USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 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 -78:sc= 2.21 USER MOD Set 1.2: A 27 SER OG : rot -97:sc= 1.22 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= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 31 GLN : amide:sc= 0.281 K(o=0.28,f=-4.2!) USER MOD Single : A 36 MET CE :methyl 172:sc= 0 (180deg=-0.00737) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 149:sc= 0.00795 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -26:sc= 0.244 USER MOD Single : A 86 GLN : amide:sc= -0.0455 X(o=-0.046,f=-0.046) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.0845 K(o=-0.084,f=-0.71) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.311 3.094 -1.215 1.00 0.00 N ATOM 197 CA GLU A 13 13.847 3.030 -2.581 1.00 0.00 C ATOM 198 C GLU A 13 14.122 4.435 -3.156 1.00 0.00 C ATOM 199 O GLU A 13 15.173 4.671 -3.752 1.00 0.00 O ATOM 200 CB GLU A 13 12.833 2.263 -3.445 1.00 0.00 C ATOM 201 CG GLU A 13 13.355 1.891 -4.837 1.00 0.00 C ATOM 202 CD GLU A 13 14.337 0.706 -4.777 1.00 0.00 C ATOM 203 OE1 GLU A 13 15.556 0.922 -4.584 1.00 0.00 O ATOM 204 OE2 GLU A 13 13.891 -0.459 -4.923 1.00 0.00 O ATOM 0 HA GLU A 13 14.807 2.514 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.541 1.352 -2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.934 2.869 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.516 1.636 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.851 2.753 -5.282 1.00 0.00 H new ATOM 211 N VAL A 14 13.214 5.390 -2.920 1.00 0.00 N ATOM 212 CA VAL A 14 13.375 6.795 -3.341 1.00 0.00 C ATOM 213 C VAL A 14 14.435 7.510 -2.499 1.00 0.00 C ATOM 214 O VAL A 14 15.282 8.211 -3.048 1.00 0.00 O ATOM 215 CB VAL A 14 12.025 7.543 -3.296 1.00 0.00 C ATOM 216 CG1 VAL A 14 12.181 9.035 -3.609 1.00 0.00 C ATOM 217 CG2 VAL A 14 11.039 6.943 -4.304 1.00 0.00 C ATOM 0 H VAL A 14 12.338 5.212 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 14 13.723 6.796 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 14 11.646 7.432 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.206 9.520 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.847 9.493 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.602 9.155 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.094 7.485 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.452 7.023 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.868 5.893 -4.065 1.00 0.00 H new ATOM 227 N ASP A 15 14.437 7.299 -1.182 1.00 0.00 N ATOM 228 CA ASP A 15 15.464 7.829 -0.275 1.00 0.00 C ATOM 229 C ASP A 15 16.881 7.348 -0.657 1.00 0.00 C ATOM 230 O ASP A 15 17.797 8.162 -0.789 1.00 0.00 O ATOM 231 CB ASP A 15 15.086 7.404 1.149 1.00 0.00 C ATOM 232 CG ASP A 15 16.181 7.688 2.185 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.525 8.877 2.390 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.676 6.716 2.801 1.00 0.00 O ATOM 0 H ASP A 15 13.720 6.750 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 15 15.496 8.916 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.174 7.923 1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.861 6.337 1.153 1.00 0.00 H new ATOM 239 N GLU A 16 17.052 6.049 -0.914 1.00 0.00 N ATOM 240 CA GLU A 16 18.316 5.477 -1.384 1.00 0.00 C ATOM 241 C GLU A 16 18.695 5.979 -2.787 1.00 0.00 C ATOM 242 O GLU A 16 19.862 6.295 -3.021 1.00 0.00 O ATOM 243 CB GLU A 16 18.234 3.942 -1.350 1.00 0.00 C ATOM 244 CG GLU A 16 19.534 3.295 -1.845 1.00 0.00 C ATOM 245 CD GLU A 16 19.541 1.775 -1.591 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.725 1.348 -0.422 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.392 0.989 -2.557 1.00 0.00 O ATOM 0 H GLU A 16 16.310 5.358 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 16 19.107 5.809 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.027 3.611 -0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.402 3.608 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.654 3.487 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.385 3.753 -1.340 1.00 0.00 H new ATOM 254 N ALA A 17 17.738 6.097 -3.715 1.00 0.00 N ATOM 255 CA ALA A 17 18.020 6.615 -5.050 1.00 0.00 C ATOM 256 C ALA A 17 18.468 8.090 -5.012 1.00 0.00 C ATOM 257 O ALA A 17 19.433 8.457 -5.686 1.00 0.00 O ATOM 258 CB ALA A 17 16.792 6.418 -5.952 1.00 0.00 C ATOM 0 H ALA A 17 16.763 5.840 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 17 18.854 6.052 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.006 6.806 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.556 5.356 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.941 6.952 -5.530 1.00 0.00 H new ATOM 264 N ILE A 18 17.827 8.914 -4.177 1.00 0.00 N ATOM 265 CA ILE A 18 18.229 10.307 -3.932 1.00 0.00 C ATOM 266 C ILE A 18 19.636 10.367 -3.319 1.00 0.00 C ATOM 267 O ILE A 18 20.473 11.107 -3.826 1.00 0.00 O ATOM 268 CB ILE A 18 17.158 11.038 -3.081 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.927 11.344 -3.969 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.698 12.339 -2.448 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.703 11.876 -3.210 1.00 0.00 C ATOM 0 H ILE A 18 17.004 8.631 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 18 18.287 10.838 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 18 16.875 10.381 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.214 12.075 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.642 10.434 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.910 12.813 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.542 12.105 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.024 13.019 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.891 12.062 -3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.383 11.139 -2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.964 12.805 -2.704 1.00 0.00 H new ATOM 283 N ASP A 19 19.938 9.570 -2.292 1.00 0.00 N ATOM 284 CA ASP A 19 21.275 9.514 -1.680 1.00 0.00 C ATOM 285 C ASP A 19 22.365 9.037 -2.666 1.00 0.00 C ATOM 286 O ASP A 19 23.447 9.627 -2.733 1.00 0.00 O ATOM 287 CB ASP A 19 21.198 8.602 -0.448 1.00 0.00 C ATOM 288 CG ASP A 19 22.540 8.512 0.287 1.00 0.00 C ATOM 289 OD1 ASP A 19 22.832 9.371 1.153 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.322 7.572 0.017 1.00 0.00 O ATOM 0 H ASP A 19 19.263 8.942 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 19 21.570 10.522 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.436 8.979 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.886 7.604 -0.755 1.00 0.00 H new ATOM 295 N ASN A 20 22.062 8.037 -3.499 1.00 0.00 N ATOM 296 CA ASN A 20 22.970 7.570 -4.546 1.00 0.00 C ATOM 297 C ASN A 20 23.246 8.660 -5.596 1.00 0.00 C ATOM 298 O ASN A 20 24.399 8.880 -5.956 1.00 0.00 O ATOM 299 CB ASN A 20 22.389 6.291 -5.170 1.00 0.00 C ATOM 300 CG ASN A 20 23.328 5.687 -6.203 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.254 4.960 -5.876 1.00 0.00 O ATOM 302 ND2 ASN A 20 23.141 5.972 -7.474 1.00 0.00 N ATOM 0 H ASN A 20 21.178 7.529 -3.465 1.00 0.00 H new ATOM 0 HA ASN A 20 23.940 7.338 -4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.194 5.560 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.431 6.518 -5.639 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.767 5.587 -8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 20 22.370 6.578 -7.753 1.00 0.00 H new ATOM 309 N ILE A 21 22.210 9.378 -6.051 1.00 0.00 N ATOM 310 CA ILE A 21 22.365 10.521 -6.969 1.00 0.00 C ATOM 311 C ILE A 21 23.170 11.651 -6.318 1.00 0.00 C ATOM 312 O ILE A 21 24.093 12.177 -6.931 1.00 0.00 O ATOM 313 CB ILE A 21 20.980 11.007 -7.468 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.449 10.022 -8.531 1.00 0.00 C ATOM 315 CG2 ILE A 21 21.063 12.431 -8.048 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.940 10.150 -8.782 1.00 0.00 C ATOM 0 H ILE A 21 21.242 9.185 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 21 22.932 10.191 -7.839 1.00 0.00 H new ATOM 0 HB ILE A 21 20.294 11.038 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.981 10.189 -9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.672 9.003 -8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 21 20.076 12.743 -8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.415 13.118 -7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.757 12.442 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.635 9.429 -9.540 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.399 9.954 -7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.713 11.158 -9.128 1.00 0.00 H new ATOM 328 N LEU A 22 22.852 11.999 -5.073 1.00 0.00 N ATOM 329 CA LEU A 22 23.525 13.043 -4.298 1.00 0.00 C ATOM 330 C LEU A 22 25.042 12.794 -4.202 1.00 0.00 C ATOM 331 O LEU A 22 25.838 13.702 -4.451 1.00 0.00 O ATOM 332 CB LEU A 22 22.839 13.039 -2.918 1.00 0.00 C ATOM 333 CG LEU A 22 23.363 14.059 -1.905 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.962 15.475 -2.310 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.778 13.756 -0.524 1.00 0.00 C ATOM 0 H LEU A 22 22.095 11.549 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 22 23.436 14.019 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.773 13.216 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.941 12.043 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 22 24.450 13.990 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.344 16.185 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.380 15.705 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.875 15.547 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.152 14.483 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.691 13.815 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.074 12.754 -0.215 1.00 0.00 H new ATOM 347 N ARG A 23 25.444 11.546 -3.916 1.00 0.00 N ATOM 348 CA ARG A 23 26.858 11.133 -3.880 1.00 0.00 C ATOM 349 C ARG A 23 27.492 11.053 -5.274 1.00 0.00 C ATOM 350 O ARG A 23 28.577 11.597 -5.471 1.00 0.00 O ATOM 351 CB ARG A 23 26.989 9.800 -3.128 1.00 0.00 C ATOM 352 CG ARG A 23 26.637 9.951 -1.641 1.00 0.00 C ATOM 353 CD ARG A 23 26.676 8.603 -0.910 1.00 0.00 C ATOM 354 NE ARG A 23 25.890 8.671 0.329 1.00 0.00 N ATOM 355 CZ ARG A 23 26.239 9.119 1.516 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.469 9.416 1.834 1.00 0.00 N ATOM 357 NH2 ARG A 23 25.307 9.290 2.404 1.00 0.00 N ATOM 0 H ARG A 23 24.794 10.790 -3.702 1.00 0.00 H new ATOM 0 HA ARG A 23 27.413 11.904 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.333 9.059 -3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 23 28.008 9.426 -3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.337 10.641 -1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.643 10.389 -1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.281 7.820 -1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.708 8.336 -0.680 1.00 0.00 H new ATOM 0 HE ARG A 23 24.935 8.320 0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.215 9.304 1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.685 9.760 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 23 24.337 9.078 2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.545 9.636 3.333 1.00 0.00 H new ATOM 371 N TYR A 24 26.802 10.462 -6.256 1.00 0.00 N ATOM 372 CA TYR A 24 27.274 10.358 -7.650 1.00 0.00 C ATOM 373 C TYR A 24 27.534 11.729 -8.298 1.00 0.00 C ATOM 374 O TYR A 24 28.528 11.912 -9.004 1.00 0.00 O ATOM 375 CB TYR A 24 26.229 9.567 -8.454 1.00 0.00 C ATOM 376 CG TYR A 24 26.492 9.487 -9.947 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.588 8.743 -10.429 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.641 10.153 -10.855 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.836 8.667 -11.811 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.877 10.063 -12.241 1.00 0.00 C ATOM 381 CZ TYR A 24 26.979 9.321 -12.722 1.00 0.00 C ATOM 382 OH TYR A 24 27.224 9.230 -14.058 1.00 0.00 O ATOM 0 H TYR A 24 25.887 10.035 -6.107 1.00 0.00 H new ATOM 0 HA TYR A 24 28.234 9.841 -7.651 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.177 8.554 -8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.251 10.022 -8.297 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.238 8.230 -9.736 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.807 10.733 -10.487 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.684 8.107 -12.176 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.216 10.561 -12.935 1.00 0.00 H new ATOM 0 HH TYR A 24 26.543 9.734 -14.551 1.00 0.00 H new ATOM 392 N THR A 25 26.680 12.716 -8.014 1.00 0.00 N ATOM 393 CA THR A 25 26.822 14.098 -8.502 1.00 0.00 C ATOM 394 C THR A 25 27.762 14.972 -7.661 1.00 0.00 C ATOM 395 O THR A 25 28.014 16.111 -8.047 1.00 0.00 O ATOM 396 CB THR A 25 25.466 14.802 -8.613 1.00 0.00 C ATOM 397 OG1 THR A 25 24.801 14.800 -7.374 1.00 0.00 O ATOM 398 CG2 THR A 25 24.533 14.182 -9.643 1.00 0.00 C ATOM 0 H THR A 25 25.856 12.579 -7.429 1.00 0.00 H new ATOM 0 HA THR A 25 27.273 13.987 -9.488 1.00 0.00 H new ATOM 0 HB THR A 25 25.701 15.816 -8.936 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.408 13.916 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.594 14.735 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.999 14.223 -10.627 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.336 13.143 -9.377 1.00 0.00 H new ATOM 406 N ASN A 26 28.293 14.475 -6.531 1.00 0.00 N ATOM 407 CA ASN A 26 29.146 15.238 -5.607 1.00 0.00 C ATOM 408 C ASN A 26 28.482 16.561 -5.134 1.00 0.00 C ATOM 409 O ASN A 26 29.135 17.599 -5.006 1.00 0.00 O ATOM 410 CB ASN A 26 30.550 15.379 -6.233 1.00 0.00 C ATOM 411 CG ASN A 26 31.577 16.005 -5.302 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.803 15.551 -4.187 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.236 17.058 -5.729 1.00 0.00 N ATOM 0 H ASN A 26 28.138 13.513 -6.229 1.00 0.00 H new ATOM 0 HA ASN A 26 29.271 14.694 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.902 14.394 -6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.476 15.984 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 26 32.936 17.498 -5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.047 17.436 -6.658 1.00 0.00 H new ATOM 420 N SER A 27 27.161 16.526 -4.919 1.00 0.00 N ATOM 421 CA SER A 27 26.331 17.713 -4.661 1.00 0.00 C ATOM 422 C SER A 27 25.748 17.755 -3.237 1.00 0.00 C ATOM 423 O SER A 27 25.908 16.816 -2.450 1.00 0.00 O ATOM 424 CB SER A 27 25.218 17.790 -5.712 1.00 0.00 C ATOM 425 OG SER A 27 24.286 16.736 -5.541 1.00 0.00 O ATOM 0 H SER A 27 26.628 15.657 -4.919 1.00 0.00 H new ATOM 0 HA SER A 27 26.979 18.586 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.706 18.749 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.652 17.739 -6.711 1.00 0.00 H new ATOM 0 HG SER A 27 24.502 16.005 -6.157 1.00 0.00 H new ATOM 431 N THR A 28 25.076 18.866 -2.904 1.00 0.00 N ATOM 432 CA THR A 28 24.229 18.989 -1.700 1.00 0.00 C ATOM 433 C THR A 28 22.748 19.012 -2.095 1.00 0.00 C ATOM 434 O THR A 28 22.394 19.421 -3.201 1.00 0.00 O ATOM 435 CB THR A 28 24.647 20.158 -0.793 1.00 0.00 C ATOM 436 OG1 THR A 28 23.856 20.133 0.377 1.00 0.00 O ATOM 437 CG2 THR A 28 24.499 21.548 -1.411 1.00 0.00 C ATOM 0 H THR A 28 25.103 19.716 -3.467 1.00 0.00 H new ATOM 0 HA THR A 28 24.384 18.104 -1.083 1.00 0.00 H new ATOM 0 HB THR A 28 25.710 20.008 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.116 20.874 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 28 24.820 22.302 -0.692 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.116 21.615 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.456 21.719 -1.675 1.00 0.00 H new ATOM 445 N GLU A 29 21.850 18.577 -1.206 1.00 0.00 N ATOM 446 CA GLU A 29 20.432 18.343 -1.543 1.00 0.00 C ATOM 447 C GLU A 29 19.703 19.618 -2.002 1.00 0.00 C ATOM 448 O GLU A 29 18.811 19.544 -2.846 1.00 0.00 O ATOM 449 CB GLU A 29 19.704 17.683 -0.357 1.00 0.00 C ATOM 450 CG GLU A 29 20.291 16.319 0.026 1.00 0.00 C ATOM 451 CD GLU A 29 19.560 15.686 1.223 1.00 0.00 C ATOM 452 OE1 GLU A 29 19.639 16.231 2.351 1.00 0.00 O ATOM 453 OE2 GLU A 29 18.909 14.629 1.041 1.00 0.00 O ATOM 0 H GLU A 29 22.079 18.376 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 29 20.415 17.663 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.751 18.347 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.650 17.561 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.232 15.647 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.347 16.435 0.268 1.00 0.00 H new ATOM 460 N GLN A 30 20.134 20.801 -1.542 1.00 0.00 N ATOM 461 CA GLN A 30 19.611 22.093 -2.022 1.00 0.00 C ATOM 462 C GLN A 30 19.926 22.336 -3.512 1.00 0.00 C ATOM 463 O GLN A 30 19.066 22.816 -4.247 1.00 0.00 O ATOM 464 CB GLN A 30 20.177 23.236 -1.159 1.00 0.00 C ATOM 465 CG GLN A 30 19.669 23.197 0.297 1.00 0.00 C ATOM 466 CD GLN A 30 20.196 24.343 1.167 1.00 0.00 C ATOM 467 OE1 GLN A 30 20.935 25.222 0.742 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.830 24.383 2.432 1.00 0.00 N ATOM 0 H GLN A 30 20.855 20.892 -0.826 1.00 0.00 H new ATOM 0 HA GLN A 30 18.525 22.066 -1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.266 23.181 -1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.906 24.192 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.579 23.228 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.959 22.248 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.215 23.661 2.808 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.162 25.136 3.035 1.00 0.00 H new ATOM 477 N GLN A 31 21.119 21.944 -3.983 1.00 0.00 N ATOM 478 CA GLN A 31 21.491 22.035 -5.405 1.00 0.00 C ATOM 479 C GLN A 31 20.658 21.067 -6.250 1.00 0.00 C ATOM 480 O GLN A 31 20.160 21.439 -7.308 1.00 0.00 O ATOM 481 CB GLN A 31 22.982 21.707 -5.602 1.00 0.00 C ATOM 482 CG GLN A 31 23.939 22.738 -4.980 1.00 0.00 C ATOM 483 CD GLN A 31 25.394 22.258 -4.971 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.691 21.077 -4.850 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.357 23.149 -5.059 1.00 0.00 N ATOM 0 H GLN A 31 21.853 21.555 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 31 21.297 23.058 -5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.188 20.728 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.189 21.633 -6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.872 23.673 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.624 22.951 -3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 31 26.129 24.138 -5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.332 22.851 -5.026 1.00 0.00 H new ATOM 494 N PHE A 32 20.457 19.837 -5.760 1.00 0.00 N ATOM 495 CA PHE A 32 19.639 18.833 -6.446 1.00 0.00 C ATOM 496 C PHE A 32 18.161 19.266 -6.521 1.00 0.00 C ATOM 497 O PHE A 32 17.554 19.164 -7.585 1.00 0.00 O ATOM 498 CB PHE A 32 19.865 17.474 -5.753 1.00 0.00 C ATOM 499 CG PHE A 32 19.219 16.231 -6.358 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.729 16.198 -7.682 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.138 15.068 -5.568 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.107 15.039 -8.179 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.525 13.906 -6.070 1.00 0.00 C ATOM 504 CZ PHE A 32 17.987 13.899 -7.368 1.00 0.00 C ATOM 0 H PHE A 32 20.856 19.512 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 32 19.943 18.731 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.940 17.300 -5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.513 17.564 -4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.832 17.067 -8.315 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.550 15.068 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.720 15.026 -9.187 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.468 13.018 -5.457 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.483 13.020 -7.741 1.00 0.00 H new ATOM 514 N LEU A 33 17.597 19.832 -5.446 1.00 0.00 N ATOM 515 CA LEU A 33 16.237 20.398 -5.448 1.00 0.00 C ATOM 516 C LEU A 33 16.106 21.572 -6.424 1.00 0.00 C ATOM 517 O LEU A 33 15.183 21.592 -7.234 1.00 0.00 O ATOM 518 CB LEU A 33 15.846 20.761 -3.997 1.00 0.00 C ATOM 519 CG LEU A 33 14.430 21.316 -3.721 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.267 22.794 -4.089 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.326 20.518 -4.416 1.00 0.00 C ATOM 0 H LEU A 33 18.071 19.912 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 33 15.531 19.653 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.974 19.866 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.564 21.497 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 33 14.322 21.212 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.249 23.114 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.969 23.393 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.467 22.928 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.357 20.958 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.484 20.541 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.349 19.485 -4.067 1.00 0.00 H new ATOM 533 N GLU A 34 17.041 22.519 -6.387 1.00 0.00 N ATOM 534 CA GLU A 34 17.033 23.683 -7.283 1.00 0.00 C ATOM 535 C GLU A 34 17.142 23.273 -8.759 1.00 0.00 C ATOM 536 O GLU A 34 16.400 23.781 -9.604 1.00 0.00 O ATOM 537 CB GLU A 34 18.156 24.649 -6.871 1.00 0.00 C ATOM 538 CG GLU A 34 18.141 25.947 -7.682 1.00 0.00 C ATOM 539 CD GLU A 34 19.212 26.928 -7.171 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.390 26.824 -7.593 1.00 0.00 O ATOM 541 OE2 GLU A 34 18.887 27.817 -6.346 1.00 0.00 O ATOM 0 H GLU A 34 17.827 22.505 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 34 16.076 24.195 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.057 24.885 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.120 24.156 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.318 25.725 -8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.157 26.410 -7.616 1.00 0.00 H new ATOM 548 N ALA A 35 18.000 22.296 -9.063 1.00 0.00 N ATOM 549 CA ALA A 35 18.110 21.726 -10.401 1.00 0.00 C ATOM 550 C ALA A 35 16.825 21.003 -10.826 1.00 0.00 C ATOM 551 O ALA A 35 16.309 21.286 -11.901 1.00 0.00 O ATOM 552 CB ALA A 35 19.337 20.812 -10.455 1.00 0.00 C ATOM 0 H ALA A 35 18.638 21.880 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 35 18.243 22.533 -11.122 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.426 20.382 -11.452 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.232 21.391 -10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.227 20.012 -9.723 1.00 0.00 H new ATOM 558 N MET A 36 16.247 20.151 -9.973 1.00 0.00 N ATOM 559 CA MET A 36 14.991 19.454 -10.281 1.00 0.00 C ATOM 560 C MET A 36 13.805 20.417 -10.455 1.00 0.00 C ATOM 561 O MET A 36 12.957 20.184 -11.312 1.00 0.00 O ATOM 562 CB MET A 36 14.704 18.402 -9.199 1.00 0.00 C ATOM 563 CG MET A 36 15.610 17.179 -9.350 1.00 0.00 C ATOM 564 SD MET A 36 15.147 16.108 -10.738 1.00 0.00 S ATOM 565 CE MET A 36 13.879 15.084 -9.946 1.00 0.00 C ATOM 0 H MET A 36 16.632 19.925 -9.056 1.00 0.00 H new ATOM 0 HA MET A 36 15.115 18.955 -11.242 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.849 18.844 -8.213 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.661 18.092 -9.259 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.639 17.513 -9.485 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.582 16.599 -8.428 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.389 14.466 -10.698 1.00 0.00 H new ATOM 0 HE2 MET A 36 14.344 14.444 -9.197 1.00 0.00 H new ATOM 0 HE3 MET A 36 13.140 15.726 -9.466 1.00 0.00 H new ATOM 575 N GLU A 37 13.754 21.527 -9.718 1.00 0.00 N ATOM 576 CA GLU A 37 12.773 22.594 -9.961 1.00 0.00 C ATOM 577 C GLU A 37 13.021 23.292 -11.316 1.00 0.00 C ATOM 578 O GLU A 37 12.077 23.546 -12.067 1.00 0.00 O ATOM 579 CB GLU A 37 12.810 23.585 -8.785 1.00 0.00 C ATOM 580 CG GLU A 37 11.741 24.677 -8.902 1.00 0.00 C ATOM 581 CD GLU A 37 11.708 25.554 -7.639 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.989 25.191 -6.675 1.00 0.00 O ATOM 583 OE2 GLU A 37 12.389 26.606 -7.602 1.00 0.00 O ATOM 0 H GLU A 37 14.386 21.715 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 37 11.775 22.160 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.668 23.041 -7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.795 24.049 -8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.944 25.298 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.764 24.219 -9.057 1.00 0.00 H new ATOM 590 N SER A 38 14.288 23.546 -11.667 1.00 0.00 N ATOM 591 CA SER A 38 14.681 24.169 -12.940 1.00 0.00 C ATOM 592 C SER A 38 14.447 23.272 -14.175 1.00 0.00 C ATOM 593 O SER A 38 14.146 23.781 -15.259 1.00 0.00 O ATOM 594 CB SER A 38 16.160 24.577 -12.857 1.00 0.00 C ATOM 595 OG SER A 38 16.524 25.395 -13.961 1.00 0.00 O ATOM 0 H SER A 38 15.082 23.322 -11.067 1.00 0.00 H new ATOM 0 HA SER A 38 14.040 25.039 -13.081 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.341 25.114 -11.926 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.787 23.685 -12.838 1.00 0.00 H new ATOM 0 HG SER A 38 17.469 25.644 -13.886 1.00 0.00 H new ATOM 601 N THR A 39 14.517 21.941 -14.024 1.00 0.00 N ATOM 602 CA THR A 39 14.308 20.968 -15.121 1.00 0.00 C ATOM 603 C THR A 39 12.882 20.401 -15.187 1.00 0.00 C ATOM 604 O THR A 39 12.577 19.614 -16.084 1.00 0.00 O ATOM 605 CB THR A 39 15.329 19.816 -15.063 1.00 0.00 C ATOM 606 OG1 THR A 39 15.093 19.022 -13.920 1.00 0.00 O ATOM 607 CG2 THR A 39 16.780 20.293 -15.061 1.00 0.00 C ATOM 0 H THR A 39 14.722 21.499 -13.128 1.00 0.00 H new ATOM 0 HA THR A 39 14.463 21.540 -16.036 1.00 0.00 H new ATOM 0 HB THR A 39 15.188 19.231 -15.972 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.347 18.094 -14.108 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.446 19.431 -15.019 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.978 20.860 -15.970 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.953 20.928 -14.192 1.00 0.00 H new ATOM 615 N GLY A 40 11.995 20.772 -14.250 1.00 0.00 N ATOM 616 CA GLY A 40 10.620 20.248 -14.181 1.00 0.00 C ATOM 617 C GLY A 40 10.538 18.783 -13.718 1.00 0.00 C ATOM 618 O GLY A 40 9.659 18.039 -14.155 1.00 0.00 O ATOM 0 H GLY A 40 12.211 21.446 -13.516 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.038 20.868 -13.499 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.158 20.335 -15.164 1.00 0.00 H new ATOM 622 N GLY A 41 11.482 18.355 -12.872 1.00 0.00 N ATOM 623 CA GLY A 41 11.579 16.980 -12.362 1.00 0.00 C ATOM 624 C GLY A 41 12.301 15.999 -13.291 1.00 0.00 C ATOM 625 O GLY A 41 12.276 14.796 -13.038 1.00 0.00 O ATOM 0 H GLY A 41 12.216 18.967 -12.515 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.097 16.999 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.573 16.606 -12.173 1.00 0.00 H new ATOM 629 N ARG A 42 12.969 16.480 -14.353 1.00 0.00 N ATOM 630 CA ARG A 42 13.763 15.628 -15.264 1.00 0.00 C ATOM 631 C ARG A 42 15.092 15.269 -14.612 1.00 0.00 C ATOM 632 O ARG A 42 16.083 15.969 -14.793 1.00 0.00 O ATOM 633 CB ARG A 42 13.940 16.335 -16.628 1.00 0.00 C ATOM 634 CG ARG A 42 12.736 16.128 -17.557 1.00 0.00 C ATOM 635 CD ARG A 42 12.804 14.774 -18.285 1.00 0.00 C ATOM 636 NE ARG A 42 11.570 14.517 -19.053 1.00 0.00 N ATOM 637 CZ ARG A 42 11.215 14.986 -20.238 1.00 0.00 C ATOM 638 NH1 ARG A 42 11.972 15.788 -20.931 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.071 14.648 -20.757 1.00 0.00 N ATOM 0 H ARG A 42 12.976 17.468 -14.607 1.00 0.00 H new ATOM 0 HA ARG A 42 13.236 14.693 -15.454 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.089 17.402 -16.464 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.840 15.959 -17.115 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.815 16.183 -16.977 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.699 16.934 -18.290 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.662 14.762 -18.957 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.956 13.975 -17.559 1.00 0.00 H new ATOM 0 HE ARG A 42 10.898 13.891 -18.609 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.878 16.078 -20.564 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.659 16.126 -21.841 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.446 14.021 -20.250 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.799 15.010 -21.671 1.00 0.00 H new ATOM 653 N VAL A 43 15.114 14.152 -13.884 1.00 0.00 N ATOM 654 CA VAL A 43 16.287 13.708 -13.100 1.00 0.00 C ATOM 655 C VAL A 43 17.546 13.549 -13.952 1.00 0.00 C ATOM 656 O VAL A 43 18.605 14.004 -13.540 1.00 0.00 O ATOM 657 CB VAL A 43 15.935 12.463 -12.250 1.00 0.00 C ATOM 658 CG1 VAL A 43 15.674 11.200 -13.079 1.00 0.00 C ATOM 659 CG2 VAL A 43 17.016 12.162 -11.210 1.00 0.00 C ATOM 0 H VAL A 43 14.317 13.519 -13.816 1.00 0.00 H new ATOM 0 HA VAL A 43 16.544 14.501 -12.398 1.00 0.00 H new ATOM 0 HB VAL A 43 15.003 12.727 -11.750 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.434 10.371 -12.413 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.838 11.375 -13.756 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.564 10.954 -13.658 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.732 11.281 -10.634 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.964 11.975 -11.714 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.123 13.015 -10.540 1.00 0.00 H new ATOM 669 N ARG A 44 17.428 13.062 -15.194 1.00 0.00 N ATOM 670 CA ARG A 44 18.567 12.957 -16.132 1.00 0.00 C ATOM 671 C ARG A 44 19.207 14.313 -16.466 1.00 0.00 C ATOM 672 O ARG A 44 20.427 14.452 -16.431 1.00 0.00 O ATOM 673 CB ARG A 44 18.169 12.136 -17.379 1.00 0.00 C ATOM 674 CG ARG A 44 17.122 12.776 -18.315 1.00 0.00 C ATOM 675 CD ARG A 44 16.800 11.820 -19.472 1.00 0.00 C ATOM 676 NE ARG A 44 15.864 12.430 -20.442 1.00 0.00 N ATOM 677 CZ ARG A 44 14.600 12.112 -20.669 1.00 0.00 C ATOM 678 NH1 ARG A 44 13.966 11.228 -19.952 1.00 0.00 N ATOM 679 NH2 ARG A 44 13.935 12.693 -21.626 1.00 0.00 N ATOM 0 H ARG A 44 16.545 12.729 -15.582 1.00 0.00 H new ATOM 0 HA ARG A 44 19.361 12.408 -15.625 1.00 0.00 H new ATOM 0 HB2 ARG A 44 19.070 11.937 -17.959 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.785 11.172 -17.045 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.214 13.004 -17.757 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.501 13.720 -18.707 1.00 0.00 H new ATOM 0 HD2 ARG A 44 17.722 11.542 -19.982 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.366 10.902 -19.076 1.00 0.00 H new ATOM 0 HE ARG A 44 16.241 13.191 -21.007 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.445 10.755 -19.185 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.991 11.009 -20.157 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.388 13.399 -22.207 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.961 12.443 -21.795 1.00 0.00 H new ATOM 693 N ILE A 45 18.376 15.340 -16.674 1.00 0.00 N ATOM 694 CA ILE A 45 18.843 16.714 -16.954 1.00 0.00 C ATOM 695 C ILE A 45 19.396 17.347 -15.670 1.00 0.00 C ATOM 696 O ILE A 45 20.413 18.031 -15.709 1.00 0.00 O ATOM 697 CB ILE A 45 17.743 17.575 -17.629 1.00 0.00 C ATOM 698 CG1 ILE A 45 17.174 16.872 -18.885 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.314 18.954 -18.022 1.00 0.00 C ATOM 700 CD1 ILE A 45 16.065 17.647 -19.616 1.00 0.00 C ATOM 0 H ILE A 45 17.360 15.249 -16.654 1.00 0.00 H new ATOM 0 HA ILE A 45 19.657 16.668 -17.678 1.00 0.00 H new ATOM 0 HB ILE A 45 16.934 17.707 -16.911 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.991 16.691 -19.583 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.783 15.898 -18.592 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.533 19.550 -18.495 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.672 19.467 -17.130 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.141 18.820 -18.720 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.731 17.075 -20.481 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.225 17.805 -18.939 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.452 18.611 -19.946 1.00 0.00 H new ATOM 712 N ALA A 46 18.787 17.072 -14.512 1.00 0.00 N ATOM 713 CA ALA A 46 19.247 17.617 -13.230 1.00 0.00 C ATOM 714 C ALA A 46 20.638 17.077 -12.850 1.00 0.00 C ATOM 715 O ALA A 46 21.532 17.859 -12.530 1.00 0.00 O ATOM 716 CB ALA A 46 18.196 17.326 -12.153 1.00 0.00 C ATOM 0 H ALA A 46 17.967 16.470 -14.436 1.00 0.00 H new ATOM 0 HA ALA A 46 19.361 18.697 -13.320 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.533 17.729 -11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.251 17.793 -12.431 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.056 16.249 -12.063 1.00 0.00 H new ATOM 722 N ILE A 47 20.865 15.762 -12.971 1.00 0.00 N ATOM 723 CA ILE A 47 22.191 15.168 -12.719 1.00 0.00 C ATOM 724 C ILE A 47 23.206 15.588 -13.791 1.00 0.00 C ATOM 725 O ILE A 47 24.347 15.888 -13.447 1.00 0.00 O ATOM 726 CB ILE A 47 22.131 13.638 -12.487 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.808 12.826 -13.758 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.155 13.334 -11.339 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.712 11.310 -13.543 1.00 0.00 C ATOM 0 H ILE A 47 20.150 15.087 -13.242 1.00 0.00 H new ATOM 0 HA ILE A 47 22.554 15.576 -11.776 1.00 0.00 H new ATOM 0 HB ILE A 47 23.132 13.310 -12.205 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.863 13.181 -14.169 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.576 13.025 -14.505 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.111 12.257 -11.174 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.498 13.827 -10.429 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.162 13.702 -11.598 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.482 10.822 -14.490 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.663 10.935 -13.163 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.923 11.094 -12.823 1.00 0.00 H new ATOM 741 N ALA A 48 22.789 15.727 -15.057 1.00 0.00 N ATOM 742 CA ALA A 48 23.637 16.296 -16.110 1.00 0.00 C ATOM 743 C ALA A 48 24.096 17.732 -15.784 1.00 0.00 C ATOM 744 O ALA A 48 25.287 18.024 -15.880 1.00 0.00 O ATOM 745 CB ALA A 48 22.873 16.232 -17.438 1.00 0.00 C ATOM 0 H ALA A 48 21.861 15.450 -15.377 1.00 0.00 H new ATOM 0 HA ALA A 48 24.551 15.707 -16.184 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.489 16.652 -18.233 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.636 15.194 -17.672 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.949 16.805 -17.354 1.00 0.00 H new ATOM 751 N LYS A 49 23.194 18.612 -15.321 1.00 0.00 N ATOM 752 CA LYS A 49 23.533 19.995 -14.918 1.00 0.00 C ATOM 753 C LYS A 49 24.475 20.032 -13.711 1.00 0.00 C ATOM 754 O LYS A 49 25.475 20.744 -13.741 1.00 0.00 O ATOM 755 CB LYS A 49 22.237 20.787 -14.645 1.00 0.00 C ATOM 756 CG LYS A 49 21.444 21.122 -15.920 1.00 0.00 C ATOM 757 CD LYS A 49 22.055 22.286 -16.719 1.00 0.00 C ATOM 758 CE LYS A 49 21.233 22.533 -17.995 1.00 0.00 C ATOM 759 NZ LYS A 49 21.776 23.673 -18.793 1.00 0.00 N ATOM 0 H LYS A 49 22.205 18.388 -15.214 1.00 0.00 H new ATOM 0 HA LYS A 49 24.072 20.466 -15.740 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.602 20.210 -13.973 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.488 21.713 -14.129 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.397 20.237 -16.555 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.419 21.374 -15.648 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.074 23.188 -16.108 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.088 22.057 -16.980 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.230 21.630 -18.606 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.197 22.739 -17.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.195 23.808 -19.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.755 24.540 -18.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.756 23.466 -19.072 1.00 0.00 H new ATOM 773 N LEU A 50 24.205 19.218 -12.684 1.00 0.00 N ATOM 774 CA LEU A 50 25.070 19.095 -11.497 1.00 0.00 C ATOM 775 C LEU A 50 26.484 18.592 -11.846 1.00 0.00 C ATOM 776 O LEU A 50 27.457 19.071 -11.260 1.00 0.00 O ATOM 777 CB LEU A 50 24.389 18.171 -10.463 1.00 0.00 C ATOM 778 CG LEU A 50 23.615 18.890 -9.345 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.597 19.905 -9.856 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.855 17.862 -8.507 1.00 0.00 C ATOM 0 H LEU A 50 23.378 18.622 -12.649 1.00 0.00 H new ATOM 0 HA LEU A 50 25.200 20.089 -11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.702 17.509 -10.990 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.152 17.541 -10.006 1.00 0.00 H new ATOM 0 HG LEU A 50 24.364 19.428 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.091 20.371 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.108 20.671 -10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 50 21.863 19.400 -10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.307 18.372 -7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.154 17.321 -9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.561 17.159 -8.065 1.00 0.00 H new ATOM 792 N LEU A 51 26.617 17.672 -12.806 1.00 0.00 N ATOM 793 CA LEU A 51 27.922 17.198 -13.280 1.00 0.00 C ATOM 794 C LEU A 51 28.641 18.246 -14.151 1.00 0.00 C ATOM 795 O LEU A 51 29.800 18.562 -13.880 1.00 0.00 O ATOM 796 CB LEU A 51 27.739 15.858 -14.018 1.00 0.00 C ATOM 797 CG LEU A 51 27.384 14.674 -13.095 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.968 13.469 -13.939 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.561 14.250 -12.213 1.00 0.00 C ATOM 0 H LEU A 51 25.824 17.235 -13.276 1.00 0.00 H new ATOM 0 HA LEU A 51 28.569 17.038 -12.418 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.953 15.971 -14.765 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.658 15.623 -14.555 1.00 0.00 H new ATOM 0 HG LEU A 51 26.570 15.007 -12.452 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.718 12.635 -13.284 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.098 13.730 -14.542 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.791 13.182 -14.594 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.260 13.414 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.397 13.947 -12.843 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.865 15.087 -11.585 1.00 0.00 H new ATOM 1252 N SER A 85 9.489 11.010 -12.247 1.00 0.00 N ATOM 1253 CA SER A 85 9.951 12.403 -12.146 1.00 0.00 C ATOM 1254 C SER A 85 9.282 13.191 -11.013 1.00 0.00 C ATOM 1255 O SER A 85 9.972 13.777 -10.171 1.00 0.00 O ATOM 1256 CB SER A 85 9.714 13.115 -13.488 1.00 0.00 C ATOM 1257 OG SER A 85 8.391 12.885 -13.960 1.00 0.00 O ATOM 0 HA SER A 85 11.014 12.368 -11.908 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.881 14.186 -13.370 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.434 12.759 -14.225 1.00 0.00 H new ATOM 0 HG SER A 85 8.057 12.038 -13.597 1.00 0.00 H new ATOM 1263 N GLN A 86 7.946 13.179 -10.947 1.00 0.00 N ATOM 1264 CA GLN A 86 7.207 13.894 -9.906 1.00 0.00 C ATOM 1265 C GLN A 86 7.328 13.224 -8.528 1.00 0.00 C ATOM 1266 O GLN A 86 7.355 13.933 -7.527 1.00 0.00 O ATOM 1267 CB GLN A 86 5.779 14.259 -10.356 1.00 0.00 C ATOM 1268 CG GLN A 86 4.793 13.117 -10.638 1.00 0.00 C ATOM 1269 CD GLN A 86 4.177 12.513 -9.375 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.410 13.145 -8.657 1.00 0.00 O ATOM 1271 NE2 GLN A 86 4.474 11.272 -9.062 1.00 0.00 N ATOM 0 H GLN A 86 7.353 12.678 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 86 7.689 14.860 -9.756 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.340 14.895 -9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.859 14.861 -11.261 1.00 0.00 H new ATOM 0 HG2 GLN A 86 3.994 13.488 -11.280 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.308 12.332 -11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.111 10.736 -9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.068 10.845 -8.230 1.00 0.00 H new ATOM 1280 N GLN A 87 7.500 11.900 -8.444 1.00 0.00 N ATOM 1281 CA GLN A 87 7.759 11.204 -7.175 1.00 0.00 C ATOM 1282 C GLN A 87 9.121 11.593 -6.578 1.00 0.00 C ATOM 1283 O GLN A 87 9.183 11.987 -5.409 1.00 0.00 O ATOM 1284 CB GLN A 87 7.635 9.686 -7.390 1.00 0.00 C ATOM 1285 CG GLN A 87 7.702 8.883 -6.082 1.00 0.00 C ATOM 1286 CD GLN A 87 7.472 7.392 -6.333 1.00 0.00 C ATOM 1287 OE1 GLN A 87 8.399 6.615 -6.520 1.00 0.00 O ATOM 1288 NE2 GLN A 87 6.234 6.936 -6.363 1.00 0.00 N ATOM 0 H GLN A 87 7.464 11.279 -9.253 1.00 0.00 H new ATOM 0 HA GLN A 87 7.011 11.514 -6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.691 9.472 -7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.432 9.353 -8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.675 9.029 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.952 9.257 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.452 7.573 -6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.059 5.947 -6.540 1.00 0.00 H new ATOM 1297 N ILE A 88 10.200 11.563 -7.377 1.00 0.00 N ATOM 1298 CA ILE A 88 11.526 12.018 -6.923 1.00 0.00 C ATOM 1299 C ILE A 88 11.472 13.500 -6.535 1.00 0.00 C ATOM 1300 O ILE A 88 11.916 13.849 -5.445 1.00 0.00 O ATOM 1301 CB ILE A 88 12.642 11.744 -7.965 1.00 0.00 C ATOM 1302 CG1 ILE A 88 12.772 10.265 -8.405 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.005 12.215 -7.417 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.871 9.225 -7.284 1.00 0.00 C ATOM 0 H ILE A 88 10.181 11.229 -8.340 1.00 0.00 H new ATOM 0 HA ILE A 88 11.788 11.434 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 88 12.347 12.308 -8.850 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.911 10.017 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.657 10.173 -9.035 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.782 12.018 -8.156 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.964 13.284 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.234 11.676 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.958 8.229 -7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.749 9.432 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.977 9.273 -6.663 1.00 0.00 H new ATOM 1316 N LEU A 89 10.882 14.365 -7.372 1.00 0.00 N ATOM 1317 CA LEU A 89 10.759 15.799 -7.064 1.00 0.00 C ATOM 1318 C LEU A 89 9.955 16.054 -5.782 1.00 0.00 C ATOM 1319 O LEU A 89 10.403 16.833 -4.948 1.00 0.00 O ATOM 1320 CB LEU A 89 10.162 16.523 -8.290 1.00 0.00 C ATOM 1321 CG LEU A 89 9.818 18.012 -8.090 1.00 0.00 C ATOM 1322 CD1 LEU A 89 11.021 18.873 -7.696 1.00 0.00 C ATOM 1323 CD2 LEU A 89 9.253 18.584 -9.389 1.00 0.00 C ATOM 0 H LEU A 89 10.481 14.096 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 89 11.750 16.205 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.869 16.441 -9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.256 15.998 -8.592 1.00 0.00 H new ATOM 0 HG LEU A 89 9.096 18.045 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.703 19.908 -7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.438 18.507 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.780 18.817 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.010 19.637 -9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.994 18.486 -10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.351 18.037 -9.665 1.00 0.00 H new ATOM 1335 N ASN A 90 8.826 15.371 -5.573 1.00 0.00 N ATOM 1336 CA ASN A 90 8.019 15.533 -4.361 1.00 0.00 C ATOM 1337 C ASN A 90 8.798 15.107 -3.110 1.00 0.00 C ATOM 1338 O ASN A 90 8.916 15.904 -2.180 1.00 0.00 O ATOM 1339 CB ASN A 90 6.688 14.765 -4.499 1.00 0.00 C ATOM 1340 CG ASN A 90 5.696 15.392 -5.477 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.868 16.489 -5.993 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.595 14.719 -5.733 1.00 0.00 N ATOM 0 H ASN A 90 8.447 14.694 -6.235 1.00 0.00 H new ATOM 0 HA ASN A 90 7.785 16.591 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.902 13.746 -4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.218 14.697 -3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.891 15.112 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.445 13.805 -5.307 1.00 0.00 H new ATOM 1349 N ARG A 91 9.427 13.919 -3.093 1.00 0.00 N ATOM 1350 CA ARG A 91 10.224 13.487 -1.922 1.00 0.00 C ATOM 1351 C ARG A 91 11.457 14.366 -1.695 1.00 0.00 C ATOM 1352 O ARG A 91 11.776 14.675 -0.548 1.00 0.00 O ATOM 1353 CB ARG A 91 10.588 11.992 -2.030 1.00 0.00 C ATOM 1354 CG ARG A 91 9.393 11.019 -1.990 1.00 0.00 C ATOM 1355 CD ARG A 91 8.415 11.318 -0.844 1.00 0.00 C ATOM 1356 NE ARG A 91 7.480 10.203 -0.601 1.00 0.00 N ATOM 1357 CZ ARG A 91 6.380 10.258 0.133 1.00 0.00 C ATOM 1358 NH1 ARG A 91 5.959 11.361 0.682 1.00 0.00 N ATOM 1359 NH2 ARG A 91 5.673 9.182 0.337 1.00 0.00 N ATOM 0 H ARG A 91 9.403 13.248 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 91 9.600 13.615 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.133 11.834 -2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.268 11.741 -1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.859 11.069 -2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.765 10.000 -1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.978 11.523 0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.849 12.220 -1.078 1.00 0.00 H new ATOM 0 HE ARG A 91 7.701 9.309 -1.038 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.483 12.227 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.105 11.359 1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.967 8.294 -0.070 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.826 9.228 0.903 1.00 0.00 H new ATOM 1373 N LEU A 92 12.095 14.850 -2.765 1.00 0.00 N ATOM 1374 CA LEU A 92 13.218 15.789 -2.677 1.00 0.00 C ATOM 1375 C LEU A 92 12.784 17.155 -2.111 1.00 0.00 C ATOM 1376 O LEU A 92 13.480 17.716 -1.266 1.00 0.00 O ATOM 1377 CB LEU A 92 13.871 15.879 -4.070 1.00 0.00 C ATOM 1378 CG LEU A 92 15.166 16.700 -4.158 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.291 16.153 -3.285 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.638 16.665 -5.606 1.00 0.00 C ATOM 0 H LEU A 92 11.846 14.600 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 92 13.961 15.426 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.082 14.867 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.146 16.307 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 92 14.942 17.707 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.175 16.781 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.975 16.152 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.528 15.135 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.559 17.241 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.822 15.633 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.871 17.097 -6.249 1.00 0.00 H new ATOM 1392 N ARG A 93 11.603 17.655 -2.498 1.00 0.00 N ATOM 1393 CA ARG A 93 11.048 18.911 -1.968 1.00 0.00 C ATOM 1394 C ARG A 93 10.646 18.772 -0.504 1.00 0.00 C ATOM 1395 O ARG A 93 10.990 19.635 0.292 1.00 0.00 O ATOM 1396 CB ARG A 93 9.885 19.375 -2.866 1.00 0.00 C ATOM 1397 CG ARG A 93 9.515 20.847 -2.616 1.00 0.00 C ATOM 1398 CD ARG A 93 8.411 21.319 -3.574 1.00 0.00 C ATOM 1399 NE ARG A 93 8.421 22.790 -3.715 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.162 23.500 -4.552 1.00 0.00 C ATOM 1401 NH1 ARG A 93 9.988 22.969 -5.403 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.122 24.796 -4.581 1.00 0.00 N ATOM 0 H ARG A 93 11.004 17.201 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 93 11.817 19.683 -1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.160 19.243 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.013 18.746 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.181 20.970 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.399 21.472 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.551 20.856 -4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.439 20.993 -3.203 1.00 0.00 H new ATOM 0 HE ARG A 93 7.792 23.312 -3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.090 21.955 -5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.534 23.566 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.505 25.302 -3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.707 25.310 -5.240 1.00 0.00 H new ATOM 1416 N GLU A 94 10.015 17.663 -0.118 1.00 0.00 N ATOM 1417 CA GLU A 94 9.658 17.401 1.285 1.00 0.00 C ATOM 1418 C GLU A 94 10.900 17.332 2.190 1.00 0.00 C ATOM 1419 O GLU A 94 10.957 18.043 3.194 1.00 0.00 O ATOM 1420 CB GLU A 94 8.833 16.111 1.403 1.00 0.00 C ATOM 1421 CG GLU A 94 7.418 16.274 0.832 1.00 0.00 C ATOM 1422 CD GLU A 94 6.589 14.992 1.037 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.961 13.927 0.485 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.553 15.035 1.745 1.00 0.00 O ATOM 0 H GLU A 94 9.736 16.922 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 94 9.050 18.239 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.345 15.305 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.769 15.817 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.921 17.114 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.476 16.508 -0.231 1.00 0.00 H new ATOM 1431 N ARG A 95 11.928 16.549 1.816 1.00 0.00 N ATOM 1432 CA ARG A 95 13.152 16.422 2.640 1.00 0.00 C ATOM 1433 C ARG A 95 13.989 17.709 2.685 1.00 0.00 C ATOM 1434 O ARG A 95 14.528 18.041 3.742 1.00 0.00 O ATOM 1435 CB ARG A 95 13.961 15.176 2.231 1.00 0.00 C ATOM 1436 CG ARG A 95 14.652 15.316 0.870 1.00 0.00 C ATOM 1437 CD ARG A 95 15.114 13.975 0.292 1.00 0.00 C ATOM 1438 NE ARG A 95 16.362 13.515 0.920 1.00 0.00 N ATOM 1439 CZ ARG A 95 16.656 12.333 1.416 1.00 0.00 C ATOM 1440 NH1 ARG A 95 15.782 11.378 1.552 1.00 0.00 N ATOM 1441 NH2 ARG A 95 17.880 12.117 1.778 1.00 0.00 N ATOM 0 H ARG A 95 11.940 15.998 0.958 1.00 0.00 H new ATOM 0 HA ARG A 95 12.835 16.272 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.714 14.975 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.296 14.313 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.967 15.791 0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.513 15.977 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.335 13.227 0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.262 14.073 -0.783 1.00 0.00 H new ATOM 0 HE ARG A 95 17.105 14.212 0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 95 14.814 11.528 1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.065 10.480 1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 95 18.580 12.852 1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 95 18.145 11.212 2.167 1.00 0.00 H new ATOM 1455 N VAL A 96 14.072 18.466 1.579 1.00 0.00 N ATOM 1456 CA VAL A 96 14.840 19.729 1.543 1.00 0.00 C ATOM 1457 C VAL A 96 14.092 20.872 2.238 1.00 0.00 C ATOM 1458 O VAL A 96 14.650 21.492 3.142 1.00 0.00 O ATOM 1459 CB VAL A 96 15.280 20.093 0.114 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.941 21.475 0.020 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.319 19.070 -0.360 1.00 0.00 C ATOM 0 H VAL A 96 13.618 18.229 0.697 1.00 0.00 H new ATOM 0 HA VAL A 96 15.754 19.567 2.114 1.00 0.00 H new ATOM 0 HB VAL A 96 14.378 20.097 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.228 21.672 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.237 22.238 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.828 21.498 0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.638 19.318 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.180 19.090 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.878 18.073 -0.353 1.00 0.00 H new ATOM 1471 N SER A 97 12.829 21.129 1.886 1.00 0.00 N ATOM 1472 CA SER A 97 12.053 22.226 2.488 1.00 0.00 C ATOM 1473 C SER A 97 11.710 21.953 3.957 1.00 0.00 C ATOM 1474 O SER A 97 11.830 22.847 4.791 1.00 0.00 O ATOM 1475 CB SER A 97 10.780 22.520 1.683 1.00 0.00 C ATOM 1476 OG SER A 97 11.124 22.915 0.362 1.00 0.00 O ATOM 0 H SER A 97 12.318 20.592 1.185 1.00 0.00 H new ATOM 0 HA SER A 97 12.689 23.110 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.145 21.634 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.205 23.308 2.170 1.00 0.00 H new ATOM 0 HG SER A 97 10.307 23.100 -0.147 1.00 0.00 H new