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 Set 1.1: A 25 THR OG1 : rot -72:sc= 1.15 USER MOD Set 1.2: A 27 SER OG : rot 109:sc= 0.747 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 31 GLN : amide:sc= 0.105 K(o=0.11,f=-1.6) USER MOD Single : A 36 MET CE :methyl 180:sc= -0.222 (180deg=-0.222) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -90:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -32:sc= 0.271 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0.575 K(o=0.58,f=-5.1!) USER MOD Single : A 90 ASN : amide:sc= 0.51 K(o=0.51,f=-4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.607 3.216 -0.490 1.00 0.00 N ATOM 197 CA GLU A 13 14.357 2.992 -1.736 1.00 0.00 C ATOM 198 C GLU A 13 14.459 4.277 -2.573 1.00 0.00 C ATOM 199 O GLU A 13 15.481 4.520 -3.211 1.00 0.00 O ATOM 200 CB GLU A 13 13.698 1.868 -2.548 1.00 0.00 C ATOM 201 CG GLU A 13 13.740 0.515 -1.827 1.00 0.00 C ATOM 202 CD GLU A 13 13.128 -0.592 -2.707 1.00 0.00 C ATOM 203 OE1 GLU A 13 13.869 -1.216 -3.508 1.00 0.00 O ATOM 204 OE2 GLU A 13 11.907 -0.857 -2.601 1.00 0.00 O ATOM 0 HA GLU A 13 15.372 2.694 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.661 2.134 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.201 1.778 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.771 0.261 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.194 0.582 -0.886 1.00 0.00 H new ATOM 211 N VAL A 14 13.435 5.141 -2.525 1.00 0.00 N ATOM 212 CA VAL A 14 13.463 6.466 -3.174 1.00 0.00 C ATOM 213 C VAL A 14 14.434 7.415 -2.458 1.00 0.00 C ATOM 214 O VAL A 14 15.220 8.097 -3.113 1.00 0.00 O ATOM 215 CB VAL A 14 12.055 7.087 -3.267 1.00 0.00 C ATOM 216 CG1 VAL A 14 12.085 8.369 -4.106 1.00 0.00 C ATOM 217 CG2 VAL A 14 11.039 6.143 -3.929 1.00 0.00 C ATOM 0 H VAL A 14 12.562 4.944 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 14 13.824 6.318 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 14 11.751 7.289 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.082 8.792 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.759 9.090 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.436 8.137 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.064 6.629 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.368 5.905 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.963 5.224 -3.347 1.00 0.00 H new ATOM 227 N ASP A 15 14.432 7.428 -1.122 1.00 0.00 N ATOM 228 CA ASP A 15 15.379 8.201 -0.309 1.00 0.00 C ATOM 229 C ASP A 15 16.832 7.751 -0.551 1.00 0.00 C ATOM 230 O ASP A 15 17.712 8.584 -0.775 1.00 0.00 O ATOM 231 CB ASP A 15 14.997 8.045 1.168 1.00 0.00 C ATOM 232 CG ASP A 15 15.821 8.981 2.064 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.974 8.649 2.423 1.00 0.00 O ATOM 234 OD2 ASP A 15 15.327 10.082 2.389 1.00 0.00 O ATOM 0 H ASP A 15 13.764 6.895 -0.566 1.00 0.00 H new ATOM 0 HA ASP A 15 15.323 9.251 -0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.936 8.259 1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.153 7.012 1.478 1.00 0.00 H new ATOM 239 N GLU A 16 17.065 6.435 -0.608 1.00 0.00 N ATOM 240 CA GLU A 16 18.354 5.848 -0.980 1.00 0.00 C ATOM 241 C GLU A 16 18.779 6.231 -2.408 1.00 0.00 C ATOM 242 O GLU A 16 19.935 6.600 -2.618 1.00 0.00 O ATOM 243 CB GLU A 16 18.280 4.321 -0.808 1.00 0.00 C ATOM 244 CG GLU A 16 19.572 3.618 -1.241 1.00 0.00 C ATOM 245 CD GLU A 16 19.508 2.110 -0.925 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.968 1.334 -1.751 1.00 0.00 O ATOM 247 OE2 GLU A 16 20.005 1.687 0.148 1.00 0.00 O ATOM 0 H GLU A 16 16.351 5.739 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 16 19.121 6.251 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.075 4.086 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.446 3.933 -1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.730 3.764 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.424 4.066 -0.729 1.00 0.00 H new ATOM 254 N ALA A 17 17.867 6.207 -3.386 1.00 0.00 N ATOM 255 CA ALA A 17 18.178 6.603 -4.760 1.00 0.00 C ATOM 256 C ALA A 17 18.521 8.105 -4.865 1.00 0.00 C ATOM 257 O ALA A 17 19.479 8.479 -5.549 1.00 0.00 O ATOM 258 CB ALA A 17 16.999 6.230 -5.666 1.00 0.00 C ATOM 0 H ALA A 17 16.900 5.914 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 17 19.068 6.066 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.222 6.522 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.833 5.154 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 17 16.102 6.749 -5.328 1.00 0.00 H new ATOM 264 N ILE A 18 17.796 8.961 -4.133 1.00 0.00 N ATOM 265 CA ILE A 18 18.113 10.392 -3.998 1.00 0.00 C ATOM 266 C ILE A 18 19.512 10.585 -3.396 1.00 0.00 C ATOM 267 O ILE A 18 20.314 11.326 -3.959 1.00 0.00 O ATOM 268 CB ILE A 18 16.993 11.106 -3.197 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.789 11.340 -4.137 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.466 12.428 -2.556 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.499 11.785 -3.435 1.00 0.00 C ATOM 0 H ILE A 18 16.965 8.679 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 18 18.145 10.858 -4.983 1.00 0.00 H new ATOM 0 HB ILE A 18 16.701 10.464 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.063 12.095 -4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.589 10.418 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.640 12.883 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.289 12.226 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.804 13.110 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.711 11.924 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.193 11.023 -2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.675 12.725 -2.912 1.00 0.00 H new ATOM 283 N ASP A 19 19.846 9.888 -2.306 1.00 0.00 N ATOM 284 CA ASP A 19 21.171 9.990 -1.683 1.00 0.00 C ATOM 285 C ASP A 19 22.295 9.423 -2.574 1.00 0.00 C ATOM 286 O ASP A 19 23.393 9.975 -2.621 1.00 0.00 O ATOM 287 CB ASP A 19 21.160 9.306 -0.309 1.00 0.00 C ATOM 288 CG ASP A 19 22.029 10.082 0.687 1.00 0.00 C ATOM 289 OD1 ASP A 19 21.471 10.988 1.354 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.241 9.791 0.801 1.00 0.00 O ATOM 0 H ASP A 19 19.213 9.243 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 19 21.389 11.050 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.138 9.243 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.528 8.284 -0.402 1.00 0.00 H new ATOM 295 N ASN A 20 22.019 8.369 -3.347 1.00 0.00 N ATOM 296 CA ASN A 20 22.950 7.826 -4.336 1.00 0.00 C ATOM 297 C ASN A 20 23.240 8.830 -5.467 1.00 0.00 C ATOM 298 O ASN A 20 24.404 9.017 -5.818 1.00 0.00 O ATOM 299 CB ASN A 20 22.395 6.491 -4.864 1.00 0.00 C ATOM 300 CG ASN A 20 23.323 5.855 -5.888 1.00 0.00 C ATOM 301 OD1 ASN A 20 23.146 5.986 -7.089 1.00 0.00 O ATOM 302 ND2 ASN A 20 24.350 5.164 -5.445 1.00 0.00 N ATOM 0 H ASN A 20 21.134 7.865 -3.302 1.00 0.00 H new ATOM 0 HA ASN A 20 23.912 7.641 -3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.249 5.804 -4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.417 6.658 -5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 20 25.000 4.737 -6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.497 5.055 -4.441 1.00 0.00 H new ATOM 309 N ILE A 21 22.223 9.543 -5.972 1.00 0.00 N ATOM 310 CA ILE A 21 22.404 10.644 -6.938 1.00 0.00 C ATOM 311 C ILE A 21 23.190 11.805 -6.316 1.00 0.00 C ATOM 312 O ILE A 21 24.123 12.325 -6.930 1.00 0.00 O ATOM 313 CB ILE A 21 21.029 11.094 -7.498 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.520 10.045 -8.509 1.00 0.00 C ATOM 315 CG2 ILE A 21 21.131 12.479 -8.165 1.00 0.00 C ATOM 316 CD1 ILE A 21 19.028 10.188 -8.843 1.00 0.00 C ATOM 0 H ILE A 21 21.248 9.374 -5.723 1.00 0.00 H new ATOM 0 HA ILE A 21 23.000 10.283 -7.777 1.00 0.00 H new ATOM 0 HB ILE A 21 20.322 11.174 -6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 21 21.099 10.128 -9.429 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.700 9.048 -8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 21 20.154 12.771 -8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.466 13.212 -7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.845 12.435 -8.987 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.740 9.418 -9.559 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.439 10.076 -7.933 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.844 11.172 -9.275 1.00 0.00 H new ATOM 328 N LEU A 22 22.854 12.174 -5.080 1.00 0.00 N ATOM 329 CA LEU A 22 23.523 13.230 -4.318 1.00 0.00 C ATOM 330 C LEU A 22 25.033 12.948 -4.158 1.00 0.00 C ATOM 331 O LEU A 22 25.858 13.839 -4.379 1.00 0.00 O ATOM 332 CB LEU A 22 22.792 13.302 -2.965 1.00 0.00 C ATOM 333 CG LEU A 22 23.161 14.476 -2.055 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.566 15.775 -2.592 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.589 14.231 -0.657 1.00 0.00 C ATOM 0 H LEU A 22 22.089 11.736 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 22 23.472 14.188 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.720 13.342 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.984 12.376 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 22 24.247 14.558 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 22 22.838 16.600 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 22 22.954 15.967 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.480 15.688 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.850 15.065 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.504 14.144 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.005 13.309 -0.250 1.00 0.00 H new ATOM 347 N ARG A 23 25.393 11.691 -3.851 1.00 0.00 N ATOM 348 CA ARG A 23 26.790 11.228 -3.743 1.00 0.00 C ATOM 349 C ARG A 23 27.484 11.139 -5.109 1.00 0.00 C ATOM 350 O ARG A 23 28.588 11.654 -5.265 1.00 0.00 O ATOM 351 CB ARG A 23 26.829 9.872 -2.999 1.00 0.00 C ATOM 352 CG ARG A 23 27.993 9.763 -1.998 1.00 0.00 C ATOM 353 CD ARG A 23 27.746 10.561 -0.705 1.00 0.00 C ATOM 354 NE ARG A 23 26.638 9.990 0.091 1.00 0.00 N ATOM 355 CZ ARG A 23 26.711 9.061 1.029 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.835 8.496 1.376 1.00 0.00 N ATOM 357 NH2 ARG A 23 25.629 8.679 1.636 1.00 0.00 N ATOM 0 H ARG A 23 24.712 10.954 -3.668 1.00 0.00 H new ATOM 0 HA ARG A 23 27.349 11.967 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 23 25.888 9.729 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 23 26.909 9.067 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 23 28.153 8.714 -1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.907 10.121 -2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 23 28.656 10.572 -0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.517 11.597 -0.956 1.00 0.00 H new ATOM 0 HE ARG A 23 25.707 10.356 -0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.705 8.767 0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.844 7.783 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 23 24.731 9.095 1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.677 7.963 2.361 1.00 0.00 H new ATOM 371 N TYR A 24 26.821 10.544 -6.105 1.00 0.00 N ATOM 372 CA TYR A 24 27.348 10.357 -7.465 1.00 0.00 C ATOM 373 C TYR A 24 27.699 11.685 -8.157 1.00 0.00 C ATOM 374 O TYR A 24 28.770 11.813 -8.754 1.00 0.00 O ATOM 375 CB TYR A 24 26.311 9.577 -8.288 1.00 0.00 C ATOM 376 CG TYR A 24 26.559 9.551 -9.789 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.707 8.921 -10.307 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.644 10.173 -10.663 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.945 8.918 -11.696 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.876 10.167 -12.049 1.00 0.00 C ATOM 381 CZ TYR A 24 27.030 9.546 -12.572 1.00 0.00 C ATOM 382 OH TYR A 24 27.240 9.548 -13.919 1.00 0.00 O ATOM 0 H TYR A 24 25.880 10.169 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 24 28.281 9.797 -7.395 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.280 8.550 -7.924 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.327 10.010 -8.106 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.406 8.440 -9.639 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.763 10.655 -10.266 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.827 8.436 -12.092 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.169 10.639 -12.716 1.00 0.00 H new ATOM 0 HH TYR A 24 26.508 10.025 -14.363 1.00 0.00 H new ATOM 392 N THR A 25 26.822 12.689 -8.045 1.00 0.00 N ATOM 393 CA THR A 25 27.050 14.015 -8.649 1.00 0.00 C ATOM 394 C THR A 25 27.929 14.940 -7.790 1.00 0.00 C ATOM 395 O THR A 25 28.300 16.019 -8.252 1.00 0.00 O ATOM 396 CB THR A 25 25.735 14.719 -9.001 1.00 0.00 C ATOM 397 OG1 THR A 25 25.020 15.029 -7.828 1.00 0.00 O ATOM 398 CG2 THR A 25 24.812 13.913 -9.912 1.00 0.00 C ATOM 0 H THR A 25 25.940 12.611 -7.538 1.00 0.00 H new ATOM 0 HA THR A 25 27.600 13.814 -9.569 1.00 0.00 H new ATOM 0 HB THR A 25 26.032 15.615 -9.545 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.653 14.207 -7.441 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.906 14.485 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.322 13.703 -10.852 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.549 12.974 -9.425 1.00 0.00 H new ATOM 406 N ASN A 26 28.267 14.531 -6.557 1.00 0.00 N ATOM 407 CA ASN A 26 29.006 15.330 -5.570 1.00 0.00 C ATOM 408 C ASN A 26 28.329 16.692 -5.323 1.00 0.00 C ATOM 409 O ASN A 26 28.893 17.758 -5.596 1.00 0.00 O ATOM 410 CB ASN A 26 30.501 15.390 -5.948 1.00 0.00 C ATOM 411 CG ASN A 26 31.379 15.971 -4.846 1.00 0.00 C ATOM 412 OD1 ASN A 26 30.974 16.168 -3.706 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.628 16.245 -5.144 1.00 0.00 N ATOM 0 H ASN A 26 28.025 13.603 -6.209 1.00 0.00 H new ATOM 0 HA ASN A 26 28.972 14.842 -4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.849 14.385 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.617 15.991 -6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.253 16.619 -4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.974 16.084 -6.090 1.00 0.00 H new ATOM 420 N SER A 27 27.070 16.640 -4.873 1.00 0.00 N ATOM 421 CA SER A 27 26.203 17.818 -4.712 1.00 0.00 C ATOM 422 C SER A 27 25.623 17.982 -3.311 1.00 0.00 C ATOM 423 O SER A 27 25.519 17.025 -2.546 1.00 0.00 O ATOM 424 CB SER A 27 25.072 17.783 -5.744 1.00 0.00 C ATOM 425 OG SER A 27 25.636 17.740 -7.042 1.00 0.00 O ATOM 0 H SER A 27 26.616 15.766 -4.606 1.00 0.00 H new ATOM 0 HA SER A 27 26.844 18.684 -4.876 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.438 16.911 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.438 18.663 -5.638 1.00 0.00 H new ATOM 0 HG SER A 27 25.495 16.852 -7.431 1.00 0.00 H new ATOM 431 N THR A 28 25.216 19.213 -2.988 1.00 0.00 N ATOM 432 CA THR A 28 24.418 19.505 -1.783 1.00 0.00 C ATOM 433 C THR A 28 22.936 19.254 -2.063 1.00 0.00 C ATOM 434 O THR A 28 22.492 19.241 -3.215 1.00 0.00 O ATOM 435 CB THR A 28 24.632 20.941 -1.288 1.00 0.00 C ATOM 436 OG1 THR A 28 24.098 21.830 -2.241 1.00 0.00 O ATOM 437 CG2 THR A 28 26.100 21.307 -1.103 1.00 0.00 C ATOM 0 H THR A 28 25.428 20.037 -3.550 1.00 0.00 H new ATOM 0 HA THR A 28 24.755 18.835 -0.992 1.00 0.00 H new ATOM 0 HB THR A 28 24.141 21.013 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.227 22.752 -1.936 1.00 0.00 H new ATOM 0 HG21 THR A 28 26.177 22.336 -0.752 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.552 20.638 -0.370 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.622 21.209 -2.055 1.00 0.00 H new ATOM 445 N GLU A 29 22.125 19.077 -1.019 1.00 0.00 N ATOM 446 CA GLU A 29 20.684 18.854 -1.198 1.00 0.00 C ATOM 447 C GLU A 29 19.974 20.083 -1.780 1.00 0.00 C ATOM 448 O GLU A 29 19.078 19.936 -2.610 1.00 0.00 O ATOM 449 CB GLU A 29 20.058 18.405 0.127 1.00 0.00 C ATOM 450 CG GLU A 29 20.508 16.988 0.494 1.00 0.00 C ATOM 451 CD GLU A 29 19.627 16.380 1.594 1.00 0.00 C ATOM 452 OE1 GLU A 29 19.744 16.798 2.771 1.00 0.00 O ATOM 453 OE2 GLU A 29 18.834 15.457 1.280 1.00 0.00 O ATOM 0 H GLU A 29 22.435 19.083 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 29 20.552 18.058 -1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.341 19.097 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.971 18.437 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.473 16.354 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.545 17.011 0.829 1.00 0.00 H new ATOM 460 N GLN A 30 20.432 21.295 -1.442 1.00 0.00 N ATOM 461 CA GLN A 30 19.939 22.524 -2.076 1.00 0.00 C ATOM 462 C GLN A 30 20.345 22.629 -3.558 1.00 0.00 C ATOM 463 O GLN A 30 19.524 23.059 -4.369 1.00 0.00 O ATOM 464 CB GLN A 30 20.314 23.765 -1.244 1.00 0.00 C ATOM 465 CG GLN A 30 21.819 24.077 -1.136 1.00 0.00 C ATOM 466 CD GLN A 30 22.126 25.329 -0.300 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.256 26.014 0.226 1.00 0.00 O ATOM 468 NE2 GLN A 30 23.386 25.684 -0.142 1.00 0.00 N ATOM 0 H GLN A 30 21.146 21.451 -0.730 1.00 0.00 H new ATOM 0 HA GLN A 30 18.850 22.477 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 30 19.814 24.632 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.917 23.636 -0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 30 22.329 23.221 -0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 30 22.228 24.209 -2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 30 24.129 25.131 -0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 30 23.618 26.511 0.408 1.00 0.00 H new ATOM 477 N GLN A 31 21.540 22.160 -3.951 1.00 0.00 N ATOM 478 CA GLN A 31 21.926 22.082 -5.370 1.00 0.00 C ATOM 479 C GLN A 31 21.043 21.094 -6.144 1.00 0.00 C ATOM 480 O GLN A 31 20.585 21.416 -7.239 1.00 0.00 O ATOM 481 CB GLN A 31 23.405 21.674 -5.511 1.00 0.00 C ATOM 482 CG GLN A 31 24.388 22.819 -5.218 1.00 0.00 C ATOM 483 CD GLN A 31 25.837 22.339 -5.087 1.00 0.00 C ATOM 484 OE1 GLN A 31 26.177 21.179 -5.299 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.759 23.213 -4.756 1.00 0.00 N ATOM 0 H GLN A 31 22.257 21.829 -3.305 1.00 0.00 H new ATOM 0 HA GLN A 31 21.784 23.075 -5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.611 20.846 -4.833 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.578 21.308 -6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 31 24.326 23.558 -6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 31 24.091 23.320 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 31 26.501 24.183 -4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.734 22.922 -4.680 1.00 0.00 H new ATOM 494 N PHE A 32 20.758 19.908 -5.587 1.00 0.00 N ATOM 495 CA PHE A 32 19.915 18.912 -6.266 1.00 0.00 C ATOM 496 C PHE A 32 18.446 19.360 -6.342 1.00 0.00 C ATOM 497 O PHE A 32 17.830 19.250 -7.401 1.00 0.00 O ATOM 498 CB PHE A 32 20.097 17.532 -5.606 1.00 0.00 C ATOM 499 CG PHE A 32 19.398 16.335 -6.251 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.956 16.341 -7.595 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.229 15.162 -5.493 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.320 15.217 -8.147 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.608 14.029 -6.052 1.00 0.00 C ATOM 504 CZ PHE A 32 18.132 14.063 -7.372 1.00 0.00 C ATOM 0 H PHE A 32 21.098 19.615 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 32 20.241 18.822 -7.302 1.00 0.00 H new ATOM 0 HB2 PHE A 32 21.165 17.316 -5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.751 17.606 -4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.109 17.220 -8.203 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.579 15.130 -4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.975 15.241 -9.170 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.497 13.130 -5.463 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.624 13.206 -7.789 1.00 0.00 H new ATOM 514 N LEU A 33 17.907 19.957 -5.274 1.00 0.00 N ATOM 515 CA LEU A 33 16.569 20.558 -5.287 1.00 0.00 C ATOM 516 C LEU A 33 16.472 21.666 -6.346 1.00 0.00 C ATOM 517 O LEU A 33 15.575 21.636 -7.180 1.00 0.00 O ATOM 518 CB LEU A 33 16.222 21.007 -3.850 1.00 0.00 C ATOM 519 CG LEU A 33 14.804 21.541 -3.564 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.585 22.977 -4.046 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.706 20.643 -4.137 1.00 0.00 C ATOM 0 H LEU A 33 18.385 20.037 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 33 15.815 19.831 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.396 20.159 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.932 21.784 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 33 14.731 21.535 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.567 23.288 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.291 23.640 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.741 23.027 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.730 21.069 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.823 20.571 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.782 19.649 -3.697 1.00 0.00 H new ATOM 533 N GLU A 34 17.439 22.581 -6.387 1.00 0.00 N ATOM 534 CA GLU A 34 17.488 23.660 -7.386 1.00 0.00 C ATOM 535 C GLU A 34 17.596 23.133 -8.826 1.00 0.00 C ATOM 536 O GLU A 34 16.875 23.596 -9.708 1.00 0.00 O ATOM 537 CB GLU A 34 18.634 24.628 -7.045 1.00 0.00 C ATOM 538 CG GLU A 34 18.672 25.849 -7.969 1.00 0.00 C ATOM 539 CD GLU A 34 19.761 26.838 -7.516 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.934 26.688 -7.933 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.452 27.785 -6.751 1.00 0.00 O ATOM 0 H GLU A 34 18.217 22.599 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 34 16.542 24.201 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.527 24.962 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.584 24.098 -7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.866 25.531 -8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.701 26.343 -7.967 1.00 0.00 H new ATOM 548 N ALA A 35 18.430 22.120 -9.063 1.00 0.00 N ATOM 549 CA ALA A 35 18.549 21.469 -10.371 1.00 0.00 C ATOM 550 C ALA A 35 17.241 20.772 -10.796 1.00 0.00 C ATOM 551 O ALA A 35 16.871 20.817 -11.969 1.00 0.00 O ATOM 552 CB ALA A 35 19.729 20.486 -10.325 1.00 0.00 C ATOM 0 H ALA A 35 19.045 21.725 -8.351 1.00 0.00 H new ATOM 0 HA ALA A 35 18.738 22.229 -11.129 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.830 19.993 -11.292 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.646 21.029 -10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.549 19.737 -9.554 1.00 0.00 H new ATOM 558 N MET A 36 16.503 20.170 -9.858 1.00 0.00 N ATOM 559 CA MET A 36 15.200 19.549 -10.134 1.00 0.00 C ATOM 560 C MET A 36 14.084 20.579 -10.368 1.00 0.00 C ATOM 561 O MET A 36 13.289 20.399 -11.288 1.00 0.00 O ATOM 562 CB MET A 36 14.870 18.571 -8.998 1.00 0.00 C ATOM 563 CG MET A 36 15.658 17.266 -9.169 1.00 0.00 C ATOM 564 SD MET A 36 15.019 16.172 -10.469 1.00 0.00 S ATOM 565 CE MET A 36 13.611 15.443 -9.589 1.00 0.00 C ATOM 0 H MET A 36 16.792 20.099 -8.882 1.00 0.00 H new ATOM 0 HA MET A 36 15.266 18.998 -11.072 1.00 0.00 H new ATOM 0 HB2 MET A 36 15.111 19.025 -8.037 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.801 18.359 -8.991 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.697 17.509 -9.393 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.654 16.726 -8.222 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.098 14.739 -10.244 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.968 14.920 -8.702 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.920 16.232 -9.291 1.00 0.00 H new ATOM 575 N GLU A 37 14.056 21.692 -9.634 1.00 0.00 N ATOM 576 CA GLU A 37 13.127 22.802 -9.909 1.00 0.00 C ATOM 577 C GLU A 37 13.413 23.476 -11.265 1.00 0.00 C ATOM 578 O GLU A 37 12.488 23.767 -12.023 1.00 0.00 O ATOM 579 CB GLU A 37 13.191 23.856 -8.787 1.00 0.00 C ATOM 580 CG GLU A 37 12.644 23.386 -7.433 1.00 0.00 C ATOM 581 CD GLU A 37 11.166 22.952 -7.455 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.344 23.475 -8.242 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.786 22.073 -6.652 1.00 0.00 O ATOM 0 H GLU A 37 14.670 21.854 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 37 12.126 22.372 -9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.228 24.165 -8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.633 24.737 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.249 22.550 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.762 24.192 -6.709 1.00 0.00 H new ATOM 590 N SER A 38 14.697 23.670 -11.600 1.00 0.00 N ATOM 591 CA SER A 38 15.139 24.274 -12.869 1.00 0.00 C ATOM 592 C SER A 38 14.848 23.398 -14.106 1.00 0.00 C ATOM 593 O SER A 38 14.724 23.909 -15.223 1.00 0.00 O ATOM 594 CB SER A 38 16.639 24.575 -12.764 1.00 0.00 C ATOM 595 OG SER A 38 17.089 25.362 -13.859 1.00 0.00 O ATOM 0 H SER A 38 15.470 23.408 -10.989 1.00 0.00 H new ATOM 0 HA SER A 38 14.566 25.189 -13.019 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.842 25.099 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.198 23.640 -12.733 1.00 0.00 H new ATOM 0 HG SER A 38 18.048 25.538 -13.763 1.00 0.00 H new ATOM 601 N THR A 39 14.677 22.082 -13.910 1.00 0.00 N ATOM 602 CA THR A 39 14.414 21.104 -14.990 1.00 0.00 C ATOM 603 C THR A 39 12.989 20.527 -14.981 1.00 0.00 C ATOM 604 O THR A 39 12.662 19.685 -15.820 1.00 0.00 O ATOM 605 CB THR A 39 15.452 19.971 -14.974 1.00 0.00 C ATOM 606 OG1 THR A 39 15.420 19.312 -13.736 1.00 0.00 O ATOM 607 CG2 THR A 39 16.873 20.474 -15.213 1.00 0.00 C ATOM 0 H THR A 39 14.717 21.655 -12.984 1.00 0.00 H new ATOM 0 HA THR A 39 14.506 21.667 -15.919 1.00 0.00 H new ATOM 0 HB THR A 39 15.188 19.293 -15.786 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.046 19.745 -13.119 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.565 19.632 -15.191 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.927 20.963 -16.185 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.143 21.186 -14.433 1.00 0.00 H new ATOM 615 N GLY A 40 12.126 20.960 -14.051 1.00 0.00 N ATOM 616 CA GLY A 40 10.740 20.479 -13.947 1.00 0.00 C ATOM 617 C GLY A 40 10.621 19.017 -13.487 1.00 0.00 C ATOM 618 O GLY A 40 9.684 18.321 -13.874 1.00 0.00 O ATOM 0 H GLY A 40 12.370 21.656 -13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.197 21.115 -13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.255 20.585 -14.917 1.00 0.00 H new ATOM 622 N GLY A 41 11.584 18.539 -12.691 1.00 0.00 N ATOM 623 CA GLY A 41 11.631 17.155 -12.193 1.00 0.00 C ATOM 624 C GLY A 41 12.233 16.128 -13.154 1.00 0.00 C ATOM 625 O GLY A 41 12.111 14.927 -12.910 1.00 0.00 O ATOM 0 H GLY A 41 12.366 19.110 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.206 17.140 -11.267 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.617 16.843 -11.944 1.00 0.00 H new ATOM 629 N ARG A 42 12.899 16.555 -14.237 1.00 0.00 N ATOM 630 CA ARG A 42 13.597 15.645 -15.173 1.00 0.00 C ATOM 631 C ARG A 42 14.929 15.209 -14.567 1.00 0.00 C ATOM 632 O ARG A 42 15.950 15.846 -14.799 1.00 0.00 O ATOM 633 CB ARG A 42 13.775 16.332 -16.548 1.00 0.00 C ATOM 634 CG ARG A 42 12.547 16.208 -17.461 1.00 0.00 C ATOM 635 CD ARG A 42 12.428 14.806 -18.083 1.00 0.00 C ATOM 636 NE ARG A 42 11.249 14.710 -18.972 1.00 0.00 N ATOM 637 CZ ARG A 42 11.159 15.002 -20.260 1.00 0.00 C ATOM 638 NH1 ARG A 42 12.170 15.448 -20.951 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.028 14.853 -20.887 1.00 0.00 N ATOM 0 H ARG A 42 12.972 17.540 -14.493 1.00 0.00 H new ATOM 0 HA ARG A 42 12.999 14.748 -15.336 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.996 17.388 -16.391 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.638 15.898 -17.053 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.646 16.428 -16.888 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.609 16.952 -18.255 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.332 14.579 -18.648 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.351 14.060 -17.292 1.00 0.00 H new ATOM 0 HE ARG A 42 10.391 14.374 -18.534 1.00 0.00 H new ATOM 0 HH11 ARG A 42 13.075 15.584 -20.501 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.056 15.661 -21.942 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.208 14.511 -20.386 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.961 15.079 -21.879 1.00 0.00 H new ATOM 653 N VAL A 43 14.932 14.083 -13.848 1.00 0.00 N ATOM 654 CA VAL A 43 16.119 13.578 -13.111 1.00 0.00 C ATOM 655 C VAL A 43 17.348 13.464 -14.017 1.00 0.00 C ATOM 656 O VAL A 43 18.420 13.892 -13.616 1.00 0.00 O ATOM 657 CB VAL A 43 15.826 12.235 -12.400 1.00 0.00 C ATOM 658 CG1 VAL A 43 17.015 11.753 -11.554 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.632 12.353 -11.442 1.00 0.00 C ATOM 0 H VAL A 43 14.111 13.485 -13.753 1.00 0.00 H new ATOM 0 HA VAL A 43 16.346 14.316 -12.341 1.00 0.00 H new ATOM 0 HB VAL A 43 15.618 11.527 -13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.761 10.807 -11.075 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.885 11.613 -12.196 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.243 12.497 -10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.455 11.391 -10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.848 13.105 -10.683 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.744 12.647 -12.002 1.00 0.00 H new ATOM 669 N ARG A 44 17.202 13.019 -15.276 1.00 0.00 N ATOM 670 CA ARG A 44 18.326 12.920 -16.233 1.00 0.00 C ATOM 671 C ARG A 44 18.982 14.275 -16.547 1.00 0.00 C ATOM 672 O ARG A 44 20.204 14.395 -16.533 1.00 0.00 O ATOM 673 CB ARG A 44 17.884 12.135 -17.489 1.00 0.00 C ATOM 674 CG ARG A 44 16.830 12.813 -18.392 1.00 0.00 C ATOM 675 CD ARG A 44 16.366 11.892 -19.534 1.00 0.00 C ATOM 676 NE ARG A 44 17.465 11.596 -20.480 1.00 0.00 N ATOM 677 CZ ARG A 44 18.045 10.429 -20.719 1.00 0.00 C ATOM 678 NH1 ARG A 44 17.703 9.334 -20.101 1.00 0.00 N ATOM 679 NH2 ARG A 44 18.999 10.341 -21.598 1.00 0.00 N ATOM 0 H ARG A 44 16.307 12.718 -15.662 1.00 0.00 H new ATOM 0 HA ARG A 44 19.125 12.352 -15.756 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.769 11.931 -18.092 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.488 11.172 -17.167 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.970 13.103 -17.789 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.248 13.728 -18.812 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.984 10.960 -19.117 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.542 12.363 -20.070 1.00 0.00 H new ATOM 0 HE ARG A 44 17.820 12.389 -21.014 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.961 9.354 -19.401 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.177 8.457 -20.317 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.303 11.172 -22.106 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.444 9.441 -21.780 1.00 0.00 H new ATOM 693 N ILE A 45 18.169 15.321 -16.732 1.00 0.00 N ATOM 694 CA ILE A 45 18.660 16.687 -17.003 1.00 0.00 C ATOM 695 C ILE A 45 19.204 17.311 -15.710 1.00 0.00 C ATOM 696 O ILE A 45 20.232 17.977 -15.732 1.00 0.00 O ATOM 697 CB ILE A 45 17.575 17.572 -17.674 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.941 16.871 -18.900 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.197 18.910 -18.117 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.846 17.680 -19.611 1.00 0.00 C ATOM 0 H ILE A 45 17.152 15.250 -16.699 1.00 0.00 H new ATOM 0 HA ILE A 45 19.478 16.625 -17.720 1.00 0.00 H new ATOM 0 HB ILE A 45 16.789 17.747 -16.940 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.729 16.643 -19.618 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.518 15.919 -18.578 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.433 19.528 -18.587 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.600 19.430 -17.248 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.999 18.720 -18.830 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.462 17.108 -20.456 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.034 17.886 -18.913 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.263 18.621 -19.969 1.00 0.00 H new ATOM 712 N ALA A 46 18.583 17.030 -14.562 1.00 0.00 N ATOM 713 CA ALA A 46 19.061 17.501 -13.262 1.00 0.00 C ATOM 714 C ALA A 46 20.450 16.930 -12.936 1.00 0.00 C ATOM 715 O ALA A 46 21.365 17.700 -12.651 1.00 0.00 O ATOM 716 CB ALA A 46 18.021 17.155 -12.187 1.00 0.00 C ATOM 0 H ALA A 46 17.733 16.468 -14.509 1.00 0.00 H new ATOM 0 HA ALA A 46 19.179 18.584 -13.290 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.372 17.504 -11.216 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.075 17.640 -12.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.877 16.075 -12.154 1.00 0.00 H new ATOM 722 N ILE A 47 20.661 15.613 -13.066 1.00 0.00 N ATOM 723 CA ILE A 47 21.991 15.018 -12.846 1.00 0.00 C ATOM 724 C ILE A 47 22.995 15.475 -13.910 1.00 0.00 C ATOM 725 O ILE A 47 24.133 15.768 -13.556 1.00 0.00 O ATOM 726 CB ILE A 47 21.954 13.487 -12.659 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.617 12.708 -13.947 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.009 13.145 -11.496 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.572 11.185 -13.767 1.00 0.00 C ATOM 0 H ILE A 47 19.936 14.942 -13.320 1.00 0.00 H new ATOM 0 HA ILE A 47 22.350 15.402 -11.891 1.00 0.00 H new ATOM 0 HB ILE A 47 22.963 13.157 -12.410 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.651 13.047 -14.321 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.357 12.951 -14.709 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.978 12.064 -11.358 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.371 13.617 -10.582 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.007 13.511 -11.721 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.329 10.713 -14.719 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.544 10.830 -13.424 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.811 10.928 -13.030 1.00 0.00 H new ATOM 741 N ALA A 48 22.578 15.665 -15.171 1.00 0.00 N ATOM 742 CA ALA A 48 23.431 16.285 -16.191 1.00 0.00 C ATOM 743 C ALA A 48 23.908 17.692 -15.776 1.00 0.00 C ATOM 744 O ALA A 48 25.108 17.961 -15.826 1.00 0.00 O ATOM 745 CB ALA A 48 22.662 16.302 -17.515 1.00 0.00 C ATOM 0 H ALA A 48 21.653 15.397 -15.507 1.00 0.00 H new ATOM 0 HA ALA A 48 24.341 15.697 -16.308 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.279 16.760 -18.288 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.415 15.281 -17.805 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.744 16.878 -17.395 1.00 0.00 H new ATOM 751 N LYS A 49 23.012 18.561 -15.279 1.00 0.00 N ATOM 752 CA LYS A 49 23.361 19.910 -14.781 1.00 0.00 C ATOM 753 C LYS A 49 24.228 19.889 -13.517 1.00 0.00 C ATOM 754 O LYS A 49 25.085 20.756 -13.358 1.00 0.00 O ATOM 755 CB LYS A 49 22.077 20.736 -14.557 1.00 0.00 C ATOM 756 CG LYS A 49 21.362 21.165 -15.854 1.00 0.00 C ATOM 757 CD LYS A 49 22.166 22.079 -16.797 1.00 0.00 C ATOM 758 CE LYS A 49 22.626 23.384 -16.123 1.00 0.00 C ATOM 759 NZ LYS A 49 23.330 24.284 -17.083 1.00 0.00 N ATOM 0 H LYS A 49 22.017 18.349 -15.209 1.00 0.00 H new ATOM 0 HA LYS A 49 23.971 20.384 -15.550 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.385 20.152 -13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.329 21.628 -13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.080 20.267 -16.404 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.438 21.677 -15.584 1.00 0.00 H new ATOM 0 HD2 LYS A 49 23.039 21.538 -17.161 1.00 0.00 H new ATOM 0 HD3 LYS A 49 21.555 22.322 -17.667 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.762 23.902 -15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 49 23.290 23.149 -15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 23.625 25.152 -16.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 24.168 23.799 -17.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.688 24.528 -17.864 1.00 0.00 H new ATOM 773 N LEU A 50 24.055 18.895 -12.639 1.00 0.00 N ATOM 774 CA LEU A 50 24.936 18.693 -11.477 1.00 0.00 C ATOM 775 C LEU A 50 26.331 18.162 -11.872 1.00 0.00 C ATOM 776 O LEU A 50 27.304 18.446 -11.176 1.00 0.00 O ATOM 777 CB LEU A 50 24.269 17.755 -10.457 1.00 0.00 C ATOM 778 CG LEU A 50 22.988 18.273 -9.780 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.437 17.168 -8.876 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.228 19.520 -8.932 1.00 0.00 C ATOM 0 H LEU A 50 23.304 18.209 -12.711 1.00 0.00 H new ATOM 0 HA LEU A 50 25.090 19.670 -11.020 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.033 16.817 -10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.997 17.525 -9.679 1.00 0.00 H new ATOM 0 HG LEU A 50 22.285 18.543 -10.568 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.528 17.518 -8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 50 22.211 16.286 -9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.180 16.912 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.289 19.839 -8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.950 19.293 -8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.617 20.320 -9.563 1.00 0.00 H new ATOM 792 N LEU A 51 26.453 17.432 -12.989 1.00 0.00 N ATOM 793 CA LEU A 51 27.743 16.980 -13.532 1.00 0.00 C ATOM 794 C LEU A 51 28.464 18.076 -14.345 1.00 0.00 C ATOM 795 O LEU A 51 29.685 18.198 -14.244 1.00 0.00 O ATOM 796 CB LEU A 51 27.524 15.701 -14.361 1.00 0.00 C ATOM 797 CG LEU A 51 27.140 14.459 -13.528 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.673 13.339 -14.458 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.305 13.929 -12.690 1.00 0.00 C ATOM 0 H LEU A 51 25.652 17.135 -13.547 1.00 0.00 H new ATOM 0 HA LEU A 51 28.406 16.756 -12.696 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.740 15.888 -15.095 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.436 15.483 -14.917 1.00 0.00 H new ATOM 0 HG LEU A 51 26.344 14.769 -12.851 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.403 12.464 -13.867 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.805 13.675 -15.026 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.477 13.078 -15.146 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.979 13.056 -12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.128 13.649 -13.347 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.639 14.704 -12.000 1.00 0.00 H new ATOM 1252 N SER A 85 9.043 11.364 -12.700 1.00 0.00 N ATOM 1253 CA SER A 85 9.623 12.707 -12.548 1.00 0.00 C ATOM 1254 C SER A 85 8.958 13.500 -11.416 1.00 0.00 C ATOM 1255 O SER A 85 9.637 14.038 -10.540 1.00 0.00 O ATOM 1256 CB SER A 85 9.471 13.462 -13.879 1.00 0.00 C ATOM 1257 OG SER A 85 8.133 13.362 -14.356 1.00 0.00 O ATOM 0 HA SER A 85 10.676 12.599 -12.286 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.738 14.510 -13.743 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.159 13.051 -14.618 1.00 0.00 H new ATOM 0 HG SER A 85 7.751 12.503 -14.080 1.00 0.00 H new ATOM 1263 N GLN A 86 7.621 13.498 -11.374 1.00 0.00 N ATOM 1264 CA GLN A 86 6.839 14.154 -10.322 1.00 0.00 C ATOM 1265 C GLN A 86 6.957 13.414 -8.980 1.00 0.00 C ATOM 1266 O GLN A 86 7.013 14.059 -7.936 1.00 0.00 O ATOM 1267 CB GLN A 86 5.369 14.289 -10.760 1.00 0.00 C ATOM 1268 CG GLN A 86 5.199 15.167 -12.011 1.00 0.00 C ATOM 1269 CD GLN A 86 3.725 15.325 -12.398 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.210 14.652 -13.281 1.00 0.00 O ATOM 1271 NE2 GLN A 86 2.986 16.204 -11.749 1.00 0.00 N ATOM 0 H GLN A 86 7.046 13.035 -12.078 1.00 0.00 H new ATOM 0 HA GLN A 86 7.248 15.153 -10.169 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.961 13.298 -10.959 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.788 14.714 -9.941 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.634 16.149 -11.828 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.748 14.725 -12.843 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.400 16.772 -11.010 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.000 16.315 -11.986 1.00 0.00 H new ATOM 1280 N GLN A 87 7.074 12.082 -8.989 1.00 0.00 N ATOM 1281 CA GLN A 87 7.249 11.275 -7.771 1.00 0.00 C ATOM 1282 C GLN A 87 8.607 11.550 -7.094 1.00 0.00 C ATOM 1283 O GLN A 87 8.643 11.857 -5.900 1.00 0.00 O ATOM 1284 CB GLN A 87 7.028 9.792 -8.135 1.00 0.00 C ATOM 1285 CG GLN A 87 6.681 8.872 -6.948 1.00 0.00 C ATOM 1286 CD GLN A 87 7.848 8.568 -6.012 1.00 0.00 C ATOM 1287 OE1 GLN A 87 7.849 8.931 -4.844 1.00 0.00 O ATOM 1288 NE2 GLN A 87 8.868 7.879 -6.474 1.00 0.00 N ATOM 0 H GLN A 87 7.050 11.528 -9.845 1.00 0.00 H new ATOM 0 HA GLN A 87 6.508 11.556 -7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.225 9.730 -8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.930 9.414 -8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.881 9.334 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.291 7.931 -7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.877 7.571 -7.446 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.650 7.652 -5.860 1.00 0.00 H new ATOM 1297 N ILE A 88 9.713 11.543 -7.851 1.00 0.00 N ATOM 1298 CA ILE A 88 11.042 11.910 -7.324 1.00 0.00 C ATOM 1299 C ILE A 88 11.061 13.379 -6.889 1.00 0.00 C ATOM 1300 O ILE A 88 11.543 13.673 -5.797 1.00 0.00 O ATOM 1301 CB ILE A 88 12.177 11.612 -8.336 1.00 0.00 C ATOM 1302 CG1 ILE A 88 12.243 10.137 -8.796 1.00 0.00 C ATOM 1303 CG2 ILE A 88 13.544 12.017 -7.742 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.399 9.090 -7.687 1.00 0.00 C ATOM 0 H ILE A 88 9.716 11.286 -8.838 1.00 0.00 H new ATOM 0 HA ILE A 88 11.229 11.287 -6.450 1.00 0.00 H new ATOM 0 HB ILE A 88 11.944 12.207 -9.219 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.335 9.911 -9.355 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.078 10.031 -9.488 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.332 11.802 -8.464 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.541 13.083 -7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.725 11.452 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.434 8.094 -8.129 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.322 9.276 -7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.552 9.155 -7.004 1.00 0.00 H new ATOM 1316 N LEU A 89 10.492 14.297 -7.682 1.00 0.00 N ATOM 1317 CA LEU A 89 10.415 15.719 -7.314 1.00 0.00 C ATOM 1318 C LEU A 89 9.643 15.927 -6.000 1.00 0.00 C ATOM 1319 O LEU A 89 10.119 16.648 -5.131 1.00 0.00 O ATOM 1320 CB LEU A 89 9.784 16.501 -8.487 1.00 0.00 C ATOM 1321 CG LEU A 89 9.661 18.026 -8.287 1.00 0.00 C ATOM 1322 CD1 LEU A 89 11.027 18.707 -8.246 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.875 18.631 -9.450 1.00 0.00 C ATOM 0 H LEU A 89 10.076 14.079 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 89 11.420 16.100 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.378 16.318 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.789 16.097 -8.675 1.00 0.00 H new ATOM 0 HG LEU A 89 9.154 18.187 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.895 19.780 -8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.611 18.301 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.551 18.527 -9.185 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.788 19.708 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.396 18.428 -10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.880 18.188 -9.486 1.00 0.00 H new ATOM 1335 N ASN A 90 8.508 15.249 -5.810 1.00 0.00 N ATOM 1336 CA ASN A 90 7.744 15.284 -4.558 1.00 0.00 C ATOM 1337 C ASN A 90 8.567 14.741 -3.374 1.00 0.00 C ATOM 1338 O ASN A 90 8.657 15.406 -2.343 1.00 0.00 O ATOM 1339 CB ASN A 90 6.424 14.515 -4.771 1.00 0.00 C ATOM 1340 CG ASN A 90 5.558 14.451 -3.524 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.556 13.470 -2.797 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.814 15.491 -3.222 1.00 0.00 N ATOM 0 H ASN A 90 8.089 14.655 -6.526 1.00 0.00 H new ATOM 0 HA ASN A 90 7.509 16.315 -4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.860 14.991 -5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.651 13.501 -5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.236 15.478 -2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.814 16.311 -3.828 1.00 0.00 H new ATOM 1349 N ARG A 91 9.255 13.598 -3.528 1.00 0.00 N ATOM 1350 CA ARG A 91 10.094 13.042 -2.447 1.00 0.00 C ATOM 1351 C ARG A 91 11.290 13.940 -2.117 1.00 0.00 C ATOM 1352 O ARG A 91 11.605 14.111 -0.945 1.00 0.00 O ATOM 1353 CB ARG A 91 10.532 11.603 -2.794 1.00 0.00 C ATOM 1354 CG ARG A 91 10.810 10.728 -1.549 1.00 0.00 C ATOM 1355 CD ARG A 91 9.579 10.462 -0.662 1.00 0.00 C ATOM 1356 NE ARG A 91 8.417 10.035 -1.474 1.00 0.00 N ATOM 1357 CZ ARG A 91 7.348 10.755 -1.763 1.00 0.00 C ATOM 1358 NH1 ARG A 91 6.984 11.781 -1.054 1.00 0.00 N ATOM 1359 NH2 ARG A 91 6.644 10.479 -2.817 1.00 0.00 N ATOM 0 H ARG A 91 9.249 13.042 -4.383 1.00 0.00 H new ATOM 0 HA ARG A 91 9.488 13.005 -1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.756 11.130 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.431 11.643 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.218 9.772 -1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.578 11.212 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.816 9.692 0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.326 11.365 -0.106 1.00 0.00 H new ATOM 0 HE ARG A 91 8.445 9.087 -1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.531 12.058 -0.239 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.151 12.310 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.916 9.705 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.819 11.036 -3.039 1.00 0.00 H new ATOM 1373 N LEU A 92 11.899 14.576 -3.117 1.00 0.00 N ATOM 1374 CA LEU A 92 12.990 15.536 -2.909 1.00 0.00 C ATOM 1375 C LEU A 92 12.499 16.838 -2.255 1.00 0.00 C ATOM 1376 O LEU A 92 13.163 17.337 -1.350 1.00 0.00 O ATOM 1377 CB LEU A 92 13.696 15.782 -4.258 1.00 0.00 C ATOM 1378 CG LEU A 92 15.033 16.540 -4.145 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.119 15.722 -3.448 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.546 16.850 -5.547 1.00 0.00 C ATOM 0 H LEU A 92 11.652 14.442 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 92 13.710 15.117 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.876 14.822 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.026 16.345 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 92 14.837 17.438 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.038 16.306 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.793 15.469 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.302 14.806 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.492 17.387 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.696 15.919 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.817 17.466 -6.073 1.00 0.00 H new ATOM 1392 N ARG A 93 11.318 17.354 -2.628 1.00 0.00 N ATOM 1393 CA ARG A 93 10.702 18.519 -1.958 1.00 0.00 C ATOM 1394 C ARG A 93 10.449 18.229 -0.477 1.00 0.00 C ATOM 1395 O ARG A 93 10.817 19.029 0.376 1.00 0.00 O ATOM 1396 CB ARG A 93 9.393 18.919 -2.667 1.00 0.00 C ATOM 1397 CG ARG A 93 9.632 19.702 -3.971 1.00 0.00 C ATOM 1398 CD ARG A 93 8.302 19.940 -4.700 1.00 0.00 C ATOM 1399 NE ARG A 93 8.491 20.810 -5.872 1.00 0.00 N ATOM 1400 CZ ARG A 93 7.589 21.258 -6.719 1.00 0.00 C ATOM 1401 NH1 ARG A 93 6.333 20.908 -6.662 1.00 0.00 N ATOM 1402 NH2 ARG A 93 7.956 22.083 -7.653 1.00 0.00 N ATOM 0 H ARG A 93 10.762 16.981 -3.398 1.00 0.00 H new ATOM 0 HA ARG A 93 11.398 19.355 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.817 18.021 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.790 19.525 -1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.108 20.657 -3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.314 19.148 -4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.880 18.986 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.585 20.395 -4.017 1.00 0.00 H new ATOM 0 HE ARG A 93 9.451 21.106 -6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.016 20.262 -5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.668 21.281 -7.340 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.931 22.374 -7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.269 22.439 -8.317 1.00 0.00 H new ATOM 1416 N GLU A 94 9.921 17.047 -0.159 1.00 0.00 N ATOM 1417 CA GLU A 94 9.731 16.616 1.234 1.00 0.00 C ATOM 1418 C GLU A 94 11.072 16.475 1.980 1.00 0.00 C ATOM 1419 O GLU A 94 11.243 17.076 3.043 1.00 0.00 O ATOM 1420 CB GLU A 94 8.931 15.303 1.272 1.00 0.00 C ATOM 1421 CG GLU A 94 7.481 15.463 0.794 1.00 0.00 C ATOM 1422 CD GLU A 94 6.625 16.235 1.816 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.110 15.615 2.778 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.452 17.469 1.665 1.00 0.00 O ATOM 0 H GLU A 94 9.614 16.363 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 94 9.163 17.388 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.432 14.562 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.930 14.915 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.469 15.988 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.044 14.479 0.623 1.00 0.00 H new ATOM 1431 N ARG A 95 12.054 15.763 1.397 1.00 0.00 N ATOM 1432 CA ARG A 95 13.371 15.522 2.022 1.00 0.00 C ATOM 1433 C ARG A 95 14.143 16.815 2.311 1.00 0.00 C ATOM 1434 O ARG A 95 14.741 16.943 3.380 1.00 0.00 O ATOM 1435 CB ARG A 95 14.200 14.593 1.114 1.00 0.00 C ATOM 1436 CG ARG A 95 15.421 13.982 1.826 1.00 0.00 C ATOM 1437 CD ARG A 95 16.280 13.185 0.835 1.00 0.00 C ATOM 1438 NE ARG A 95 17.014 12.094 1.498 1.00 0.00 N ATOM 1439 CZ ARG A 95 18.310 11.870 1.534 1.00 0.00 C ATOM 1440 NH1 ARG A 95 19.218 12.727 1.178 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.763 10.731 1.946 1.00 0.00 N ATOM 0 H ARG A 95 11.957 15.336 0.476 1.00 0.00 H new ATOM 0 HA ARG A 95 13.195 15.049 2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.561 13.789 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.538 15.154 0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.018 14.773 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.089 13.330 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.643 12.771 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.988 13.855 0.348 1.00 0.00 H new ATOM 0 HE ARG A 95 16.437 11.418 1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 95 18.944 13.650 0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 95 20.205 12.477 1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 95 18.115 10.002 2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.768 10.561 1.972 1.00 0.00 H new ATOM 1455 N VAL A 96 14.132 17.760 1.367 1.00 0.00 N ATOM 1456 CA VAL A 96 14.962 18.978 1.432 1.00 0.00 C ATOM 1457 C VAL A 96 14.243 20.147 2.120 1.00 0.00 C ATOM 1458 O VAL A 96 14.881 20.877 2.885 1.00 0.00 O ATOM 1459 CB VAL A 96 15.494 19.356 0.032 1.00 0.00 C ATOM 1460 CG1 VAL A 96 16.474 20.536 0.092 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.248 18.166 -0.588 1.00 0.00 C ATOM 0 H VAL A 96 13.548 17.707 0.532 1.00 0.00 H new ATOM 0 HA VAL A 96 15.823 18.752 2.062 1.00 0.00 H new ATOM 0 HB VAL A 96 14.627 19.632 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.824 20.770 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.970 21.406 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.325 20.271 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.618 18.444 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.088 17.894 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.572 17.316 -0.681 1.00 0.00 H new ATOM 1471 N SER A 97 12.930 20.311 1.914 1.00 0.00 N ATOM 1472 CA SER A 97 12.160 21.456 2.438 1.00 0.00 C ATOM 1473 C SER A 97 11.263 21.123 3.643 1.00 0.00 C ATOM 1474 O SER A 97 10.837 22.044 4.346 1.00 0.00 O ATOM 1475 CB SER A 97 11.339 22.115 1.321 1.00 0.00 C ATOM 1476 OG SER A 97 12.169 22.461 0.217 1.00 0.00 O ATOM 0 H SER A 97 12.366 19.652 1.377 1.00 0.00 H new ATOM 0 HA SER A 97 12.904 22.159 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.554 21.435 0.992 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.846 23.008 1.705 1.00 0.00 H new ATOM 0 HG SER A 97 11.625 22.878 -0.483 1.00 0.00 H new