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 -68:sc= 2.1 USER MOD Set 1.2: A 27 SER OG : rot -96:sc= 1.22 USER MOD Single : A 20 ASN : amide:sc= 0.652 K(o=0.65,f=-5.2!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.329 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0.342 K(o=0.34,f=-4!) USER MOD Single : A 36 MET CE :methyl -178:sc= -0.0255 (180deg=-0.0522) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -84:sc= 1.31 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -24:sc= 0.216 USER MOD Single : A 86 GLN : amide:sc=-0.000659 K(o=-0.00066,f=-0.57) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.775 K(o=0.77,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.253 3.785 -0.306 1.00 0.00 N ATOM 197 CA GLU A 13 13.981 3.345 -1.504 1.00 0.00 C ATOM 198 C GLU A 13 14.185 4.512 -2.491 1.00 0.00 C ATOM 199 O GLU A 13 15.263 4.668 -3.060 1.00 0.00 O ATOM 200 CB GLU A 13 13.215 2.193 -2.168 1.00 0.00 C ATOM 201 CG GLU A 13 13.138 0.927 -1.306 1.00 0.00 C ATOM 202 CD GLU A 13 12.389 -0.194 -2.059 1.00 0.00 C ATOM 203 OE1 GLU A 13 11.155 -0.078 -2.259 1.00 0.00 O ATOM 204 OE2 GLU A 13 13.030 -1.198 -2.457 1.00 0.00 O ATOM 0 HA GLU A 13 14.970 2.995 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.203 2.527 -2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.694 1.948 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.143 0.592 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.627 1.148 -0.369 1.00 0.00 H new ATOM 211 N VAL A 14 13.185 5.392 -2.632 1.00 0.00 N ATOM 212 CA VAL A 14 13.313 6.648 -3.392 1.00 0.00 C ATOM 213 C VAL A 14 14.269 7.629 -2.703 1.00 0.00 C ATOM 214 O VAL A 14 15.099 8.239 -3.369 1.00 0.00 O ATOM 215 CB VAL A 14 11.924 7.279 -3.631 1.00 0.00 C ATOM 216 CG1 VAL A 14 12.026 8.637 -4.333 1.00 0.00 C ATOM 217 CG2 VAL A 14 11.045 6.391 -4.524 1.00 0.00 C ATOM 0 H VAL A 14 12.261 5.255 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 14 13.748 6.413 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 14 11.483 7.391 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.027 9.046 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.610 9.322 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.514 8.511 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.076 6.868 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.530 6.253 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.904 5.421 -4.047 1.00 0.00 H new ATOM 227 N ASP A 15 14.214 7.751 -1.374 1.00 0.00 N ATOM 228 CA ASP A 15 15.181 8.534 -0.591 1.00 0.00 C ATOM 229 C ASP A 15 16.619 7.998 -0.733 1.00 0.00 C ATOM 230 O ASP A 15 17.550 8.775 -0.934 1.00 0.00 O ATOM 231 CB ASP A 15 14.728 8.548 0.873 1.00 0.00 C ATOM 232 CG ASP A 15 15.786 9.134 1.815 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.203 10.297 1.607 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.190 8.421 2.764 1.00 0.00 O ATOM 0 H ASP A 15 13.493 7.307 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 15 15.205 9.553 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.809 9.129 0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.493 7.531 1.186 1.00 0.00 H new ATOM 239 N GLU A 16 16.812 6.679 -0.716 1.00 0.00 N ATOM 240 CA GLU A 16 18.101 6.036 -0.995 1.00 0.00 C ATOM 241 C GLU A 16 18.587 6.318 -2.428 1.00 0.00 C ATOM 242 O GLU A 16 19.768 6.608 -2.630 1.00 0.00 O ATOM 243 CB GLU A 16 17.964 4.526 -0.730 1.00 0.00 C ATOM 244 CG GLU A 16 19.226 3.744 -1.114 1.00 0.00 C ATOM 245 CD GLU A 16 19.091 2.263 -0.711 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.521 1.467 -1.499 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.567 1.880 0.386 1.00 0.00 O ATOM 0 H GLU A 16 16.067 6.015 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 16 18.859 6.454 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.748 4.364 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.115 4.138 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.395 3.820 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.095 4.182 -0.623 1.00 0.00 H new ATOM 254 N ALA A 17 17.691 6.289 -3.420 1.00 0.00 N ATOM 255 CA ALA A 17 18.037 6.628 -4.799 1.00 0.00 C ATOM 256 C ALA A 17 18.444 8.115 -4.939 1.00 0.00 C ATOM 257 O ALA A 17 19.444 8.428 -5.588 1.00 0.00 O ATOM 258 CB ALA A 17 16.861 6.268 -5.715 1.00 0.00 C ATOM 0 H ALA A 17 16.713 6.031 -3.289 1.00 0.00 H new ATOM 0 HA ALA A 17 18.909 6.047 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.113 6.518 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.656 5.200 -5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.978 6.829 -5.411 1.00 0.00 H new ATOM 264 N ILE A 18 17.722 9.023 -4.268 1.00 0.00 N ATOM 265 CA ILE A 18 18.097 10.442 -4.145 1.00 0.00 C ATOM 266 C ILE A 18 19.482 10.580 -3.503 1.00 0.00 C ATOM 267 O ILE A 18 20.336 11.275 -4.050 1.00 0.00 O ATOM 268 CB ILE A 18 17.014 11.215 -3.352 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.753 11.389 -4.225 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.509 12.589 -2.861 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.490 11.659 -3.406 1.00 0.00 C ATOM 0 H ILE A 18 16.851 8.792 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 18 18.156 10.882 -5.141 1.00 0.00 H new ATOM 0 HB ILE A 18 16.777 10.625 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.911 12.213 -4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.606 10.490 -4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.711 13.088 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.370 12.453 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.797 13.199 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.638 11.772 -4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.310 10.824 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.620 12.574 -2.828 1.00 0.00 H new ATOM 283 N ASP A 19 19.740 9.887 -2.392 1.00 0.00 N ATOM 284 CA ASP A 19 21.039 9.908 -1.707 1.00 0.00 C ATOM 285 C ASP A 19 22.182 9.417 -2.615 1.00 0.00 C ATOM 286 O ASP A 19 23.245 10.042 -2.683 1.00 0.00 O ATOM 287 CB ASP A 19 20.949 9.079 -0.417 1.00 0.00 C ATOM 288 CG ASP A 19 21.862 9.661 0.664 1.00 0.00 C ATOM 289 OD1 ASP A 19 21.406 10.612 1.344 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.006 9.178 0.832 1.00 0.00 O ATOM 0 H ASP A 19 19.049 9.290 -1.937 1.00 0.00 H new ATOM 0 HA ASP A 19 21.277 10.941 -1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.919 9.063 -0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.232 8.046 -0.622 1.00 0.00 H new ATOM 295 N ASN A 20 21.931 8.361 -3.397 1.00 0.00 N ATOM 296 CA ASN A 20 22.870 7.879 -4.408 1.00 0.00 C ATOM 297 C ASN A 20 23.063 8.888 -5.561 1.00 0.00 C ATOM 298 O ASN A 20 24.171 8.996 -6.083 1.00 0.00 O ATOM 299 CB ASN A 20 22.419 6.497 -4.914 1.00 0.00 C ATOM 300 CG ASN A 20 23.523 5.775 -5.677 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.707 5.891 -5.385 1.00 0.00 O ATOM 302 ND2 ASN A 20 23.173 4.985 -6.666 1.00 0.00 N ATOM 0 H ASN A 20 21.069 7.818 -3.344 1.00 0.00 H new ATOM 0 HA ASN A 20 23.851 7.776 -3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.106 5.886 -4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.550 6.615 -5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.885 4.472 -7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 20 22.189 4.884 -6.914 1.00 0.00 H new ATOM 309 N ILE A 21 22.048 9.684 -5.921 1.00 0.00 N ATOM 310 CA ILE A 21 22.223 10.814 -6.856 1.00 0.00 C ATOM 311 C ILE A 21 23.119 11.905 -6.248 1.00 0.00 C ATOM 312 O ILE A 21 23.999 12.402 -6.951 1.00 0.00 O ATOM 313 CB ILE A 21 20.863 11.341 -7.380 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.309 10.352 -8.431 1.00 0.00 C ATOM 315 CG2 ILE A 21 21.009 12.749 -7.986 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.817 10.554 -8.734 1.00 0.00 C ATOM 0 H ILE A 21 21.093 9.570 -5.581 1.00 0.00 H new ATOM 0 HA ILE A 21 22.751 10.450 -7.738 1.00 0.00 H new ATOM 0 HB ILE A 21 20.166 11.415 -6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.877 10.460 -9.355 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.465 9.333 -8.077 1.00 0.00 H new ATOM 0 HG21 ILE A 21 20.039 13.093 -8.345 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.378 13.436 -7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.713 12.716 -8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.495 9.827 -9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.238 10.417 -7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.657 11.562 -9.118 1.00 0.00 H new ATOM 328 N LEU A 22 22.985 12.244 -4.959 1.00 0.00 N ATOM 329 CA LEU A 22 23.890 13.213 -4.304 1.00 0.00 C ATOM 330 C LEU A 22 25.346 12.729 -4.347 1.00 0.00 C ATOM 331 O LEU A 22 26.261 13.479 -4.689 1.00 0.00 O ATOM 332 CB LEU A 22 23.513 13.467 -2.832 1.00 0.00 C ATOM 333 CG LEU A 22 22.035 13.681 -2.509 1.00 0.00 C ATOM 334 CD1 LEU A 22 21.876 14.110 -1.052 1.00 0.00 C ATOM 335 CD2 LEU A 22 21.342 14.700 -3.416 1.00 0.00 C ATOM 0 H LEU A 22 22.263 11.866 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 22 23.784 14.143 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 22 23.867 12.621 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 22 24.062 14.344 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 22 21.548 12.722 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 22 20.819 14.260 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 22.277 13.335 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 22 22.418 15.041 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 22 20.296 14.796 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.836 15.667 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 22 21.400 14.364 -4.451 1.00 0.00 H new ATOM 347 N ARG A 23 25.536 11.438 -4.044 1.00 0.00 N ATOM 348 CA ARG A 23 26.822 10.729 -4.095 1.00 0.00 C ATOM 349 C ARG A 23 27.421 10.707 -5.507 1.00 0.00 C ATOM 350 O ARG A 23 28.601 11.015 -5.673 1.00 0.00 O ATOM 351 CB ARG A 23 26.553 9.325 -3.526 1.00 0.00 C ATOM 352 CG ARG A 23 27.720 8.333 -3.636 1.00 0.00 C ATOM 353 CD ARG A 23 27.307 6.977 -3.044 1.00 0.00 C ATOM 354 NE ARG A 23 28.341 5.955 -3.295 1.00 0.00 N ATOM 355 CZ ARG A 23 28.346 5.017 -4.228 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.370 4.855 -5.079 1.00 0.00 N ATOM 357 NH2 ARG A 23 29.361 4.206 -4.323 1.00 0.00 N ATOM 0 H ARG A 23 24.769 10.836 -3.745 1.00 0.00 H new ATOM 0 HA ARG A 23 27.580 11.240 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.281 9.424 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.690 8.903 -4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 23 28.009 8.212 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.591 8.721 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.144 7.079 -1.971 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.361 6.658 -3.481 1.00 0.00 H new ATOM 0 HE ARG A 23 29.150 5.974 -2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 23 26.555 5.467 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.422 4.116 -5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 23 30.147 4.296 -3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 23 29.369 3.481 -5.041 1.00 0.00 H new ATOM 371 N TYR A 24 26.607 10.410 -6.525 1.00 0.00 N ATOM 372 CA TYR A 24 27.023 10.370 -7.934 1.00 0.00 C ATOM 373 C TYR A 24 27.379 11.759 -8.497 1.00 0.00 C ATOM 374 O TYR A 24 28.366 11.900 -9.220 1.00 0.00 O ATOM 375 CB TYR A 24 25.884 9.725 -8.745 1.00 0.00 C ATOM 376 CG TYR A 24 26.106 9.683 -10.246 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.157 8.912 -10.784 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.259 10.409 -11.110 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.368 8.874 -12.174 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.463 10.369 -12.505 1.00 0.00 C ATOM 381 CZ TYR A 24 26.522 9.598 -13.042 1.00 0.00 C ATOM 382 OH TYR A 24 26.731 9.544 -14.388 1.00 0.00 O ATOM 0 H TYR A 24 25.621 10.186 -6.392 1.00 0.00 H new ATOM 0 HA TYR A 24 27.937 9.781 -8.011 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.735 8.706 -8.387 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.962 10.271 -8.545 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.802 8.349 -10.126 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.451 10.998 -10.701 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.180 8.289 -12.579 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.812 10.926 -13.163 1.00 0.00 H new ATOM 0 HH TYR A 24 26.063 10.096 -14.845 1.00 0.00 H new ATOM 392 N THR A 25 26.605 12.793 -8.142 1.00 0.00 N ATOM 393 CA THR A 25 26.804 14.172 -8.640 1.00 0.00 C ATOM 394 C THR A 25 27.718 15.040 -7.758 1.00 0.00 C ATOM 395 O THR A 25 28.002 16.185 -8.118 1.00 0.00 O ATOM 396 CB THR A 25 25.467 14.883 -8.897 1.00 0.00 C ATOM 397 OG1 THR A 25 24.736 14.998 -7.701 1.00 0.00 O ATOM 398 CG2 THR A 25 24.568 14.152 -9.892 1.00 0.00 C ATOM 0 H THR A 25 25.818 12.702 -7.499 1.00 0.00 H new ATOM 0 HA THR A 25 27.328 14.051 -9.588 1.00 0.00 H new ATOM 0 HB THR A 25 25.736 15.855 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.442 14.109 -7.411 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.642 14.711 -10.025 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.080 14.066 -10.850 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.339 13.156 -9.512 1.00 0.00 H new ATOM 406 N ASN A 26 28.197 14.500 -6.628 1.00 0.00 N ATOM 407 CA ASN A 26 29.011 15.203 -5.624 1.00 0.00 C ATOM 408 C ASN A 26 28.344 16.515 -5.150 1.00 0.00 C ATOM 409 O ASN A 26 28.916 17.605 -5.246 1.00 0.00 O ATOM 410 CB ASN A 26 30.465 15.340 -6.124 1.00 0.00 C ATOM 411 CG ASN A 26 31.444 15.780 -5.041 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.160 15.779 -3.849 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.650 16.142 -5.421 1.00 0.00 N ATOM 0 H ASN A 26 28.022 13.527 -6.378 1.00 0.00 H new ATOM 0 HA ASN A 26 29.067 14.606 -4.714 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.792 14.383 -6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.493 16.060 -6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.342 16.420 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.893 16.145 -6.412 1.00 0.00 H new ATOM 420 N SER A 27 27.092 16.393 -4.696 1.00 0.00 N ATOM 421 CA SER A 27 26.198 17.527 -4.402 1.00 0.00 C ATOM 422 C SER A 27 25.417 17.376 -3.084 1.00 0.00 C ATOM 423 O SER A 27 25.535 16.368 -2.380 1.00 0.00 O ATOM 424 CB SER A 27 25.212 17.677 -5.565 1.00 0.00 C ATOM 425 OG SER A 27 24.310 16.588 -5.571 1.00 0.00 O ATOM 0 H SER A 27 26.660 15.487 -4.518 1.00 0.00 H new ATOM 0 HA SER A 27 26.824 18.412 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.664 18.615 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.754 17.718 -6.510 1.00 0.00 H new ATOM 0 HG SER A 27 24.625 15.906 -6.200 1.00 0.00 H new ATOM 431 N THR A 28 24.614 18.388 -2.742 1.00 0.00 N ATOM 432 CA THR A 28 23.621 18.336 -1.653 1.00 0.00 C ATOM 433 C THR A 28 22.205 18.133 -2.196 1.00 0.00 C ATOM 434 O THR A 28 21.914 18.415 -3.359 1.00 0.00 O ATOM 435 CB THR A 28 23.654 19.597 -0.774 1.00 0.00 C ATOM 436 OG1 THR A 28 23.151 20.699 -1.501 1.00 0.00 O ATOM 437 CG2 THR A 28 25.054 19.959 -0.289 1.00 0.00 C ATOM 0 H THR A 28 24.633 19.288 -3.222 1.00 0.00 H new ATOM 0 HA THR A 28 23.894 17.480 -1.035 1.00 0.00 H new ATOM 0 HB THR A 28 23.040 19.373 0.099 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.172 21.500 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.005 20.858 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.458 19.137 0.302 1.00 0.00 H new ATOM 0 HG23 THR A 28 25.701 20.141 -1.147 1.00 0.00 H new ATOM 445 N GLU A 29 21.274 17.706 -1.341 1.00 0.00 N ATOM 446 CA GLU A 29 19.850 17.642 -1.695 1.00 0.00 C ATOM 447 C GLU A 29 19.270 19.024 -2.030 1.00 0.00 C ATOM 448 O GLU A 29 18.432 19.117 -2.919 1.00 0.00 O ATOM 449 CB GLU A 29 19.028 16.919 -0.611 1.00 0.00 C ATOM 450 CG GLU A 29 19.178 17.455 0.822 1.00 0.00 C ATOM 451 CD GLU A 29 20.350 16.784 1.557 1.00 0.00 C ATOM 452 OE1 GLU A 29 21.502 17.263 1.428 1.00 0.00 O ATOM 453 OE2 GLU A 29 20.110 15.751 2.225 1.00 0.00 O ATOM 0 H GLU A 29 21.480 17.397 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 29 19.777 17.048 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 29 17.975 16.970 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.308 15.865 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.335 18.533 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 29 18.254 17.282 1.374 1.00 0.00 H new ATOM 460 N GLN A 30 19.768 20.108 -1.418 1.00 0.00 N ATOM 461 CA GLN A 30 19.373 21.477 -1.783 1.00 0.00 C ATOM 462 C GLN A 30 19.797 21.809 -3.224 1.00 0.00 C ATOM 463 O GLN A 30 18.980 22.277 -4.016 1.00 0.00 O ATOM 464 CB GLN A 30 19.974 22.490 -0.791 1.00 0.00 C ATOM 465 CG GLN A 30 19.416 22.335 0.633 1.00 0.00 C ATOM 466 CD GLN A 30 20.081 23.302 1.611 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.003 22.958 2.337 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.657 24.549 1.666 1.00 0.00 N ATOM 0 H GLN A 30 20.451 20.062 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 30 18.286 21.543 -1.731 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.057 22.369 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.774 23.501 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.340 22.511 0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.569 21.311 0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.889 24.853 1.068 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.097 25.209 2.307 1.00 0.00 H new ATOM 477 N GLN A 31 21.039 21.477 -3.594 1.00 0.00 N ATOM 478 CA GLN A 31 21.550 21.676 -4.957 1.00 0.00 C ATOM 479 C GLN A 31 20.792 20.815 -5.981 1.00 0.00 C ATOM 480 O GLN A 31 20.472 21.297 -7.066 1.00 0.00 O ATOM 481 CB GLN A 31 23.049 21.350 -4.980 1.00 0.00 C ATOM 482 CG GLN A 31 23.904 22.387 -4.231 1.00 0.00 C ATOM 483 CD GLN A 31 25.335 21.915 -3.963 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.706 20.772 -4.190 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.190 22.775 -3.452 1.00 0.00 N ATOM 0 H GLN A 31 21.719 21.062 -2.957 1.00 0.00 H new ATOM 0 HA GLN A 31 21.394 22.717 -5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.208 20.368 -4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.386 21.290 -6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.936 23.309 -4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.424 22.625 -3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.896 23.732 -3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.147 22.485 -3.251 1.00 0.00 H new ATOM 494 N PHE A 32 20.445 19.572 -5.635 1.00 0.00 N ATOM 495 CA PHE A 32 19.633 18.703 -6.496 1.00 0.00 C ATOM 496 C PHE A 32 18.178 19.192 -6.617 1.00 0.00 C ATOM 497 O PHE A 32 17.635 19.187 -7.721 1.00 0.00 O ATOM 498 CB PHE A 32 19.749 17.254 -5.998 1.00 0.00 C ATOM 499 CG PHE A 32 19.008 16.179 -6.783 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.765 16.289 -8.170 1.00 0.00 C ATOM 501 CD2 PHE A 32 18.582 15.023 -6.107 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.050 15.285 -8.847 1.00 0.00 C ATOM 503 CE2 PHE A 32 17.877 14.014 -6.787 1.00 0.00 C ATOM 504 CZ PHE A 32 17.588 14.155 -8.152 1.00 0.00 C ATOM 0 H PHE A 32 20.718 19.139 -4.753 1.00 0.00 H new ATOM 0 HA PHE A 32 20.020 18.744 -7.514 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.806 16.988 -5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.394 17.223 -4.968 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.130 17.148 -8.713 1.00 0.00 H new ATOM 0 HD2 PHE A 32 18.798 14.908 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.855 15.383 -9.905 1.00 0.00 H new ATOM 0 HE2 PHE A 32 17.558 13.129 -6.257 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.013 13.399 -8.666 1.00 0.00 H new ATOM 514 N LEU A 33 17.563 19.703 -5.541 1.00 0.00 N ATOM 515 CA LEU A 33 16.229 20.328 -5.589 1.00 0.00 C ATOM 516 C LEU A 33 16.234 21.561 -6.498 1.00 0.00 C ATOM 517 O LEU A 33 15.369 21.687 -7.358 1.00 0.00 O ATOM 518 CB LEU A 33 15.750 20.601 -4.141 1.00 0.00 C ATOM 519 CG LEU A 33 14.351 21.214 -3.885 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.257 22.702 -4.224 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.251 20.474 -4.648 1.00 0.00 C ATOM 0 H LEU A 33 17.976 19.696 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 33 15.503 19.653 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.791 19.654 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.482 21.262 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 33 14.202 21.101 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.248 23.059 -4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.970 23.259 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.486 22.850 -5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.287 20.938 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.453 20.525 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.228 19.431 -4.332 1.00 0.00 H new ATOM 533 N GLU A 34 17.240 22.425 -6.383 1.00 0.00 N ATOM 534 CA GLU A 34 17.404 23.588 -7.269 1.00 0.00 C ATOM 535 C GLU A 34 17.645 23.195 -8.736 1.00 0.00 C ATOM 536 O GLU A 34 17.058 23.797 -9.636 1.00 0.00 O ATOM 537 CB GLU A 34 18.535 24.492 -6.752 1.00 0.00 C ATOM 538 CG GLU A 34 18.120 25.282 -5.503 1.00 0.00 C ATOM 539 CD GLU A 34 19.261 26.210 -5.039 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.123 25.778 -4.236 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.299 27.386 -5.478 1.00 0.00 O ATOM 0 H GLU A 34 17.968 22.343 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 34 16.464 24.139 -7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.408 23.882 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.831 25.187 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.230 25.873 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.857 24.592 -4.701 1.00 0.00 H new ATOM 548 N ALA A 35 18.432 22.147 -8.988 1.00 0.00 N ATOM 549 CA ALA A 35 18.642 21.611 -10.337 1.00 0.00 C ATOM 550 C ALA A 35 17.352 21.023 -10.932 1.00 0.00 C ATOM 551 O ALA A 35 17.038 21.274 -12.095 1.00 0.00 O ATOM 552 CB ALA A 35 19.778 20.578 -10.294 1.00 0.00 C ATOM 0 H ALA A 35 18.943 21.644 -8.262 1.00 0.00 H new ATOM 0 HA ALA A 35 18.929 22.427 -11.000 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.941 20.174 -11.293 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.692 21.057 -9.943 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.508 19.769 -9.615 1.00 0.00 H new ATOM 558 N MET A 36 16.557 20.300 -10.136 1.00 0.00 N ATOM 559 CA MET A 36 15.241 19.786 -10.548 1.00 0.00 C ATOM 560 C MET A 36 14.241 20.917 -10.815 1.00 0.00 C ATOM 561 O MET A 36 13.547 20.888 -11.827 1.00 0.00 O ATOM 562 CB MET A 36 14.710 18.827 -9.470 1.00 0.00 C ATOM 563 CG MET A 36 15.459 17.488 -9.471 1.00 0.00 C ATOM 564 SD MET A 36 14.946 16.331 -10.768 1.00 0.00 S ATOM 565 CE MET A 36 13.422 15.693 -10.024 1.00 0.00 C ATOM 0 H MET A 36 16.809 20.052 -9.179 1.00 0.00 H new ATOM 0 HA MET A 36 15.361 19.247 -11.488 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.805 19.295 -8.490 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.648 18.648 -9.636 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.526 17.684 -9.580 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.321 17.010 -8.501 1.00 0.00 H new ATOM 0 HE1 MET A 36 12.988 14.936 -10.677 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.648 15.250 -9.054 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.712 16.509 -9.893 1.00 0.00 H new ATOM 575 N GLU A 37 14.209 21.947 -9.966 1.00 0.00 N ATOM 576 CA GLU A 37 13.334 23.116 -10.145 1.00 0.00 C ATOM 577 C GLU A 37 13.687 23.900 -11.428 1.00 0.00 C ATOM 578 O GLU A 37 12.800 24.323 -12.172 1.00 0.00 O ATOM 579 CB GLU A 37 13.453 24.022 -8.903 1.00 0.00 C ATOM 580 CG GLU A 37 12.283 24.997 -8.728 1.00 0.00 C ATOM 581 CD GLU A 37 11.102 24.326 -8.001 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.388 23.491 -8.604 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.880 24.598 -6.798 1.00 0.00 O ATOM 0 H GLU A 37 14.791 21.997 -9.130 1.00 0.00 H new ATOM 0 HA GLU A 37 12.305 22.773 -10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.526 23.395 -8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.380 24.591 -8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.614 25.868 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.956 25.356 -9.704 1.00 0.00 H new ATOM 590 N SER A 38 14.986 24.030 -11.727 1.00 0.00 N ATOM 591 CA SER A 38 15.494 24.698 -12.939 1.00 0.00 C ATOM 592 C SER A 38 15.239 23.899 -14.233 1.00 0.00 C ATOM 593 O SER A 38 15.054 24.488 -15.301 1.00 0.00 O ATOM 594 CB SER A 38 16.997 24.949 -12.757 1.00 0.00 C ATOM 595 OG SER A 38 17.512 25.757 -13.805 1.00 0.00 O ATOM 0 H SER A 38 15.727 23.670 -11.126 1.00 0.00 H new ATOM 0 HA SER A 38 14.950 25.635 -13.057 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.174 25.436 -11.798 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.527 23.997 -12.734 1.00 0.00 H new ATOM 0 HG SER A 38 18.471 25.903 -13.664 1.00 0.00 H new ATOM 601 N THR A 39 15.186 22.560 -14.148 1.00 0.00 N ATOM 602 CA THR A 39 15.056 21.651 -15.314 1.00 0.00 C ATOM 603 C THR A 39 13.656 21.036 -15.491 1.00 0.00 C ATOM 604 O THR A 39 13.453 20.192 -16.363 1.00 0.00 O ATOM 605 CB THR A 39 16.138 20.557 -15.296 1.00 0.00 C ATOM 606 OG1 THR A 39 16.037 19.798 -14.118 1.00 0.00 O ATOM 607 CG2 THR A 39 17.554 21.129 -15.365 1.00 0.00 C ATOM 0 H THR A 39 15.232 22.065 -13.258 1.00 0.00 H new ATOM 0 HA THR A 39 15.208 22.287 -16.186 1.00 0.00 H new ATOM 0 HB THR A 39 15.967 19.941 -16.179 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.523 20.249 -13.396 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.277 20.313 -15.349 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.671 21.700 -16.286 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.725 21.782 -14.509 1.00 0.00 H new ATOM 615 N GLY A 40 12.671 21.455 -14.686 1.00 0.00 N ATOM 616 CA GLY A 40 11.273 21.004 -14.802 1.00 0.00 C ATOM 617 C GLY A 40 11.005 19.594 -14.252 1.00 0.00 C ATOM 618 O GLY A 40 10.055 18.933 -14.675 1.00 0.00 O ATOM 0 H GLY A 40 12.820 22.122 -13.929 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.632 21.712 -14.276 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.983 21.031 -15.852 1.00 0.00 H new ATOM 622 N GLY A 41 11.854 19.118 -13.333 1.00 0.00 N ATOM 623 CA GLY A 41 11.701 17.819 -12.662 1.00 0.00 C ATOM 624 C GLY A 41 12.230 16.603 -13.434 1.00 0.00 C ATOM 625 O GLY A 41 12.038 15.473 -12.989 1.00 0.00 O ATOM 0 H GLY A 41 12.681 19.632 -13.029 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.212 17.866 -11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.643 17.661 -12.454 1.00 0.00 H new ATOM 629 N ARG A 42 12.913 16.799 -14.571 1.00 0.00 N ATOM 630 CA ARG A 42 13.568 15.708 -15.325 1.00 0.00 C ATOM 631 C ARG A 42 14.885 15.319 -14.653 1.00 0.00 C ATOM 632 O ARG A 42 15.897 15.977 -14.870 1.00 0.00 O ATOM 633 CB ARG A 42 13.782 16.164 -16.787 1.00 0.00 C ATOM 634 CG ARG A 42 12.543 15.979 -17.677 1.00 0.00 C ATOM 635 CD ARG A 42 12.352 14.510 -18.090 1.00 0.00 C ATOM 636 NE ARG A 42 11.288 14.384 -19.110 1.00 0.00 N ATOM 637 CZ ARG A 42 10.859 13.274 -19.689 1.00 0.00 C ATOM 638 NH1 ARG A 42 11.363 12.103 -19.410 1.00 0.00 N ATOM 639 NH2 ARG A 42 9.907 13.319 -20.574 1.00 0.00 N ATOM 0 H ARG A 42 13.030 17.718 -14.998 1.00 0.00 H new ATOM 0 HA ARG A 42 12.934 14.822 -15.329 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.069 17.215 -16.792 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.613 15.604 -17.215 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.657 16.325 -17.144 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.640 16.598 -18.569 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.288 14.114 -18.484 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.096 13.912 -17.215 1.00 0.00 H new ATOM 0 HE ARG A 42 10.834 15.250 -19.400 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.114 12.021 -18.725 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.006 11.270 -19.877 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.486 14.214 -20.826 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.581 12.460 -21.017 1.00 0.00 H new ATOM 653 N VAL A 43 14.899 14.206 -13.910 1.00 0.00 N ATOM 654 CA VAL A 43 16.085 13.737 -13.148 1.00 0.00 C ATOM 655 C VAL A 43 17.331 13.643 -14.033 1.00 0.00 C ATOM 656 O VAL A 43 18.379 14.140 -13.636 1.00 0.00 O ATOM 657 CB VAL A 43 15.810 12.394 -12.426 1.00 0.00 C ATOM 658 CG1 VAL A 43 17.019 11.918 -11.603 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.636 12.522 -11.446 1.00 0.00 C ATOM 0 H VAL A 43 14.088 13.595 -13.814 1.00 0.00 H new ATOM 0 HA VAL A 43 16.283 14.487 -12.383 1.00 0.00 H new ATOM 0 HB VAL A 43 15.588 11.678 -13.217 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.778 10.973 -11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.876 11.778 -12.262 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.261 12.665 -10.847 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.466 11.564 -10.954 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.869 13.279 -10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.738 12.814 -11.990 1.00 0.00 H new ATOM 669 N ARG A 44 17.218 13.136 -15.273 1.00 0.00 N ATOM 670 CA ARG A 44 18.359 13.042 -16.210 1.00 0.00 C ATOM 671 C ARG A 44 18.978 14.403 -16.560 1.00 0.00 C ATOM 672 O ARG A 44 20.196 14.557 -16.526 1.00 0.00 O ATOM 673 CB ARG A 44 17.962 12.205 -17.451 1.00 0.00 C ATOM 674 CG ARG A 44 16.956 12.856 -18.423 1.00 0.00 C ATOM 675 CD ARG A 44 16.567 11.869 -19.533 1.00 0.00 C ATOM 676 NE ARG A 44 15.693 12.499 -20.546 1.00 0.00 N ATOM 677 CZ ARG A 44 15.109 11.896 -21.567 1.00 0.00 C ATOM 678 NH1 ARG A 44 15.224 10.616 -21.774 1.00 0.00 N ATOM 679 NH2 ARG A 44 14.390 12.578 -22.413 1.00 0.00 N ATOM 0 H ARG A 44 16.341 12.781 -15.655 1.00 0.00 H new ATOM 0 HA ARG A 44 19.164 12.514 -15.699 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.869 11.966 -18.007 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.542 11.260 -17.106 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.065 13.170 -17.878 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.393 13.753 -18.862 1.00 0.00 H new ATOM 0 HD2 ARG A 44 17.468 11.491 -20.015 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.056 11.012 -19.095 1.00 0.00 H new ATOM 0 HE ARG A 44 15.524 13.500 -20.447 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.779 10.044 -21.137 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.759 10.185 -22.573 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.275 13.584 -22.290 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.942 12.106 -23.199 1.00 0.00 H new ATOM 693 N ILE A 45 18.136 15.417 -16.795 1.00 0.00 N ATOM 694 CA ILE A 45 18.590 16.784 -17.126 1.00 0.00 C ATOM 695 C ILE A 45 19.127 17.467 -15.860 1.00 0.00 C ATOM 696 O ILE A 45 20.155 18.132 -15.908 1.00 0.00 O ATOM 697 CB ILE A 45 17.472 17.613 -17.811 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.862 16.860 -19.018 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.038 18.965 -18.298 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.732 17.605 -19.745 1.00 0.00 C ATOM 0 H ILE A 45 17.121 15.319 -16.762 1.00 0.00 H new ATOM 0 HA ILE A 45 19.401 16.719 -17.852 1.00 0.00 H new ATOM 0 HB ILE A 45 16.688 17.778 -17.072 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.656 16.648 -19.734 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.480 15.900 -18.672 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.246 19.540 -18.777 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.428 19.524 -17.447 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.841 18.787 -19.014 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.370 16.997 -20.574 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.914 17.793 -19.050 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.109 18.554 -20.128 1.00 0.00 H new ATOM 712 N ALA A 46 18.495 17.237 -14.708 1.00 0.00 N ATOM 713 CA ALA A 46 18.936 17.782 -13.424 1.00 0.00 C ATOM 714 C ALA A 46 20.334 17.270 -13.047 1.00 0.00 C ATOM 715 O ALA A 46 21.222 18.075 -12.778 1.00 0.00 O ATOM 716 CB ALA A 46 17.893 17.431 -12.355 1.00 0.00 C ATOM 0 H ALA A 46 17.655 16.662 -14.640 1.00 0.00 H new ATOM 0 HA ALA A 46 19.018 18.866 -13.499 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.210 17.832 -11.392 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.931 17.864 -12.629 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.796 16.348 -12.283 1.00 0.00 H new ATOM 722 N ILE A 47 20.575 15.953 -13.100 1.00 0.00 N ATOM 723 CA ILE A 47 21.903 15.388 -12.804 1.00 0.00 C ATOM 724 C ILE A 47 22.929 15.773 -13.881 1.00 0.00 C ATOM 725 O ILE A 47 24.068 16.079 -13.534 1.00 0.00 O ATOM 726 CB ILE A 47 21.855 13.868 -12.511 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.550 13.011 -13.758 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.882 13.606 -11.347 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.410 11.509 -13.482 1.00 0.00 C ATOM 0 H ILE A 47 19.870 15.258 -13.345 1.00 0.00 H new ATOM 0 HA ILE A 47 22.248 15.841 -11.875 1.00 0.00 H new ATOM 0 HB ILE A 47 22.853 13.548 -12.210 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.627 13.371 -14.213 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.345 13.160 -14.489 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.845 12.537 -11.137 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.225 14.138 -10.460 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.887 13.957 -11.619 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.196 10.986 -14.414 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.339 11.129 -13.057 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.595 11.343 -12.778 1.00 0.00 H new ATOM 741 N ALA A 48 22.527 15.876 -15.156 1.00 0.00 N ATOM 742 CA ALA A 48 23.392 16.384 -16.224 1.00 0.00 C ATOM 743 C ALA A 48 23.859 17.834 -15.980 1.00 0.00 C ATOM 744 O ALA A 48 25.057 18.110 -16.033 1.00 0.00 O ATOM 745 CB ALA A 48 22.637 16.256 -17.552 1.00 0.00 C ATOM 0 H ALA A 48 21.595 15.609 -15.473 1.00 0.00 H new ATOM 0 HA ALA A 48 24.304 15.788 -16.248 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.262 16.629 -18.363 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.394 15.209 -17.733 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.717 16.839 -17.505 1.00 0.00 H new ATOM 751 N LYS A 49 22.947 18.756 -15.634 1.00 0.00 N ATOM 752 CA LYS A 49 23.293 20.159 -15.318 1.00 0.00 C ATOM 753 C LYS A 49 24.094 20.276 -14.017 1.00 0.00 C ATOM 754 O LYS A 49 25.036 21.059 -13.950 1.00 0.00 O ATOM 755 CB LYS A 49 22.009 21.016 -15.263 1.00 0.00 C ATOM 756 CG LYS A 49 21.317 21.212 -16.627 1.00 0.00 C ATOM 757 CD LYS A 49 22.107 21.998 -17.687 1.00 0.00 C ATOM 758 CE LYS A 49 22.421 23.437 -17.242 1.00 0.00 C ATOM 759 NZ LYS A 49 23.070 24.222 -18.332 1.00 0.00 N ATOM 0 H LYS A 49 21.949 18.555 -15.564 1.00 0.00 H new ATOM 0 HA LYS A 49 23.936 20.535 -16.114 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.304 20.549 -14.575 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.257 21.994 -14.851 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.082 20.229 -17.035 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.369 21.723 -16.459 1.00 0.00 H new ATOM 0 HD2 LYS A 49 23.040 21.476 -17.901 1.00 0.00 H new ATOM 0 HD3 LYS A 49 21.536 22.025 -18.615 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.500 23.932 -16.936 1.00 0.00 H new ATOM 0 HE3 LYS A 49 23.076 23.414 -16.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 23.267 25.186 -17.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 23.962 23.763 -18.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.435 24.265 -19.154 1.00 0.00 H new ATOM 773 N LEU A 50 23.773 19.453 -13.016 1.00 0.00 N ATOM 774 CA LEU A 50 24.469 19.410 -11.718 1.00 0.00 C ATOM 775 C LEU A 50 25.906 18.859 -11.831 1.00 0.00 C ATOM 776 O LEU A 50 26.783 19.282 -11.079 1.00 0.00 O ATOM 777 CB LEU A 50 23.569 18.606 -10.758 1.00 0.00 C ATOM 778 CG LEU A 50 23.960 18.568 -9.273 1.00 0.00 C ATOM 779 CD1 LEU A 50 24.066 19.958 -8.649 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.864 17.800 -8.534 1.00 0.00 C ATOM 0 H LEU A 50 23.007 18.782 -13.082 1.00 0.00 H new ATOM 0 HA LEU A 50 24.617 20.416 -11.325 1.00 0.00 H new ATOM 0 HB2 LEU A 50 22.559 19.010 -10.828 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.527 17.579 -11.120 1.00 0.00 H new ATOM 0 HG LEU A 50 24.940 18.098 -9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.345 19.865 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.824 20.537 -9.176 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.104 20.465 -8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.106 17.751 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 50 21.910 18.311 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.793 16.790 -8.937 1.00 0.00 H new ATOM 792 N LEU A 51 26.176 17.972 -12.797 1.00 0.00 N ATOM 793 CA LEU A 51 27.534 17.538 -13.162 1.00 0.00 C ATOM 794 C LEU A 51 28.274 18.597 -14.001 1.00 0.00 C ATOM 795 O LEU A 51 29.380 19.001 -13.643 1.00 0.00 O ATOM 796 CB LEU A 51 27.452 16.199 -13.924 1.00 0.00 C ATOM 797 CG LEU A 51 27.151 14.980 -13.036 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.756 13.790 -13.908 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.364 14.571 -12.198 1.00 0.00 C ATOM 0 H LEU A 51 25.448 17.528 -13.356 1.00 0.00 H new ATOM 0 HA LEU A 51 28.109 17.405 -12.245 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.678 16.277 -14.688 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.396 16.031 -14.442 1.00 0.00 H new ATOM 0 HG LEU A 51 26.338 15.263 -12.367 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.544 12.929 -13.274 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.868 14.042 -14.487 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.574 13.548 -14.586 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.108 13.706 -11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.193 14.316 -12.858 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.656 15.399 -11.552 1.00 0.00 H new ATOM 1252 N SER A 85 9.956 10.354 -12.000 1.00 0.00 N ATOM 1253 CA SER A 85 10.415 11.743 -11.848 1.00 0.00 C ATOM 1254 C SER A 85 9.616 12.527 -10.800 1.00 0.00 C ATOM 1255 O SER A 85 10.203 13.204 -9.959 1.00 0.00 O ATOM 1256 CB SER A 85 10.317 12.447 -13.207 1.00 0.00 C ATOM 1257 OG SER A 85 9.019 12.278 -13.766 1.00 0.00 O ATOM 0 HA SER A 85 11.446 11.713 -11.496 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.533 13.509 -13.089 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.067 12.043 -13.887 1.00 0.00 H new ATOM 0 HG SER A 85 8.601 11.477 -13.387 1.00 0.00 H new ATOM 1263 N GLN A 86 8.288 12.373 -10.790 1.00 0.00 N ATOM 1264 CA GLN A 86 7.406 13.022 -9.812 1.00 0.00 C ATOM 1265 C GLN A 86 7.553 12.430 -8.401 1.00 0.00 C ATOM 1266 O GLN A 86 7.504 13.172 -7.421 1.00 0.00 O ATOM 1267 CB GLN A 86 5.944 12.942 -10.295 1.00 0.00 C ATOM 1268 CG GLN A 86 5.670 13.695 -11.613 1.00 0.00 C ATOM 1269 CD GLN A 86 5.820 15.220 -11.530 1.00 0.00 C ATOM 1270 OE1 GLN A 86 5.979 15.828 -10.478 1.00 0.00 O ATOM 1271 NE2 GLN A 86 5.762 15.909 -12.651 1.00 0.00 N ATOM 0 H GLN A 86 7.791 11.791 -11.464 1.00 0.00 H new ATOM 0 HA GLN A 86 7.706 14.067 -9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.673 11.894 -10.426 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.294 13.345 -9.518 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.350 13.319 -12.377 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.658 13.462 -11.944 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.630 15.426 -13.540 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.849 16.925 -12.630 1.00 0.00 H new ATOM 1280 N GLN A 87 7.799 11.120 -8.275 1.00 0.00 N ATOM 1281 CA GLN A 87 8.056 10.473 -6.978 1.00 0.00 C ATOM 1282 C GLN A 87 9.407 10.913 -6.388 1.00 0.00 C ATOM 1283 O GLN A 87 9.478 11.289 -5.216 1.00 0.00 O ATOM 1284 CB GLN A 87 7.979 8.940 -7.110 1.00 0.00 C ATOM 1285 CG GLN A 87 6.591 8.436 -7.544 1.00 0.00 C ATOM 1286 CD GLN A 87 6.509 6.909 -7.485 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.565 6.296 -6.426 1.00 0.00 O ATOM 1288 NE2 GLN A 87 6.384 6.226 -8.602 1.00 0.00 N ATOM 0 H GLN A 87 7.826 10.478 -9.067 1.00 0.00 H new ATOM 0 HA GLN A 87 7.279 10.794 -6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.722 8.607 -7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.240 8.486 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.827 8.868 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.380 8.774 -8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.335 6.715 -9.496 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.336 5.208 -8.574 1.00 0.00 H new ATOM 1297 N ILE A 88 10.461 10.956 -7.217 1.00 0.00 N ATOM 1298 CA ILE A 88 11.776 11.488 -6.820 1.00 0.00 C ATOM 1299 C ILE A 88 11.635 12.960 -6.421 1.00 0.00 C ATOM 1300 O ILE A 88 12.067 13.333 -5.336 1.00 0.00 O ATOM 1301 CB ILE A 88 12.846 11.252 -7.923 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.466 9.841 -7.854 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.032 12.230 -7.794 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.534 8.667 -8.173 1.00 0.00 C ATOM 0 H ILE A 88 10.427 10.624 -8.181 1.00 0.00 H new ATOM 0 HA ILE A 88 12.136 10.944 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 88 12.307 11.396 -8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.309 9.805 -8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.869 9.694 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.756 12.030 -8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.670 13.254 -7.884 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.509 12.097 -6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.086 7.731 -8.091 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.702 8.661 -7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.149 8.773 -9.187 1.00 0.00 H new ATOM 1316 N LEU A 89 10.982 13.789 -7.239 1.00 0.00 N ATOM 1317 CA LEU A 89 10.770 15.208 -6.923 1.00 0.00 C ATOM 1318 C LEU A 89 9.971 15.411 -5.628 1.00 0.00 C ATOM 1319 O LEU A 89 10.367 16.238 -4.815 1.00 0.00 O ATOM 1320 CB LEU A 89 10.108 15.904 -8.126 1.00 0.00 C ATOM 1321 CG LEU A 89 9.868 17.419 -7.962 1.00 0.00 C ATOM 1322 CD1 LEU A 89 11.133 18.192 -7.576 1.00 0.00 C ATOM 1323 CD2 LEU A 89 9.350 17.986 -9.283 1.00 0.00 C ATOM 0 H LEU A 89 10.587 13.500 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 89 11.741 15.668 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.732 15.745 -9.005 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.151 15.421 -8.323 1.00 0.00 H new ATOM 0 HG LEU A 89 9.146 17.539 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.896 19.251 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.515 17.815 -6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.890 18.061 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.177 19.057 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.087 17.813 -10.067 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.415 17.493 -9.549 1.00 0.00 H new ATOM 1335 N ASN A 90 8.912 14.637 -5.382 1.00 0.00 N ATOM 1336 CA ASN A 90 8.161 14.706 -4.123 1.00 0.00 C ATOM 1337 C ASN A 90 9.045 14.366 -2.913 1.00 0.00 C ATOM 1338 O ASN A 90 9.108 15.152 -1.968 1.00 0.00 O ATOM 1339 CB ASN A 90 6.926 13.789 -4.202 1.00 0.00 C ATOM 1340 CG ASN A 90 6.244 13.681 -2.845 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.391 12.697 -2.134 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.550 14.708 -2.414 1.00 0.00 N ATOM 0 H ASN A 90 8.551 13.949 -6.043 1.00 0.00 H new ATOM 0 HA ASN A 90 7.822 15.732 -3.978 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.223 14.181 -4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.225 12.798 -4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.132 14.687 -1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.429 15.528 -3.009 1.00 0.00 H new ATOM 1349 N ARG A 91 9.782 13.246 -2.943 1.00 0.00 N ATOM 1350 CA ARG A 91 10.643 12.849 -1.814 1.00 0.00 C ATOM 1351 C ARG A 91 11.829 13.792 -1.626 1.00 0.00 C ATOM 1352 O ARG A 91 12.177 14.101 -0.493 1.00 0.00 O ATOM 1353 CB ARG A 91 11.037 11.370 -1.990 1.00 0.00 C ATOM 1354 CG ARG A 91 11.806 10.718 -0.817 1.00 0.00 C ATOM 1355 CD ARG A 91 11.179 10.903 0.576 1.00 0.00 C ATOM 1356 NE ARG A 91 9.714 10.703 0.557 1.00 0.00 N ATOM 1357 CZ ARG A 91 8.801 11.523 1.047 1.00 0.00 C ATOM 1358 NH1 ARG A 91 9.077 12.532 1.808 1.00 0.00 N ATOM 1359 NH2 ARG A 91 7.548 11.396 0.761 1.00 0.00 N ATOM 0 H ARG A 91 9.801 12.600 -3.732 1.00 0.00 H new ATOM 0 HA ARG A 91 10.089 12.939 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.129 10.793 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.648 11.284 -2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.897 9.650 -1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.817 11.126 -0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.632 10.198 1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.403 11.904 0.944 1.00 0.00 H new ATOM 0 HE ARG A 91 9.374 9.846 0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.045 12.730 2.061 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.327 13.129 2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.240 10.647 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.867 12.045 1.155 1.00 0.00 H new ATOM 1373 N LEU A 92 12.377 14.333 -2.715 1.00 0.00 N ATOM 1374 CA LEU A 92 13.434 15.349 -2.686 1.00 0.00 C ATOM 1375 C LEU A 92 12.937 16.680 -2.106 1.00 0.00 C ATOM 1376 O LEU A 92 13.599 17.249 -1.245 1.00 0.00 O ATOM 1377 CB LEU A 92 13.959 15.503 -4.126 1.00 0.00 C ATOM 1378 CG LEU A 92 15.043 16.571 -4.344 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.323 16.266 -3.569 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.359 16.613 -5.835 1.00 0.00 C ATOM 0 H LEU A 92 12.094 14.074 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 92 14.241 15.034 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.356 14.541 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.115 15.735 -4.775 1.00 0.00 H new ATOM 0 HG LEU A 92 14.667 17.528 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.057 17.050 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.101 16.224 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.725 15.307 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.127 17.363 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.719 15.636 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.457 16.870 -6.391 1.00 0.00 H new ATOM 1392 N ARG A 93 11.759 17.160 -2.518 1.00 0.00 N ATOM 1393 CA ARG A 93 11.196 18.427 -2.028 1.00 0.00 C ATOM 1394 C ARG A 93 10.766 18.312 -0.573 1.00 0.00 C ATOM 1395 O ARG A 93 11.026 19.230 0.182 1.00 0.00 O ATOM 1396 CB ARG A 93 10.061 18.893 -2.961 1.00 0.00 C ATOM 1397 CG ARG A 93 9.563 20.312 -2.624 1.00 0.00 C ATOM 1398 CD ARG A 93 8.340 20.738 -3.449 1.00 0.00 C ATOM 1399 NE ARG A 93 8.588 20.753 -4.910 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.156 21.710 -5.630 1.00 0.00 C ATOM 1401 NH1 ARG A 93 9.702 22.764 -5.105 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.186 21.634 -6.924 1.00 0.00 N ATOM 0 H ARG A 93 11.168 16.684 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 93 11.967 19.197 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.411 18.870 -3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.228 18.193 -2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.312 20.359 -1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.372 21.023 -2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.514 20.060 -3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.026 21.732 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 93 8.285 19.926 -5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.707 22.885 -4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.126 23.471 -5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.770 20.832 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.626 22.376 -7.468 1.00 0.00 H new ATOM 1416 N GLU A 94 10.217 17.185 -0.139 1.00 0.00 N ATOM 1417 CA GLU A 94 9.898 16.964 1.281 1.00 0.00 C ATOM 1418 C GLU A 94 11.165 16.807 2.142 1.00 0.00 C ATOM 1419 O GLU A 94 11.241 17.410 3.212 1.00 0.00 O ATOM 1420 CB GLU A 94 8.942 15.769 1.411 1.00 0.00 C ATOM 1421 CG GLU A 94 7.541 16.106 0.867 1.00 0.00 C ATOM 1422 CD GLU A 94 6.517 14.953 0.994 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.772 13.958 1.718 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.429 15.039 0.371 1.00 0.00 O ATOM 0 H GLU A 94 9.979 16.401 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 94 9.393 17.848 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.349 14.916 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.866 15.475 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.158 16.978 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.629 16.385 -0.183 1.00 0.00 H new ATOM 1431 N ARG A 95 12.206 16.103 1.660 1.00 0.00 N ATOM 1432 CA ARG A 95 13.531 16.023 2.326 1.00 0.00 C ATOM 1433 C ARG A 95 14.205 17.397 2.467 1.00 0.00 C ATOM 1434 O ARG A 95 14.782 17.686 3.509 1.00 0.00 O ATOM 1435 CB ARG A 95 14.414 15.008 1.561 1.00 0.00 C ATOM 1436 CG ARG A 95 15.844 14.869 2.122 1.00 0.00 C ATOM 1437 CD ARG A 95 16.611 13.718 1.452 1.00 0.00 C ATOM 1438 NE ARG A 95 18.051 13.759 1.777 1.00 0.00 N ATOM 1439 CZ ARG A 95 18.933 12.781 1.672 1.00 0.00 C ATOM 1440 NH1 ARG A 95 18.658 11.551 1.370 1.00 0.00 N ATOM 1441 NH2 ARG A 95 20.186 13.032 1.868 1.00 0.00 N ATOM 0 H ARG A 95 12.157 15.568 0.793 1.00 0.00 H new ATOM 0 HA ARG A 95 13.391 15.672 3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.930 14.032 1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.473 15.310 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.386 15.803 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.797 14.697 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.192 12.765 1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.480 13.774 0.371 1.00 0.00 H new ATOM 0 HE ARG A 95 18.407 14.649 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.693 11.273 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 95 19.407 10.861 1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 95 20.486 13.978 2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 95 20.874 12.284 1.789 1.00 0.00 H new ATOM 1455 N VAL A 96 14.112 18.244 1.441 1.00 0.00 N ATOM 1456 CA VAL A 96 14.721 19.590 1.448 1.00 0.00 C ATOM 1457 C VAL A 96 13.882 20.612 2.219 1.00 0.00 C ATOM 1458 O VAL A 96 14.422 21.382 3.013 1.00 0.00 O ATOM 1459 CB VAL A 96 15.001 20.055 0.006 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.399 21.534 -0.095 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.173 19.232 -0.528 1.00 0.00 C ATOM 0 H VAL A 96 13.614 18.024 0.578 1.00 0.00 H new ATOM 0 HA VAL A 96 15.670 19.519 1.980 1.00 0.00 H new ATOM 0 HB VAL A 96 14.080 19.921 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 96 15.581 21.791 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.594 22.155 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.306 21.707 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.397 19.538 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.049 19.396 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.910 18.174 -0.515 1.00 0.00 H new ATOM 1471 N SER A 97 12.565 20.623 1.993 1.00 0.00 N ATOM 1472 CA SER A 97 11.665 21.648 2.527 1.00 0.00 C ATOM 1473 C SER A 97 11.298 21.399 4.003 1.00 0.00 C ATOM 1474 O SER A 97 11.142 22.353 4.771 1.00 0.00 O ATOM 1475 CB SER A 97 10.396 21.731 1.666 1.00 0.00 C ATOM 1476 OG SER A 97 9.640 22.885 1.999 1.00 0.00 O ATOM 0 H SER A 97 12.091 19.916 1.431 1.00 0.00 H new ATOM 0 HA SER A 97 12.195 22.599 2.489 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.667 21.760 0.611 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.790 20.837 1.815 1.00 0.00 H new ATOM 0 HG SER A 97 8.836 22.922 1.440 1.00 0.00 H new