 24.104 -11.401 1.00 0.00 C ATOM 578 O GLU A 37 12.859 24.471 -12.209 1.00 0.00 O ATOM 579 CB GLU A 37 13.337 24.279 -8.882 1.00 0.00 C ATOM 580 CG GLU A 37 12.361 25.455 -9.003 1.00 0.00 C ATOM 581 CD GLU A 37 12.351 26.293 -7.709 1.00 0.00 C ATOM 582 OE1 GLU A 37 13.217 27.186 -7.549 1.00 0.00 O ATOM 583 OE2 GLU A 37 11.462 26.071 -6.847 1.00 0.00 O ATOM 0 H GLU A 37 14.698 22.264 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 37 12.284 23.017 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.093 23.699 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.348 24.663 -8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.645 26.084 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.358 25.081 -9.207 1.00 0.00 H new ATOM 590 N SER A 38 15.024 24.266 -11.632 1.00 0.00 N ATOM 591 CA SER A 38 15.575 24.891 -12.845 1.00 0.00 C ATOM 592 C SER A 38 15.324 24.070 -14.125 1.00 0.00 C ATOM 593 O SER A 38 15.150 24.641 -15.204 1.00 0.00 O ATOM 594 CB SER A 38 17.082 25.108 -12.644 1.00 0.00 C ATOM 595 OG SER A 38 17.633 25.872 -13.706 1.00 0.00 O ATOM 0 H SER A 38 15.742 23.963 -10.973 1.00 0.00 H new ATOM 0 HA SER A 38 15.059 25.840 -12.990 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.256 25.618 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.587 24.144 -12.585 1.00 0.00 H new ATOM 0 HG SER A 38 18.593 25.998 -13.555 1.00 0.00 H new ATOM 601 N THR A 39 15.253 22.738 -14.009 1.00 0.00 N ATOM 602 CA THR A 39 15.075 21.807 -15.148 1.00 0.00 C ATOM 603 C THR A 39 13.643 21.273 -15.308 1.00 0.00 C ATOM 604 O THR A 39 13.392 20.429 -16.170 1.00 0.00 O ATOM 605 CB THR A 39 16.093 20.655 -15.098 1.00 0.00 C ATOM 606 OG1 THR A 39 15.966 19.932 -13.902 1.00 0.00 O ATOM 607 CG2 THR A 39 17.537 21.150 -15.191 1.00 0.00 C ATOM 0 H THR A 39 15.318 22.262 -13.109 1.00 0.00 H new ATOM 0 HA THR A 39 15.267 22.405 -16.039 1.00 0.00 H new ATOM 0 HB THR A 39 15.875 20.023 -15.959 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.391 20.430 -13.172 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.217 20.299 -15.151 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.679 21.684 -16.131 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.746 21.821 -14.357 1.00 0.00 H new ATOM 615 N GLY A 40 12.683 21.756 -14.508 1.00 0.00 N ATOM 616 CA GLY A 40 11.261 21.399 -14.633 1.00 0.00 C ATOM 617 C GLY A 40 10.892 20.029 -14.043 1.00 0.00 C ATOM 618 O GLY A 40 9.890 19.430 -14.440 1.00 0.00 O ATOM 0 H GLY A 40 12.872 22.411 -13.749 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.663 22.165 -14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.988 21.411 -15.688 1.00 0.00 H new ATOM 622 N GLY A 41 11.717 19.514 -13.127 1.00 0.00 N ATOM 623 CA GLY A 41 11.536 18.202 -12.487 1.00 0.00 C ATOM 624 C GLY A 41 12.115 17.021 -13.276 1.00 0.00 C ATOM 625 O GLY A 41 11.934 15.874 -12.867 1.00 0.00 O ATOM 0 H GLY A 41 12.549 20.006 -12.801 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.001 18.226 -11.501 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.470 18.032 -12.333 1.00 0.00 H new ATOM 629 N ARG A 42 12.839 17.262 -14.379 1.00 0.00 N ATOM 630 CA ARG A 42 13.528 16.205 -15.143 1.00 0.00 C ATOM 631 C ARG A 42 14.811 15.775 -14.439 1.00 0.00 C ATOM 632 O ARG A 42 15.869 16.348 -14.674 1.00 0.00 O ATOM 633 CB ARG A 42 13.814 16.680 -16.577 1.00 0.00 C ATOM 634 CG ARG A 42 12.546 16.698 -17.447 1.00 0.00 C ATOM 635 CD ARG A 42 12.929 16.440 -18.908 1.00 0.00 C ATOM 636 NE ARG A 42 11.740 16.372 -19.783 1.00 0.00 N ATOM 637 CZ ARG A 42 11.077 17.379 -20.332 1.00 0.00 C ATOM 638 NH1 ARG A 42 11.406 18.626 -20.147 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.049 17.143 -21.094 1.00 0.00 N ATOM 0 H ARG A 42 12.965 18.196 -14.769 1.00 0.00 H new ATOM 0 HA ARG A 42 12.873 15.335 -15.198 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.246 17.680 -16.547 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.556 16.025 -17.033 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.845 15.938 -17.103 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.042 17.660 -17.356 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.591 17.233 -19.256 1.00 0.00 H new ATOM 0 HD3 ARG A 42 13.486 15.506 -18.978 1.00 0.00 H new ATOM 0 HE ARG A 42 11.387 15.437 -19.989 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.205 18.861 -19.558 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.865 19.368 -20.591 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.753 16.183 -21.269 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.539 17.918 -21.517 1.00 0.00 H new ATOM 653 N VAL A 43 14.746 14.685 -13.670 1.00 0.00 N ATOM 654 CA VAL A 43 15.912 14.123 -12.946 1.00 0.00 C ATOM 655 C VAL A 43 17.105 13.854 -13.871 1.00 0.00 C ATOM 656 O VAL A 43 18.224 14.202 -13.511 1.00 0.00 O ATOM 657 CB VAL A 43 15.496 12.899 -12.097 1.00 0.00 C ATOM 658 CG1 VAL A 43 14.993 11.714 -12.929 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.624 12.432 -11.175 1.00 0.00 C ATOM 0 H VAL A 43 13.885 14.158 -13.525 1.00 0.00 H new ATOM 0 HA VAL A 43 16.269 14.880 -12.248 1.00 0.00 H new ATOM 0 HB VAL A 43 14.660 13.253 -11.494 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.720 10.893 -12.266 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.121 12.019 -13.507 1.00 0.00 H new ATOM 0 HG13 VAL A 43 15.780 11.385 -13.607 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.289 11.571 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.491 12.152 -11.774 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.897 13.240 -10.496 1.00 0.00 H new ATOM 669 N ARG A 44 16.882 13.388 -15.111 1.00 0.00 N ATOM 670 CA ARG A 44 17.956 13.173 -16.105 1.00 0.00 C ATOM 671 C ARG A 44 18.721 14.459 -16.467 1.00 0.00 C ATOM 672 O ARG A 44 19.949 14.472 -16.492 1.00 0.00 O ATOM 673 CB ARG A 44 17.386 12.407 -17.329 1.00 0.00 C ATOM 674 CG ARG A 44 16.450 13.195 -18.276 1.00 0.00 C ATOM 675 CD ARG A 44 15.796 12.286 -19.328 1.00 0.00 C ATOM 676 NE ARG A 44 14.657 11.526 -18.766 1.00 0.00 N ATOM 677 CZ ARG A 44 14.457 10.219 -18.804 1.00 0.00 C ATOM 678 NH1 ARG A 44 15.333 9.375 -19.242 1.00 0.00 N ATOM 679 NH2 ARG A 44 13.363 9.676 -18.366 1.00 0.00 N ATOM 0 H ARG A 44 15.953 13.148 -15.456 1.00 0.00 H new ATOM 0 HA ARG A 44 18.724 12.546 -15.652 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.225 12.033 -17.916 1.00 0.00 H new ATOM 0 HB3 ARG A 44 16.842 11.537 -16.961 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.674 13.688 -17.691 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.018 13.979 -18.777 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.451 12.891 -20.167 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.539 11.591 -19.720 1.00 0.00 H new ATOM 0 HE ARG A 44 13.940 12.076 -18.293 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.235 9.707 -19.583 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.122 8.377 -19.247 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.624 10.261 -17.977 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.242 8.664 -18.411 1.00 0.00 H new ATOM 693 N ILE A 45 17.992 15.563 -16.652 1.00 0.00 N ATOM 694 CA ILE A 45 18.577 16.872 -17.008 1.00 0.00 C ATOM 695 C ILE A 45 19.173 17.557 -15.772 1.00 0.00 C ATOM 696 O ILE A 45 20.217 18.187 -15.873 1.00 0.00 O ATOM 697 CB ILE A 45 17.554 17.775 -17.742 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.868 17.081 -18.945 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.216 19.076 -18.238 1.00 0.00 C ATOM 700 CD1 ILE A 45 17.803 16.549 -20.044 1.00 0.00 C ATOM 0 H ILE A 45 16.976 15.581 -16.560 1.00 0.00 H new ATOM 0 HA ILE A 45 19.393 16.697 -17.709 1.00 0.00 H new ATOM 0 HB ILE A 45 16.786 17.997 -17.001 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.274 16.249 -18.568 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.174 17.788 -19.398 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.474 19.690 -18.749 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.619 19.626 -17.388 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.024 18.833 -18.928 1.00 0.00 H new ATOM 0 HD11 ILE A 45 17.211 16.085 -20.832 1.00 0.00 H new ATOM 0 HD12 ILE A 45 18.380 17.374 -20.462 1.00 0.00 H new ATOM 0 HD13 ILE A 45 18.482 15.810 -19.618 1.00 0.00 H new ATOM 712 N ALA A 46 18.581 17.376 -14.590 1.00 0.00 N ATOM 713 CA ALA A 46 19.136 17.882 -13.332 1.00 0.00 C ATOM 714 C ALA A 46 20.510 17.255 -13.038 1.00 0.00 C ATOM 715 O ALA A 46 21.489 17.972 -12.838 1.00 0.00 O ATOM 716 CB ALA A 46 18.129 17.627 -12.202 1.00 0.00 C ATOM 0 H ALA A 46 17.701 16.873 -14.477 1.00 0.00 H new ATOM 0 HA ALA A 46 19.302 18.956 -13.412 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.535 18.001 -11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.194 18.142 -12.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.942 16.557 -12.116 1.00 0.00 H new ATOM 722 N ILE A 47 20.623 15.922 -13.106 1.00 0.00 N ATOM 723 CA ILE A 47 21.916 15.254 -12.893 1.00 0.00 C ATOM 724 C ILE A 47 22.897 15.546 -14.034 1.00 0.00 C ATOM 725 O ILE A 47 24.072 15.771 -13.757 1.00 0.00 O ATOM 726 CB ILE A 47 21.775 13.753 -12.562 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.341 12.888 -13.763 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.846 13.592 -11.346 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.161 11.405 -13.414 1.00 0.00 C ATOM 0 H ILE A 47 19.847 15.291 -13.304 1.00 0.00 H new ATOM 0 HA ILE A 47 22.355 15.690 -11.996 1.00 0.00 H new ATOM 0 HB ILE A 47 22.764 13.371 -12.309 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.403 13.276 -14.161 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.085 12.979 -14.554 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.741 12.534 -11.106 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.271 14.118 -10.491 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.867 14.010 -11.579 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.855 10.856 -14.305 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.104 11.001 -13.044 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.396 11.303 -12.644 1.00 0.00 H new ATOM 741 N ALA A 48 22.429 15.683 -15.283 1.00 0.00 N ATOM 742 CA ALA A 48 23.267 16.180 -16.375 1.00 0.00 C ATOM 743 C ALA A 48 23.831 17.591 -16.094 1.00 0.00 C ATOM 744 O ALA A 48 25.027 17.811 -16.265 1.00 0.00 O ATOM 745 CB ALA A 48 22.443 16.150 -17.667 1.00 0.00 C ATOM 0 H ALA A 48 21.474 15.455 -15.559 1.00 0.00 H new ATOM 0 HA ALA A 48 24.138 15.532 -16.474 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.050 16.517 -18.494 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.128 15.127 -17.874 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.564 16.784 -17.553 1.00 0.00 H new ATOM 751 N LYS A 49 23.015 18.527 -15.584 1.00 0.00 N ATOM 752 CA LYS A 49 23.449 19.889 -15.203 1.00 0.00 C ATOM 753 C LYS A 49 24.408 19.905 -14.004 1.00 0.00 C ATOM 754 O LYS A 49 25.289 20.761 -13.953 1.00 0.00 O ATOM 755 CB LYS A 49 22.221 20.781 -14.942 1.00 0.00 C ATOM 756 CG LYS A 49 21.482 21.200 -16.222 1.00 0.00 C ATOM 757 CD LYS A 49 22.236 22.271 -17.029 1.00 0.00 C ATOM 758 CE LYS A 49 21.428 22.657 -18.274 1.00 0.00 C ATOM 759 NZ LYS A 49 22.110 23.718 -19.072 1.00 0.00 N ATOM 0 H LYS A 49 22.022 18.361 -15.421 1.00 0.00 H new ATOM 0 HA LYS A 49 24.015 20.291 -16.044 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.528 20.249 -14.290 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.539 21.676 -14.407 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.327 20.322 -16.849 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.495 21.580 -15.957 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.407 23.151 -16.409 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.215 21.893 -17.324 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.277 21.775 -18.897 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.441 23.007 -17.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.532 23.951 -19.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 22.232 24.569 -18.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 23.041 23.375 -19.382 1.00 0.00 H new ATOM 773 N LEU A 50 24.289 18.950 -13.072 1.00 0.00 N ATOM 774 CA LEU A 50 25.302 18.759 -12.014 1.00 0.00 C ATOM 775 C LEU A 50 26.630 18.194 -12.560 1.00 0.00 C ATOM 776 O LEU A 50 27.697 18.568 -12.072 1.00 0.00 O ATOM 777 CB LEU A 50 24.758 17.845 -10.890 1.00 0.00 C ATOM 778 CG LEU A 50 24.081 18.520 -9.682 1.00 0.00 C ATOM 779 CD1 LEU A 50 24.995 19.525 -8.974 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.769 19.206 -10.044 1.00 0.00 C ATOM 0 H LEU A 50 23.506 18.298 -13.025 1.00 0.00 H new ATOM 0 HA LEU A 50 25.513 19.747 -11.604 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.040 17.157 -11.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.587 17.243 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 50 23.866 17.701 -8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.464 19.969 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.887 19.014 -8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.285 20.309 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.339 19.663 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.955 19.976 -10.793 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.073 18.470 -10.446 1.00 0.00 H new ATOM 792 N LEU A 51 26.579 17.293 -13.548 1.00 0.00 N ATOM 793 CA LEU A 51 27.756 16.572 -14.063 1.00 0.00 C ATOM 794 C LEU A 51 28.502 17.294 -15.206 1.00 0.00 C ATOM 795 O LEU A 51 29.703 17.074 -15.372 1.00 0.00 O ATOM 796 CB LEU A 51 27.315 15.157 -14.492 1.00 0.00 C ATOM 797 CG LEU A 51 26.896 14.240 -13.323 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.225 12.978 -13.864 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.092 13.810 -12.469 1.00 0.00 C ATOM 0 H LEU A 51 25.711 17.039 -14.020 1.00 0.00 H new ATOM 0 HA LEU A 51 28.484 16.524 -13.253 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.480 15.245 -15.187 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.133 14.683 -15.035 1.00 0.00 H new ATOM 0 HG LEU A 51 26.208 14.815 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.933 12.337 -13.033 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.340 13.254 -14.438 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.923 12.442 -14.508 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.748 13.166 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.804 13.265 -13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.576 14.692 -12.050 1.00 0.00 H new ATOM 1252 N SER A 85 11.054 10.597 -12.285 1.00 0.00 N ATOM 1253 CA SER A 85 11.015 12.021 -11.926 1.00 0.00 C ATOM 1254 C SER A 85 10.157 12.329 -10.694 1.00 0.00 C ATOM 1255 O SER A 85 10.605 13.032 -9.788 1.00 0.00 O ATOM 1256 CB SER A 85 10.512 12.833 -13.128 1.00 0.00 C ATOM 1257 OG SER A 85 9.301 12.280 -13.630 1.00 0.00 O ATOM 0 HA SER A 85 12.034 12.304 -11.662 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.350 13.870 -12.832 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.269 12.839 -13.913 1.00 0.00 H new ATOM 0 HG SER A 85 9.319 11.306 -13.528 1.00 0.00 H new ATOM 1263 N GLN A 86 8.930 11.804 -10.636 1.00 0.00 N ATOM 1264 CA GLN A 86 7.919 12.227 -9.656 1.00 0.00 C ATOM 1265 C GLN A 86 8.210 11.807 -8.211 1.00 0.00 C ATOM 1266 O GLN A 86 8.107 12.645 -7.316 1.00 0.00 O ATOM 1267 CB GLN A 86 6.524 11.740 -10.090 1.00 0.00 C ATOM 1268 CG GLN A 86 6.071 12.349 -11.431 1.00 0.00 C ATOM 1269 CD GLN A 86 4.656 11.934 -11.846 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.945 11.195 -11.176 1.00 0.00 O ATOM 1271 NE2 GLN A 86 4.184 12.398 -12.984 1.00 0.00 N ATOM 0 H GLN A 86 8.606 11.072 -11.268 1.00 0.00 H new ATOM 0 HA GLN A 86 7.954 13.316 -9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.533 10.653 -10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.799 11.994 -9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.116 13.436 -11.361 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.772 12.051 -12.211 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.757 13.015 -13.560 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.246 12.140 -13.290 1.00 0.00 H new ATOM 1280 N GLN A 87 8.610 10.559 -7.951 1.00 0.00 N ATOM 1281 CA GLN A 87 8.902 10.096 -6.582 1.00 0.00 C ATOM 1282 C GLN A 87 10.134 10.810 -6.010 1.00 0.00 C ATOM 1283 O GLN A 87 10.102 11.312 -4.881 1.00 0.00 O ATOM 1284 CB GLN A 87 9.090 8.570 -6.575 1.00 0.00 C ATOM 1285 CG GLN A 87 7.799 7.813 -6.937 1.00 0.00 C ATOM 1286 CD GLN A 87 7.972 6.291 -7.004 1.00 0.00 C ATOM 1287 OE1 GLN A 87 9.038 5.724 -6.793 1.00 0.00 O ATOM 1288 NE2 GLN A 87 6.917 5.560 -7.303 1.00 0.00 N ATOM 0 H GLN A 87 8.741 9.846 -8.669 1.00 0.00 H new ATOM 0 HA GLN A 87 8.056 10.344 -5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.875 8.301 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.428 8.254 -5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.031 8.050 -6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.437 8.171 -7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.019 6.010 -7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.998 4.545 -7.355 1.00 0.00 H new ATOM 1297 N ILE A 88 11.187 10.922 -6.832 1.00 0.00 N ATOM 1298 CA ILE A 88 12.417 11.655 -6.499 1.00 0.00 C ATOM 1299 C ILE A 88 12.102 13.123 -6.204 1.00 0.00 C ATOM 1300 O ILE A 88 12.484 13.622 -5.149 1.00 0.00 O ATOM 1301 CB ILE A 88 13.450 11.511 -7.648 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.869 10.043 -7.892 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.700 12.383 -7.430 1.00 0.00 C ATOM 1304 CD1 ILE A 88 14.610 9.344 -6.748 1.00 0.00 C ATOM 0 H ILE A 88 11.209 10.500 -7.760 1.00 0.00 H new ATOM 0 HA ILE A 88 12.856 11.227 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 88 12.936 11.869 -8.540 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.973 9.466 -8.121 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.503 10.012 -8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.390 12.245 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.407 13.431 -7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 88 15.189 12.091 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.849 8.322 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.531 9.883 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.978 9.329 -5.860 1.00 0.00 H new ATOM 1316 N LEU A 89 11.347 13.808 -7.078 1.00 0.00 N ATOM 1317 CA LEU A 89 11.000 15.215 -6.870 1.00 0.00 C ATOM 1318 C LEU A 89 10.120 15.397 -5.637 1.00 0.00 C ATOM 1319 O LEU A 89 10.424 16.254 -4.818 1.00 0.00 O ATOM 1320 CB LEU A 89 10.359 15.782 -8.158 1.00 0.00 C ATOM 1321 CG LEU A 89 10.055 17.297 -8.214 1.00 0.00 C ATOM 1322 CD1 LEU A 89 8.750 17.690 -7.520 1.00 0.00 C ATOM 1323 CD2 LEU A 89 11.184 18.163 -7.646 1.00 0.00 C ATOM 0 H LEU A 89 10.967 13.406 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 89 11.907 15.786 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.019 15.543 -8.992 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.424 15.248 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 89 9.955 17.492 -9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.605 18.767 -7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.915 17.175 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.798 17.408 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.906 19.215 -7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.353 17.901 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.097 17.990 -8.216 1.00 0.00 H new ATOM 1335 N ASN A 90 9.081 14.581 -5.445 1.00 0.00 N ATOM 1336 CA ASN A 90 8.188 14.729 -4.298 1.00 0.00 C ATOM 1337 C ASN A 90 8.945 14.552 -2.974 1.00 0.00 C ATOM 1338 O ASN A 90 8.906 15.452 -2.139 1.00 0.00 O ATOM 1339 CB ASN A 90 6.986 13.776 -4.435 1.00 0.00 C ATOM 1340 CG ASN A 90 5.871 14.081 -3.443 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.717 15.192 -2.956 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.034 13.118 -3.138 1.00 0.00 N ATOM 0 H ASN A 90 8.839 13.812 -6.070 1.00 0.00 H new ATOM 0 HA ASN A 90 7.794 15.745 -4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.591 13.841 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.324 12.750 -4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.260 13.298 -2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.157 12.189 -3.541 1.00 0.00 H new ATOM 1349 N ARG A 91 9.740 13.484 -2.803 1.00 0.00 N ATOM 1350 CA ARG A 91 10.481 13.285 -1.540 1.00 0.00 C ATOM 1351 C ARG A 91 11.628 14.289 -1.350 1.00 0.00 C ATOM 1352 O ARG A 91 11.848 14.730 -0.225 1.00 0.00 O ATOM 1353 CB ARG A 91 10.887 11.803 -1.410 1.00 0.00 C ATOM 1354 CG ARG A 91 11.560 11.398 -0.081 1.00 0.00 C ATOM 1355 CD ARG A 91 10.880 11.894 1.211 1.00 0.00 C ATOM 1356 NE ARG A 91 9.415 11.705 1.215 1.00 0.00 N ATOM 1357 CZ ARG A 91 8.689 10.769 1.790 1.00 0.00 C ATOM 1358 NH1 ARG A 91 9.195 9.742 2.414 1.00 0.00 N ATOM 1359 NH2 ARG A 91 7.399 10.900 1.734 1.00 0.00 N ATOM 0 H ARG A 91 9.887 12.758 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 91 9.822 13.509 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.996 11.190 -1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.567 11.560 -2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.614 10.310 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.585 11.767 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.309 11.367 2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.102 12.953 1.346 1.00 0.00 H new ATOM 0 HE ARG A 91 8.886 12.405 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.207 9.631 2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.579 9.050 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.988 11.703 1.259 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.796 10.199 2.165 1.00 0.00 H new ATOM 1373 N LEU A 92 12.270 14.755 -2.425 1.00 0.00 N ATOM 1374 CA LEU A 92 13.262 15.836 -2.341 1.00 0.00 C ATOM 1375 C LEU A 92 12.614 17.182 -1.963 1.00 0.00 C ATOM 1376 O LEU A 92 13.148 17.906 -1.124 1.00 0.00 O ATOM 1377 CB LEU A 92 14.009 15.896 -3.687 1.00 0.00 C ATOM 1378 CG LEU A 92 15.187 16.878 -3.757 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.340 16.475 -2.837 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.704 16.903 -5.191 1.00 0.00 C ATOM 0 H LEU A 92 12.121 14.400 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 92 13.974 15.630 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.379 14.898 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.294 16.161 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 92 14.828 17.855 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.147 17.203 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.989 16.445 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.707 15.490 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.543 17.596 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.033 15.904 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.907 17.228 -5.860 1.00 0.00 H new ATOM 1392 N ARG A 93 11.431 17.487 -2.516 1.00 0.00 N ATOM 1393 CA ARG A 93 10.637 18.686 -2.191 1.00 0.00 C ATOM 1394 C ARG A 93 10.155 18.646 -0.743 1.00 0.00 C ATOM 1395 O ARG A 93 10.276 19.642 -0.046 1.00 0.00 O ATOM 1396 CB ARG A 93 9.463 18.777 -3.183 1.00 0.00 C ATOM 1397 CG ARG A 93 8.538 19.995 -2.981 1.00 0.00 C ATOM 1398 CD ARG A 93 7.204 19.821 -3.727 1.00 0.00 C ATOM 1399 NE ARG A 93 6.406 18.705 -3.165 1.00 0.00 N ATOM 1400 CZ ARG A 93 5.685 18.703 -2.057 1.00 0.00 C ATOM 1401 NH1 ARG A 93 5.497 19.767 -1.332 1.00 0.00 N ATOM 1402 NH2 ARG A 93 5.121 17.615 -1.634 1.00 0.00 N ATOM 0 H ARG A 93 10.988 16.895 -3.218 1.00 0.00 H new ATOM 0 HA ARG A 93 11.255 19.579 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.863 18.807 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.867 17.868 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.345 20.134 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.039 20.896 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.630 20.746 -3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.399 19.634 -4.783 1.00 0.00 H new ATOM 0 HE ARG A 93 6.414 17.835 -3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.915 20.655 -1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.932 19.713 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.231 16.747 -2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.567 17.627 -0.777 1.00 0.00 H new ATOM 1416 N GLU A 94 9.688 17.495 -0.263 1.00 0.00 N ATOM 1417 CA GLU A 94 9.291 17.336 1.140 1.00 0.00 C ATOM 1418 C GLU A 94 10.481 17.587 2.082 1.00 0.00 C ATOM 1419 O GLU A 94 10.399 18.449 2.958 1.00 0.00 O ATOM 1420 CB GLU A 94 8.692 15.941 1.375 1.00 0.00 C ATOM 1421 CG GLU A 94 7.305 15.796 0.740 1.00 0.00 C ATOM 1422 CD GLU A 94 6.733 14.393 0.996 1.00 0.00 C ATOM 1423 OE1 GLU A 94 7.307 13.392 0.501 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.720 14.272 1.726 1.00 0.00 O ATOM 0 H GLU A 94 9.574 16.653 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 94 8.526 18.080 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.360 15.185 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.621 15.753 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.632 16.549 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.370 15.977 -0.333 1.00 0.00 H new ATOM 1431 N ARG A 95 11.619 16.914 1.842 1.00 0.00 N ATOM 1432 CA ARG A 95 12.822 17.059 2.682 1.00 0.00 C ATOM 1433 C ARG A 95 13.392 18.486 2.698 1.00 0.00 C ATOM 1434 O ARG A 95 13.797 18.967 3.757 1.00 0.00 O ATOM 1435 CB ARG A 95 13.870 16.028 2.229 1.00 0.00 C ATOM 1436 CG ARG A 95 15.137 16.078 3.101 1.00 0.00 C ATOM 1437 CD ARG A 95 16.080 14.921 2.782 1.00 0.00 C ATOM 1438 NE ARG A 95 15.556 13.636 3.277 1.00 0.00 N ATOM 1439 CZ ARG A 95 15.929 12.439 2.860 1.00 0.00 C ATOM 1440 NH1 ARG A 95 16.829 12.242 1.947 1.00 0.00 N ATOM 1441 NH2 ARG A 95 15.393 11.367 3.355 1.00 0.00 N ATOM 0 H ARG A 95 11.732 16.260 1.068 1.00 0.00 H new ATOM 0 HA ARG A 95 12.536 16.865 3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.438 15.028 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.137 16.215 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.653 17.025 2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.857 16.041 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.230 14.861 1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.055 15.113 3.230 1.00 0.00 H new ATOM 0 HE ARG A 95 14.843 13.674 4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.293 13.037 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.073 11.292 1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.674 11.442 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.690 10.449 3.024 1.00 0.00 H new ATOM 1455 N VAL A 96 13.430 19.159 1.544 1.00 0.00 N ATOM 1456 CA VAL A 96 14.050 20.493 1.404 1.00 0.00 C ATOM 1457 C VAL A 96 13.084 21.639 1.738 1.00 0.00 C ATOM 1458 O VAL A 96 13.490 22.606 2.387 1.00 0.00 O ATOM 1459 CB VAL A 96 14.665 20.656 0.001 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.216 22.065 -0.249 1.00 0.00 C ATOM 1461 CG2 VAL A 96 15.833 19.676 -0.189 1.00 0.00 C ATOM 0 H VAL A 96 13.033 18.799 0.676 1.00 0.00 H new ATOM 0 HA VAL A 96 14.850 20.555 2.141 1.00 0.00 H new ATOM 0 HB VAL A 96 13.855 20.459 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 96 15.636 22.118 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.410 22.793 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.994 22.286 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.257 19.804 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.600 19.874 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.472 18.654 -0.077 1.00 0.00 H new ATOM 1471 N SER A 97 11.813 21.536 1.335 1.00 0.00 N ATOM 1472 CA SER A 97 10.830 22.631 1.390 1.00 0.00 C ATOM 1473 C SER A 97 9.691 22.427 2.412 1.00 0.00 C ATOM 1474 O SER A 97 8.970 23.386 2.706 1.00 0.00 O ATOM 1475 CB SER A 97 10.236 22.898 -0.003 1.00 0.00 C ATOM 1476 OG SER A 97 11.269 23.104 -0.963 1.00 0.00 O ATOM 0 H SER A 97 11.428 20.672 0.953 1.00 0.00 H new ATOM 0 HA SER A 97 11.393 23.497 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.615 22.055 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.588 23.774 0.035 1.00 0.00 H new ATOM 0 HG SER A 97 10.870 23.270 -1.842 1.00 0.00 H new