USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -144:sc= 0 (180deg=-0.0252) USER MOD Single : A 33 GLN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.073 X(o=-0.073,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.081) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -104:sc=-0.00324 (180deg=-0.398) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -100:sc= -0.106 USER MOD Single : A 72 SER OG : rot 88:sc= 0.0357 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= -0.0734 (180deg=-0.0734) USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 99 MET CE :methyl -165:sc= 0 (180deg=-0.275) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 16 0.753 18.960 -10.871 1.00 0.00 N ATOM 211 CA PRO A 16 -0.413 19.060 -9.956 1.00 0.00 C ATOM 212 C PRO A 16 -0.374 20.376 -9.173 1.00 0.00 C ATOM 213 O PRO A 16 -1.382 20.846 -8.683 1.00 0.00 O ATOM 214 CB PRO A 16 -0.242 17.862 -9.025 1.00 0.00 C ATOM 215 CG PRO A 16 1.221 17.557 -9.056 1.00 0.00 C ATOM 216 CD PRO A 16 1.716 17.945 -10.424 1.00 0.00 C ATOM 0 HA PRO A 16 -1.369 19.053 -10.479 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.575 18.096 -8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.831 17.010 -9.365 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.749 18.114 -8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.400 16.499 -8.866 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.729 18.345 -10.384 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.738 17.089 -11.099 1.00 0.00 H new ATOM 224 N SER A 17 0.782 20.975 -9.054 1.00 0.00 N ATOM 225 CA SER A 17 0.882 22.264 -8.305 1.00 0.00 C ATOM 226 C SER A 17 -0.005 23.329 -8.960 1.00 0.00 C ATOM 227 O SER A 17 -0.399 24.292 -8.331 1.00 0.00 O ATOM 228 CB SER A 17 2.354 22.663 -8.394 1.00 0.00 C ATOM 229 OG SER A 17 2.523 23.959 -7.834 1.00 0.00 O ATOM 0 H SER A 17 1.660 20.629 -9.442 1.00 0.00 H new ATOM 0 HA SER A 17 0.549 22.166 -7.272 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.972 21.940 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.682 22.657 -9.433 1.00 0.00 H new ATOM 0 HG SER A 17 3.467 24.218 -7.888 1.00 0.00 H new ATOM 235 N ALA A 18 -0.320 23.164 -10.218 1.00 0.00 N ATOM 236 CA ALA A 18 -1.180 24.167 -10.911 1.00 0.00 C ATOM 237 C ALA A 18 -2.558 24.238 -10.245 1.00 0.00 C ATOM 238 O ALA A 18 -3.250 25.231 -10.338 1.00 0.00 O ATOM 239 CB ALA A 18 -1.306 23.659 -12.349 1.00 0.00 C ATOM 0 H ALA A 18 -0.019 22.378 -10.795 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.756 25.170 -10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.927 24.346 -12.924 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.316 23.598 -12.802 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.765 22.670 -12.347 1.00 0.00 H new ATOM 245 N ASP A 19 -2.959 23.190 -9.573 1.00 0.00 N ATOM 246 CA ASP A 19 -4.287 23.196 -8.899 1.00 0.00 C ATOM 247 C ASP A 19 -4.412 21.981 -7.978 1.00 0.00 C ATOM 248 O ASP A 19 -4.260 20.856 -8.409 1.00 0.00 O ATOM 249 CB ASP A 19 -5.313 23.124 -10.030 1.00 0.00 C ATOM 250 CG ASP A 19 -6.724 23.236 -9.449 1.00 0.00 C ATOM 251 OD1 ASP A 19 -7.047 22.452 -8.572 1.00 0.00 O ATOM 252 OD2 ASP A 19 -7.458 24.105 -9.892 1.00 0.00 O ATOM 0 H ASP A 19 -2.422 22.330 -9.463 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.432 24.082 -8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.138 23.928 -10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.206 22.185 -10.573 1.00 0.00 H new ATOM 257 N PRO A 20 -4.680 22.255 -6.731 1.00 0.00 N ATOM 258 CA PRO A 20 -4.820 21.175 -5.730 1.00 0.00 C ATOM 259 C PRO A 20 -6.167 20.465 -5.895 1.00 0.00 C ATOM 260 O PRO A 20 -6.259 19.257 -5.786 1.00 0.00 O ATOM 261 CB PRO A 20 -4.753 21.916 -4.402 1.00 0.00 C ATOM 262 CG PRO A 20 -5.205 23.308 -4.701 1.00 0.00 C ATOM 263 CD PRO A 20 -4.875 23.585 -6.141 1.00 0.00 C ATOM 0 HA PRO A 20 -4.058 20.401 -5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.395 21.446 -3.657 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.740 21.910 -3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.276 23.410 -4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.705 24.023 -4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.681 24.126 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.977 24.196 -6.233 1.00 0.00 H new ATOM 271 N GLU A 21 -7.211 21.205 -6.158 1.00 0.00 N ATOM 272 CA GLU A 21 -8.552 20.573 -6.332 1.00 0.00 C ATOM 273 C GLU A 21 -8.533 19.619 -7.530 1.00 0.00 C ATOM 274 O GLU A 21 -9.126 18.558 -7.500 1.00 0.00 O ATOM 275 CB GLU A 21 -9.512 21.736 -6.589 1.00 0.00 C ATOM 276 CG GLU A 21 -10.231 22.103 -5.290 1.00 0.00 C ATOM 277 CD GLU A 21 -11.421 23.012 -5.604 1.00 0.00 C ATOM 278 OE1 GLU A 21 -11.281 23.861 -6.468 1.00 0.00 O ATOM 279 OE2 GLU A 21 -12.453 22.843 -4.975 1.00 0.00 O ATOM 0 H GLU A 21 -7.194 22.220 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.848 19.987 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.963 22.598 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.238 21.459 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.573 21.200 -4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.543 22.608 -4.611 1.00 0.00 H new ATOM 286 N LEU A 22 -7.855 19.991 -8.583 1.00 0.00 N ATOM 287 CA LEU A 22 -7.795 19.108 -9.785 1.00 0.00 C ATOM 288 C LEU A 22 -6.907 17.893 -9.503 1.00 0.00 C ATOM 289 O LEU A 22 -7.137 16.813 -10.012 1.00 0.00 O ATOM 290 CB LEU A 22 -7.187 19.976 -10.889 1.00 0.00 C ATOM 291 CG LEU A 22 -8.076 19.923 -12.133 1.00 0.00 C ATOM 292 CD1 LEU A 22 -9.089 21.068 -12.086 1.00 0.00 C ATOM 293 CD2 LEU A 22 -7.208 20.063 -13.385 1.00 0.00 C ATOM 0 H LEU A 22 -7.340 20.868 -8.663 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.776 18.726 -10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.089 21.005 -10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.184 19.624 -11.131 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.605 18.971 -12.161 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.722 21.030 -12.972 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.707 20.970 -11.194 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.560 22.021 -12.058 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.840 20.025 -14.272 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.679 21.016 -13.356 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.485 19.248 -13.420 1.00 0.00 H new ATOM 305 N ALA A 23 -5.894 18.062 -8.694 1.00 0.00 N ATOM 306 CA ALA A 23 -4.991 16.917 -8.377 1.00 0.00 C ATOM 307 C ALA A 23 -5.701 15.925 -7.453 1.00 0.00 C ATOM 308 O ALA A 23 -5.505 14.728 -7.545 1.00 0.00 O ATOM 309 CB ALA A 23 -3.788 17.543 -7.670 1.00 0.00 C ATOM 0 H ALA A 23 -5.653 18.943 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.696 16.365 -9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.076 16.762 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.308 18.261 -8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.122 18.053 -6.766 1.00 0.00 H new ATOM 315 N LEU A 24 -6.526 16.413 -6.566 1.00 0.00 N ATOM 316 CA LEU A 24 -7.252 15.497 -5.636 1.00 0.00 C ATOM 317 C LEU A 24 -8.261 14.651 -6.417 1.00 0.00 C ATOM 318 O LEU A 24 -8.373 13.458 -6.212 1.00 0.00 O ATOM 319 CB LEU A 24 -7.973 16.418 -4.643 1.00 0.00 C ATOM 320 CG LEU A 24 -7.519 16.104 -3.212 1.00 0.00 C ATOM 321 CD1 LEU A 24 -7.802 14.634 -2.890 1.00 0.00 C ATOM 322 CD2 LEU A 24 -6.017 16.375 -3.078 1.00 0.00 C ATOM 0 H LEU A 24 -6.729 17.405 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.580 14.806 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.760 17.460 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.052 16.286 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.067 16.738 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.478 14.415 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.871 14.441 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.259 13.997 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.696 16.151 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.470 15.744 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.815 17.423 -3.300 1.00 0.00 H new ATOM 334 N ALA A 25 -8.992 15.259 -7.311 1.00 0.00 N ATOM 335 CA ALA A 25 -9.992 14.491 -8.110 1.00 0.00 C ATOM 336 C ALA A 25 -9.276 13.527 -9.060 1.00 0.00 C ATOM 337 O ALA A 25 -9.768 12.457 -9.360 1.00 0.00 O ATOM 338 CB ALA A 25 -10.767 15.546 -8.900 1.00 0.00 C ATOM 0 H ALA A 25 -8.941 16.255 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.650 13.891 -7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.524 15.058 -9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.251 16.236 -8.208 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.080 16.098 -9.541 1.00 0.00 H new ATOM 344 N LEU A 26 -8.116 13.900 -9.531 1.00 0.00 N ATOM 345 CA LEU A 26 -7.364 13.006 -10.460 1.00 0.00 C ATOM 346 C LEU A 26 -6.825 11.789 -9.703 1.00 0.00 C ATOM 347 O LEU A 26 -6.534 10.763 -10.287 1.00 0.00 O ATOM 348 CB LEU A 26 -6.211 13.860 -11.000 1.00 0.00 C ATOM 349 CG LEU A 26 -6.347 14.027 -12.518 1.00 0.00 C ATOM 350 CD1 LEU A 26 -6.353 12.650 -13.191 1.00 0.00 C ATOM 351 CD2 LEU A 26 -7.654 14.761 -12.840 1.00 0.00 C ATOM 0 H LEU A 26 -7.657 14.784 -9.313 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.995 12.626 -11.264 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.214 14.837 -10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.257 13.390 -10.762 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.504 14.608 -12.892 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.450 12.773 -14.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.421 12.131 -12.967 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.193 12.065 -12.816 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.749 14.879 -13.919 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.498 14.184 -12.462 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.646 15.743 -12.367 1.00 0.00 H new ATOM 363 N ARG A 27 -6.697 11.892 -8.406 1.00 0.00 N ATOM 364 CA ARG A 27 -6.184 10.741 -7.612 1.00 0.00 C ATOM 365 C ARG A 27 -7.339 9.800 -7.276 1.00 0.00 C ATOM 366 O ARG A 27 -7.177 8.598 -7.204 1.00 0.00 O ATOM 367 CB ARG A 27 -5.607 11.361 -6.340 1.00 0.00 C ATOM 368 CG ARG A 27 -4.542 10.433 -5.755 1.00 0.00 C ATOM 369 CD ARG A 27 -3.586 11.243 -4.878 1.00 0.00 C ATOM 370 NE ARG A 27 -2.388 11.481 -5.730 1.00 0.00 N ATOM 371 CZ ARG A 27 -1.525 12.402 -5.399 1.00 0.00 C ATOM 372 NH1 ARG A 27 -1.756 13.651 -5.697 1.00 0.00 N ATOM 373 NH2 ARG A 27 -0.428 12.073 -4.772 1.00 0.00 N ATOM 0 H ARG A 27 -6.926 12.725 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.435 10.159 -8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.172 12.335 -6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.401 11.526 -5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.014 9.646 -5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.990 9.944 -6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.040 12.183 -4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.324 10.697 -3.972 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.242 10.924 -6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.612 13.908 -6.189 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.081 14.370 -5.438 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.246 11.096 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.247 12.793 -4.513 1.00 0.00 H new ATOM 387 N VAL A 28 -8.509 10.343 -7.075 1.00 0.00 N ATOM 388 CA VAL A 28 -9.684 9.488 -6.750 1.00 0.00 C ATOM 389 C VAL A 28 -10.134 8.727 -8.000 1.00 0.00 C ATOM 390 O VAL A 28 -10.673 7.640 -7.919 1.00 0.00 O ATOM 391 CB VAL A 28 -10.774 10.459 -6.287 1.00 0.00 C ATOM 392 CG1 VAL A 28 -12.035 9.674 -5.917 1.00 0.00 C ATOM 393 CG2 VAL A 28 -10.282 11.233 -5.060 1.00 0.00 C ATOM 0 H VAL A 28 -8.701 11.344 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.458 8.745 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.002 11.157 -7.093 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.810 10.366 -5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.388 9.121 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.806 8.976 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.058 11.924 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.054 10.533 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.384 11.793 -5.319 1.00 0.00 H new ATOM 403 N SER A 29 -9.911 9.293 -9.157 1.00 0.00 N ATOM 404 CA SER A 29 -10.319 8.608 -10.418 1.00 0.00 C ATOM 405 C SER A 29 -9.297 7.530 -10.786 1.00 0.00 C ATOM 406 O SER A 29 -9.648 6.415 -11.120 1.00 0.00 O ATOM 407 CB SER A 29 -10.340 9.709 -11.478 1.00 0.00 C ATOM 408 OG SER A 29 -11.647 10.264 -11.553 1.00 0.00 O ATOM 0 H SER A 29 -9.463 10.201 -9.283 1.00 0.00 H new ATOM 0 HA SER A 29 -11.286 8.113 -10.326 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.617 10.485 -11.227 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.049 9.303 -12.447 1.00 0.00 H new ATOM 0 HG SER A 29 -11.663 10.972 -12.231 1.00 0.00 H new ATOM 414 N MET A 30 -8.032 7.854 -10.723 1.00 0.00 N ATOM 415 CA MET A 30 -6.984 6.849 -11.065 1.00 0.00 C ATOM 416 C MET A 30 -7.019 5.693 -10.063 1.00 0.00 C ATOM 417 O MET A 30 -6.760 4.554 -10.404 1.00 0.00 O ATOM 418 CB MET A 30 -5.658 7.606 -10.964 1.00 0.00 C ATOM 419 CG MET A 30 -4.513 6.693 -11.406 1.00 0.00 C ATOM 420 SD MET A 30 -4.582 6.465 -13.200 1.00 0.00 S ATOM 421 CE MET A 30 -3.659 7.955 -13.654 1.00 0.00 C ATOM 0 H MET A 30 -7.680 8.771 -10.449 1.00 0.00 H new ATOM 0 HA MET A 30 -7.131 6.418 -12.055 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.688 8.498 -11.590 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.495 7.941 -9.939 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.555 7.128 -11.121 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.587 5.729 -10.903 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.075 8.376 -14.569 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.734 8.688 -12.851 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.612 7.699 -13.815 1.00 0.00 H new ATOM 431 N GLU A 31 -7.339 5.976 -8.828 1.00 0.00 N ATOM 432 CA GLU A 31 -7.393 4.893 -7.802 1.00 0.00 C ATOM 433 C GLU A 31 -8.614 4.002 -8.042 1.00 0.00 C ATOM 434 O GLU A 31 -8.564 2.802 -7.855 1.00 0.00 O ATOM 435 CB GLU A 31 -7.514 5.619 -6.461 1.00 0.00 C ATOM 436 CG GLU A 31 -7.398 4.607 -5.320 1.00 0.00 C ATOM 437 CD GLU A 31 -6.952 5.323 -4.044 1.00 0.00 C ATOM 438 OE1 GLU A 31 -6.076 6.167 -4.137 1.00 0.00 O ATOM 439 OE2 GLU A 31 -7.492 5.013 -2.994 1.00 0.00 O ATOM 0 H GLU A 31 -7.565 6.910 -8.485 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.515 4.248 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.733 6.374 -6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.469 6.141 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.357 4.115 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.681 3.829 -5.582 1.00 0.00 H new ATOM 446 N GLU A 32 -9.709 4.580 -8.460 1.00 0.00 N ATOM 447 CA GLU A 32 -10.933 3.764 -8.716 1.00 0.00 C ATOM 448 C GLU A 32 -10.696 2.825 -9.902 1.00 0.00 C ATOM 449 O GLU A 32 -11.049 1.663 -9.866 1.00 0.00 O ATOM 450 CB GLU A 32 -12.029 4.779 -9.045 1.00 0.00 C ATOM 451 CG GLU A 32 -12.844 5.079 -7.785 1.00 0.00 C ATOM 452 CD GLU A 32 -14.323 5.218 -8.151 1.00 0.00 C ATOM 453 OE1 GLU A 32 -14.639 6.101 -8.933 1.00 0.00 O ATOM 454 OE2 GLU A 32 -15.115 4.440 -7.645 1.00 0.00 O ATOM 0 H GLU A 32 -9.809 5.580 -8.635 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.202 3.142 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.585 5.697 -9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.680 4.387 -9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.713 4.279 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.487 5.997 -7.319 1.00 0.00 H new ATOM 461 N GLN A 33 -10.099 3.322 -10.952 1.00 0.00 N ATOM 462 CA GLN A 33 -9.835 2.459 -12.141 1.00 0.00 C ATOM 463 C GLN A 33 -8.888 1.318 -11.760 1.00 0.00 C ATOM 464 O GLN A 33 -9.016 0.208 -12.238 1.00 0.00 O ATOM 465 CB GLN A 33 -9.179 3.383 -13.173 1.00 0.00 C ATOM 466 CG GLN A 33 -9.961 3.320 -14.488 1.00 0.00 C ATOM 467 CD GLN A 33 -9.403 2.196 -15.361 1.00 0.00 C ATOM 468 OE1 GLN A 33 -8.871 2.443 -16.424 1.00 0.00 O ATOM 469 NE2 GLN A 33 -9.503 0.960 -14.953 1.00 0.00 N ATOM 0 H GLN A 33 -9.783 4.288 -11.038 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.745 2.003 -12.530 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.159 4.407 -12.799 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.144 3.083 -13.339 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.018 3.147 -14.287 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.888 4.273 -15.013 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.950 0.752 -14.060 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.134 0.202 -15.527 1.00 0.00 H new ATOM 478 N ARG A 34 -7.941 1.583 -10.899 1.00 0.00 N ATOM 479 CA ARG A 34 -6.988 0.514 -10.482 1.00 0.00 C ATOM 480 C ARG A 34 -7.711 -0.529 -9.627 1.00 0.00 C ATOM 481 O ARG A 34 -7.427 -1.709 -9.696 1.00 0.00 O ATOM 482 CB ARG A 34 -5.915 1.229 -9.661 1.00 0.00 C ATOM 483 CG ARG A 34 -4.569 0.529 -9.858 1.00 0.00 C ATOM 484 CD ARG A 34 -3.833 1.160 -11.043 1.00 0.00 C ATOM 485 NE ARG A 34 -3.029 0.052 -11.629 1.00 0.00 N ATOM 486 CZ ARG A 34 -2.954 -0.084 -12.925 1.00 0.00 C ATOM 487 NH1 ARG A 34 -4.028 -0.344 -13.618 1.00 0.00 N ATOM 488 NH2 ARG A 34 -1.803 0.040 -13.528 1.00 0.00 N ATOM 0 H ARG A 34 -7.787 2.494 -10.467 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.560 -0.012 -11.335 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.842 2.272 -9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.187 1.226 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.966 0.616 -8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.723 -0.535 -10.037 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.534 1.568 -11.772 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.195 1.983 -10.719 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.537 -0.600 -11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.928 -0.441 -13.147 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.968 -0.450 -14.631 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.963 0.243 -12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.744 -0.066 -14.541 1.00 0.00 H new ATOM 502 N GLN A 35 -8.647 -0.101 -8.821 1.00 0.00 N ATOM 503 CA GLN A 35 -9.392 -1.067 -7.961 1.00 0.00 C ATOM 504 C GLN A 35 -10.143 -2.075 -8.835 1.00 0.00 C ATOM 505 O GLN A 35 -10.206 -3.250 -8.528 1.00 0.00 O ATOM 506 CB GLN A 35 -10.377 -0.212 -7.161 1.00 0.00 C ATOM 507 CG GLN A 35 -10.442 -0.721 -5.719 1.00 0.00 C ATOM 508 CD GLN A 35 -11.158 0.311 -4.845 1.00 0.00 C ATOM 509 OE1 GLN A 35 -12.141 0.002 -4.202 1.00 0.00 O ATOM 510 NE2 GLN A 35 -10.703 1.532 -4.794 1.00 0.00 N ATOM 0 H GLN A 35 -8.927 0.875 -8.721 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.730 -1.638 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.064 0.832 -7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.366 -0.254 -7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.970 -1.674 -5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.436 -0.899 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.877 1.792 -5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.173 2.227 -4.214 1.00 0.00 H new ATOM 519 N ARG A 36 -10.708 -1.625 -9.923 1.00 0.00 N ATOM 520 CA ARG A 36 -11.450 -2.557 -10.821 1.00 0.00 C ATOM 521 C ARG A 36 -10.464 -3.468 -11.557 1.00 0.00 C ATOM 522 O ARG A 36 -10.725 -4.635 -11.773 1.00 0.00 O ATOM 523 CB ARG A 36 -12.191 -1.654 -11.811 1.00 0.00 C ATOM 524 CG ARG A 36 -13.158 -0.746 -11.050 1.00 0.00 C ATOM 525 CD ARG A 36 -14.203 -0.187 -12.018 1.00 0.00 C ATOM 526 NE ARG A 36 -15.337 0.244 -11.152 1.00 0.00 N ATOM 527 CZ ARG A 36 -15.234 1.329 -10.434 1.00 0.00 C ATOM 528 NH1 ARG A 36 -15.562 2.484 -10.947 1.00 0.00 N ATOM 529 NH2 ARG A 36 -14.804 1.260 -9.204 1.00 0.00 N ATOM 0 H ARG A 36 -10.688 -0.652 -10.229 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.136 -3.203 -10.273 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.478 -1.052 -12.374 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.737 -2.260 -12.534 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.648 -1.305 -10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.611 0.070 -10.577 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.803 0.650 -12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.520 -0.943 -12.737 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.193 -0.309 -11.121 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.899 2.538 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.482 3.332 -10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.548 0.358 -8.803 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.724 2.108 -8.643 1.00 0.00 H new ATOM 543 N GLN A 37 -9.331 -2.941 -11.939 1.00 0.00 N ATOM 544 CA GLN A 37 -8.322 -3.773 -12.657 1.00 0.00 C ATOM 545 C GLN A 37 -7.620 -4.716 -11.674 1.00 0.00 C ATOM 546 O GLN A 37 -7.119 -5.755 -12.050 1.00 0.00 O ATOM 547 CB GLN A 37 -7.327 -2.772 -13.245 1.00 0.00 C ATOM 548 CG GLN A 37 -6.301 -3.516 -14.102 1.00 0.00 C ATOM 549 CD GLN A 37 -6.919 -3.854 -15.460 1.00 0.00 C ATOM 550 OE1 GLN A 37 -7.450 -4.931 -15.646 1.00 0.00 O ATOM 551 NE2 GLN A 37 -6.871 -2.975 -16.423 1.00 0.00 N ATOM 0 H GLN A 37 -9.061 -1.970 -11.785 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.774 -4.397 -13.428 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.853 -2.032 -13.849 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.823 -2.230 -12.444 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.411 -2.901 -14.238 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.984 -4.429 -13.598 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.425 -2.071 -16.267 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.279 -3.192 -17.332 1.00 0.00 H new ATOM 560 N GLU A 38 -7.590 -4.362 -10.417 1.00 0.00 N ATOM 561 CA GLU A 38 -6.932 -5.234 -9.401 1.00 0.00 C ATOM 562 C GLU A 38 -7.852 -6.405 -9.065 1.00 0.00 C ATOM 563 O GLU A 38 -7.468 -7.554 -9.167 1.00 0.00 O ATOM 564 CB GLU A 38 -6.725 -4.342 -8.175 1.00 0.00 C ATOM 565 CG GLU A 38 -5.999 -5.136 -7.086 1.00 0.00 C ATOM 566 CD GLU A 38 -5.429 -4.169 -6.045 1.00 0.00 C ATOM 567 OE1 GLU A 38 -6.118 -3.225 -5.701 1.00 0.00 O ATOM 568 OE2 GLU A 38 -4.310 -4.392 -5.611 1.00 0.00 O ATOM 0 H GLU A 38 -7.995 -3.502 -10.048 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.988 -5.650 -9.754 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.144 -3.461 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.686 -3.988 -7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.687 -5.835 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.197 -5.728 -7.526 1.00 0.00 H new ATOM 575 N GLU A 39 -9.072 -6.126 -8.685 1.00 0.00 N ATOM 576 CA GLU A 39 -10.022 -7.232 -8.366 1.00 0.00 C ATOM 577 C GLU A 39 -10.089 -8.184 -9.560 1.00 0.00 C ATOM 578 O GLU A 39 -10.255 -9.380 -9.413 1.00 0.00 O ATOM 579 CB GLU A 39 -11.373 -6.552 -8.139 1.00 0.00 C ATOM 580 CG GLU A 39 -11.336 -5.769 -6.825 1.00 0.00 C ATOM 581 CD GLU A 39 -12.719 -5.803 -6.171 1.00 0.00 C ATOM 582 OE1 GLU A 39 -13.698 -5.749 -6.897 1.00 0.00 O ATOM 583 OE2 GLU A 39 -12.775 -5.881 -4.954 1.00 0.00 O ATOM 0 H GLU A 39 -9.450 -5.184 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.722 -7.812 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.598 -5.881 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.167 -7.298 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.594 -6.200 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.036 -4.738 -7.012 1.00 0.00 H new ATOM 590 N GLU A 40 -9.937 -7.652 -10.744 1.00 0.00 N ATOM 591 CA GLU A 40 -9.964 -8.505 -11.960 1.00 0.00 C ATOM 592 C GLU A 40 -8.568 -9.077 -12.210 1.00 0.00 C ATOM 593 O GLU A 40 -8.417 -10.204 -12.640 1.00 0.00 O ATOM 594 CB GLU A 40 -10.373 -7.565 -13.096 1.00 0.00 C ATOM 595 CG GLU A 40 -11.109 -8.358 -14.177 1.00 0.00 C ATOM 596 CD GLU A 40 -12.618 -8.252 -13.951 1.00 0.00 C ATOM 597 OE1 GLU A 40 -13.165 -7.197 -14.227 1.00 0.00 O ATOM 598 OE2 GLU A 40 -13.201 -9.226 -13.506 1.00 0.00 O ATOM 0 H GLU A 40 -9.795 -6.657 -10.918 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.650 -9.347 -11.870 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.014 -6.772 -12.712 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.491 -7.085 -13.520 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.851 -7.974 -15.164 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.799 -9.403 -14.151 1.00 0.00 H new ATOM 605 N ALA A 41 -7.542 -8.310 -11.932 1.00 0.00 N ATOM 606 CA ALA A 41 -6.155 -8.822 -12.147 1.00 0.00 C ATOM 607 C ALA A 41 -5.862 -9.954 -11.160 1.00 0.00 C ATOM 608 O ALA A 41 -5.524 -11.056 -11.543 1.00 0.00 O ATOM 609 CB ALA A 41 -5.234 -7.631 -11.884 1.00 0.00 C ATOM 0 H ALA A 41 -7.605 -7.359 -11.568 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.015 -9.221 -13.151 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.197 -7.935 -12.024 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.473 -6.826 -12.579 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.375 -7.281 -10.861 1.00 0.00 H new ATOM 615 N ARG A 42 -5.992 -9.686 -9.888 1.00 0.00 N ATOM 616 CA ARG A 42 -5.727 -10.741 -8.866 1.00 0.00 C ATOM 617 C ARG A 42 -6.662 -11.933 -9.084 1.00 0.00 C ATOM 618 O ARG A 42 -6.283 -13.073 -8.895 1.00 0.00 O ATOM 619 CB ARG A 42 -6.015 -10.073 -7.521 1.00 0.00 C ATOM 620 CG ARG A 42 -4.956 -9.005 -7.243 1.00 0.00 C ATOM 621 CD ARG A 42 -4.954 -8.665 -5.752 1.00 0.00 C ATOM 622 NE ARG A 42 -3.579 -8.164 -5.473 1.00 0.00 N ATOM 623 CZ ARG A 42 -3.381 -7.293 -4.522 1.00 0.00 C ATOM 624 NH1 ARG A 42 -3.996 -7.425 -3.378 1.00 0.00 N ATOM 625 NH2 ARG A 42 -2.571 -6.288 -4.715 1.00 0.00 N ATOM 0 H ARG A 42 -6.271 -8.780 -9.512 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.707 -11.122 -8.921 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.007 -9.622 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.013 -10.818 -6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.973 -9.365 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.163 -8.111 -7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.704 -7.910 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.185 -9.542 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.792 -8.502 -6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.631 -8.209 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.841 -6.744 -2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.092 -6.183 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.417 -5.607 -3.971 1.00 0.00 H new ATOM 639 N ARG A 43 -7.881 -11.680 -9.486 1.00 0.00 N ATOM 640 CA ARG A 43 -8.840 -12.801 -9.721 1.00 0.00 C ATOM 641 C ARG A 43 -8.251 -13.793 -10.727 1.00 0.00 C ATOM 642 O ARG A 43 -8.339 -14.994 -10.553 1.00 0.00 O ATOM 643 CB ARG A 43 -10.095 -12.139 -10.292 1.00 0.00 C ATOM 644 CG ARG A 43 -11.133 -11.963 -9.182 1.00 0.00 C ATOM 645 CD ARG A 43 -11.612 -13.338 -8.703 1.00 0.00 C ATOM 646 NE ARG A 43 -13.035 -13.422 -9.137 1.00 0.00 N ATOM 647 CZ ARG A 43 -13.477 -14.504 -9.717 1.00 0.00 C ATOM 648 NH1 ARG A 43 -12.842 -14.999 -10.744 1.00 0.00 N ATOM 649 NH2 ARG A 43 -14.554 -15.089 -9.271 1.00 0.00 N ATOM 0 H ARG A 43 -8.253 -10.747 -9.662 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.055 -13.359 -8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.843 -11.171 -10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.507 -12.750 -11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.700 -11.407 -8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.978 -11.380 -9.549 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.017 -14.139 -9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.523 -13.432 -7.621 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.663 -12.634 -8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.001 -14.540 -11.093 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.187 -15.845 -11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.050 -14.701 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.900 -15.935 -9.724 1.00 0.00 H new ATOM 663 N ALA A 44 -7.644 -13.300 -11.773 1.00 0.00 N ATOM 664 CA ALA A 44 -7.041 -14.212 -12.787 1.00 0.00 C ATOM 665 C ALA A 44 -5.787 -14.874 -12.212 1.00 0.00 C ATOM 666 O ALA A 44 -5.423 -15.971 -12.587 1.00 0.00 O ATOM 667 CB ALA A 44 -6.678 -13.311 -13.969 1.00 0.00 C ATOM 0 H ALA A 44 -7.540 -12.304 -11.969 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.720 -15.012 -13.082 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.227 -13.911 -14.759 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.579 -12.829 -14.349 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.969 -12.550 -13.642 1.00 0.00 H new ATOM 673 N ALA A 45 -5.126 -14.213 -11.298 1.00 0.00 N ATOM 674 CA ALA A 45 -3.896 -14.801 -10.690 1.00 0.00 C ATOM 675 C ALA A 45 -4.273 -15.931 -9.729 1.00 0.00 C ATOM 676 O ALA A 45 -3.616 -16.951 -9.667 1.00 0.00 O ATOM 677 CB ALA A 45 -3.238 -13.648 -9.931 1.00 0.00 C ATOM 0 H ALA A 45 -5.385 -13.291 -10.946 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.228 -15.228 -11.438 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.324 -14.001 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.997 -12.845 -10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.923 -13.275 -9.170 1.00 0.00 H new ATOM 683 N ALA A 46 -5.330 -15.755 -8.980 1.00 0.00 N ATOM 684 CA ALA A 46 -5.754 -16.820 -8.024 1.00 0.00 C ATOM 685 C ALA A 46 -6.216 -18.061 -8.789 1.00 0.00 C ATOM 686 O ALA A 46 -5.945 -19.180 -8.398 1.00 0.00 O ATOM 687 CB ALA A 46 -6.917 -16.210 -7.238 1.00 0.00 C ATOM 0 H ALA A 46 -5.917 -14.921 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.941 -17.134 -7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.285 -16.935 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.575 -15.316 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.721 -15.944 -7.925 1.00 0.00 H new ATOM 693 N ALA A 47 -6.911 -17.872 -9.879 1.00 0.00 N ATOM 694 CA ALA A 47 -7.390 -19.041 -10.674 1.00 0.00 C ATOM 695 C ALA A 47 -6.198 -19.809 -11.250 1.00 0.00 C ATOM 696 O ALA A 47 -6.226 -21.018 -11.370 1.00 0.00 O ATOM 697 CB ALA A 47 -8.237 -18.440 -11.797 1.00 0.00 C ATOM 0 H ALA A 47 -7.168 -16.959 -10.254 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.961 -19.746 -10.070 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.626 -19.240 -12.427 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.067 -17.880 -11.367 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.622 -17.771 -12.399 1.00 0.00 H new ATOM 703 N SER A 48 -5.151 -19.114 -11.608 1.00 0.00 N ATOM 704 CA SER A 48 -3.954 -19.801 -12.175 1.00 0.00 C ATOM 705 C SER A 48 -3.142 -20.455 -11.054 1.00 0.00 C ATOM 706 O SER A 48 -2.822 -21.626 -11.109 1.00 0.00 O ATOM 707 CB SER A 48 -3.143 -18.695 -12.851 1.00 0.00 C ATOM 708 OG SER A 48 -2.737 -19.133 -14.141 1.00 0.00 O ATOM 0 H SER A 48 -5.073 -18.100 -11.532 1.00 0.00 H new ATOM 0 HA SER A 48 -4.224 -20.591 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.742 -17.788 -12.934 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.270 -18.447 -12.247 1.00 0.00 H new ATOM 0 HG SER A 48 -2.218 -18.426 -14.578 1.00 0.00 H new ATOM 714 N ALA A 49 -2.809 -19.705 -10.037 1.00 0.00 N ATOM 715 CA ALA A 49 -2.017 -20.281 -8.910 1.00 0.00 C ATOM 716 C ALA A 49 -2.796 -21.418 -8.243 1.00 0.00 C ATOM 717 O ALA A 49 -2.222 -22.297 -7.627 1.00 0.00 O ATOM 718 CB ALA A 49 -1.818 -19.122 -7.931 1.00 0.00 C ATOM 0 H ALA A 49 -3.051 -18.719 -9.938 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.068 -20.699 -9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.242 -19.466 -7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.281 -18.314 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.789 -18.759 -7.595 1.00 0.00 H new ATOM 724 N ALA A 50 -4.097 -21.411 -8.361 1.00 0.00 N ATOM 725 CA ALA A 50 -4.913 -22.492 -7.736 1.00 0.00 C ATOM 726 C ALA A 50 -5.198 -23.602 -8.753 1.00 0.00 C ATOM 727 O ALA A 50 -6.122 -24.377 -8.594 1.00 0.00 O ATOM 728 CB ALA A 50 -6.212 -21.809 -7.308 1.00 0.00 C ATOM 0 H ALA A 50 -4.631 -20.702 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.401 -22.960 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.870 -22.540 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.988 -21.013 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.706 -21.387 -8.183 1.00 0.00 H new ATOM 734 N GLU A 51 -4.413 -23.686 -9.794 1.00 0.00 N ATOM 735 CA GLU A 51 -4.639 -24.747 -10.818 1.00 0.00 C ATOM 736 C GLU A 51 -3.311 -25.153 -11.461 1.00 0.00 C ATOM 737 O GLU A 51 -2.904 -26.297 -11.396 1.00 0.00 O ATOM 738 CB GLU A 51 -5.565 -24.109 -11.855 1.00 0.00 C ATOM 739 CG GLU A 51 -5.985 -25.161 -12.885 1.00 0.00 C ATOM 740 CD GLU A 51 -7.462 -24.975 -13.237 1.00 0.00 C ATOM 741 OE1 GLU A 51 -7.862 -23.841 -13.445 1.00 0.00 O ATOM 742 OE2 GLU A 51 -8.168 -25.968 -13.293 1.00 0.00 O ATOM 0 H GLU A 51 -3.625 -23.066 -9.979 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.072 -25.650 -10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.445 -23.694 -11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.057 -23.282 -12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.373 -25.070 -13.782 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.819 -26.162 -12.486 1.00 0.00 H new ATOM 749 N ALA A 52 -2.633 -24.225 -12.081 1.00 0.00 N ATOM 750 CA ALA A 52 -1.330 -24.555 -12.728 1.00 0.00 C ATOM 751 C ALA A 52 -0.172 -23.971 -11.915 1.00 0.00 C ATOM 752 O ALA A 52 0.871 -23.645 -12.447 1.00 0.00 O ATOM 753 CB ALA A 52 -1.397 -23.902 -14.110 1.00 0.00 C ATOM 0 H ALA A 52 -2.925 -23.252 -12.168 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.162 -25.630 -12.792 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.472 -24.100 -14.651 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.238 -24.315 -14.667 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.529 -22.826 -13.998 1.00 0.00 H new ATOM 759 N GLY A 53 -0.348 -23.836 -10.627 1.00 0.00 N ATOM 760 CA GLY A 53 0.741 -23.273 -9.777 1.00 0.00 C ATOM 761 C GLY A 53 1.153 -24.303 -8.724 1.00 0.00 C ATOM 762 O GLY A 53 2.008 -25.135 -8.956 1.00 0.00 O ATOM 0 H GLY A 53 -1.200 -24.092 -10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.598 -23.007 -10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.402 -22.358 -9.292 1.00 0.00 H new ATOM 882 N ASP A 63 -21.139 -23.891 -2.492 1.00 0.00 N ATOM 883 CA ASP A 63 -22.471 -23.268 -2.754 1.00 0.00 C ATOM 884 C ASP A 63 -23.252 -23.111 -1.447 1.00 0.00 C ATOM 885 O ASP A 63 -24.075 -22.224 -1.305 1.00 0.00 O ATOM 886 CB ASP A 63 -23.186 -24.241 -3.692 1.00 0.00 C ATOM 887 CG ASP A 63 -24.496 -23.616 -4.174 1.00 0.00 C ATOM 888 OD1 ASP A 63 -24.453 -22.500 -4.663 1.00 0.00 O ATOM 889 OD2 ASP A 63 -25.522 -24.266 -4.045 1.00 0.00 O ATOM 0 HA ASP A 63 -22.381 -22.273 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -22.548 -24.476 -4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -23.387 -25.179 -3.175 1.00 0.00 H new ATOM 894 N ASP A 64 -22.995 -23.956 -0.484 1.00 0.00 N ATOM 895 CA ASP A 64 -23.720 -23.843 0.810 1.00 0.00 C ATOM 896 C ASP A 64 -23.125 -22.701 1.621 1.00 0.00 C ATOM 897 O ASP A 64 -23.816 -22.029 2.359 1.00 0.00 O ATOM 898 CB ASP A 64 -23.512 -25.180 1.521 1.00 0.00 C ATOM 899 CG ASP A 64 -22.015 -25.433 1.725 1.00 0.00 C ATOM 900 OD1 ASP A 64 -21.409 -26.023 0.846 1.00 0.00 O ATOM 901 OD2 ASP A 64 -21.502 -25.032 2.757 1.00 0.00 O ATOM 0 H ASP A 64 -22.317 -24.716 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 64 -24.781 -23.634 0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.023 -25.174 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.950 -25.987 0.933 1.00 0.00 H new ATOM 906 N ALA A 65 -21.848 -22.462 1.477 1.00 0.00 N ATOM 907 CA ALA A 65 -21.225 -21.344 2.232 1.00 0.00 C ATOM 908 C ALA A 65 -21.876 -20.037 1.793 1.00 0.00 C ATOM 909 O ALA A 65 -22.108 -19.145 2.583 1.00 0.00 O ATOM 910 CB ALA A 65 -19.746 -21.359 1.857 1.00 0.00 C ATOM 0 H ALA A 65 -21.217 -22.989 0.874 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.352 -21.442 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.229 -20.556 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.309 -22.317 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -19.642 -21.215 0.782 1.00 0.00 H new ATOM 916 N LEU A 66 -22.195 -19.934 0.531 1.00 0.00 N ATOM 917 CA LEU A 66 -22.862 -18.704 0.030 1.00 0.00 C ATOM 918 C LEU A 66 -24.277 -18.651 0.600 1.00 0.00 C ATOM 919 O LEU A 66 -24.823 -17.594 0.840 1.00 0.00 O ATOM 920 CB LEU A 66 -22.891 -18.850 -1.493 1.00 0.00 C ATOM 921 CG LEU A 66 -22.467 -17.532 -2.141 1.00 0.00 C ATOM 922 CD1 LEU A 66 -22.171 -17.765 -3.624 1.00 0.00 C ATOM 923 CD2 LEU A 66 -23.598 -16.510 -2.002 1.00 0.00 C ATOM 0 H LEU A 66 -22.021 -20.651 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 66 -22.349 -17.788 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -22.222 -19.652 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -23.893 -19.124 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 66 -21.572 -17.155 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -21.869 -16.826 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -21.367 -18.494 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -23.066 -18.142 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -23.297 -15.569 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -24.493 -16.888 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -23.811 -16.344 -0.946 1.00 0.00 H new ATOM 935 N LEU A 67 -24.867 -19.796 0.833 1.00 0.00 N ATOM 936 CA LEU A 67 -26.243 -19.827 1.408 1.00 0.00 C ATOM 937 C LEU A 67 -26.182 -19.504 2.904 1.00 0.00 C ATOM 938 O LEU A 67 -26.985 -18.751 3.425 1.00 0.00 O ATOM 939 CB LEU A 67 -26.731 -21.261 1.185 1.00 0.00 C ATOM 940 CG LEU A 67 -28.171 -21.400 1.693 1.00 0.00 C ATOM 941 CD1 LEU A 67 -29.028 -22.078 0.622 1.00 0.00 C ATOM 942 CD2 LEU A 67 -28.185 -22.248 2.967 1.00 0.00 C ATOM 0 H LEU A 67 -24.454 -20.710 0.649 1.00 0.00 H new ATOM 0 HA LEU A 67 -26.909 -19.098 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -26.683 -21.511 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.081 -21.962 1.708 1.00 0.00 H new ATOM 0 HG LEU A 67 -28.575 -20.411 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -30.052 -22.177 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -29.020 -21.475 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -28.623 -23.066 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -29.209 -22.346 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -27.780 -23.237 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -27.576 -21.766 3.732 1.00 0.00 H new ATOM 954 N LYS A 68 -25.227 -20.068 3.596 1.00 0.00 N ATOM 955 CA LYS A 68 -25.095 -19.801 5.058 1.00 0.00 C ATOM 956 C LYS A 68 -24.513 -18.404 5.285 1.00 0.00 C ATOM 957 O LYS A 68 -25.066 -17.605 6.014 1.00 0.00 O ATOM 958 CB LYS A 68 -24.130 -20.872 5.573 1.00 0.00 C ATOM 959 CG LYS A 68 -24.706 -22.264 5.295 1.00 0.00 C ATOM 960 CD LYS A 68 -25.339 -22.823 6.571 1.00 0.00 C ATOM 961 CE LYS A 68 -25.850 -24.241 6.309 1.00 0.00 C ATOM 962 NZ LYS A 68 -27.210 -24.058 5.729 1.00 0.00 N ATOM 0 H LYS A 68 -24.530 -20.705 3.209 1.00 0.00 H new ATOM 0 HA LYS A 68 -26.055 -19.837 5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.160 -20.766 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.966 -20.743 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -25.451 -22.208 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -23.918 -22.931 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -24.607 -22.832 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -26.160 -22.183 6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -25.196 -24.776 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -25.888 -24.823 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -27.927 -24.276 6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -27.324 -23.073 5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -27.330 -24.697 4.917 1.00 0.00 H new ATOM 976 N MET A 69 -23.399 -18.105 4.667 1.00 0.00 N ATOM 977 CA MET A 69 -22.778 -16.756 4.848 1.00 0.00 C ATOM 978 C MET A 69 -23.807 -15.648 4.591 1.00 0.00 C ATOM 979 O MET A 69 -23.813 -14.630 5.257 1.00 0.00 O ATOM 980 CB MET A 69 -21.656 -16.695 3.810 1.00 0.00 C ATOM 981 CG MET A 69 -20.846 -15.412 4.009 1.00 0.00 C ATOM 982 SD MET A 69 -20.077 -14.935 2.441 1.00 0.00 S ATOM 983 CE MET A 69 -18.473 -14.442 3.117 1.00 0.00 C ATOM 0 H MET A 69 -22.892 -18.735 4.045 1.00 0.00 H new ATOM 0 HA MET A 69 -22.408 -16.610 5.863 1.00 0.00 H new ATOM 0 HB2 MET A 69 -21.008 -17.566 3.908 1.00 0.00 H new ATOM 0 HB3 MET A 69 -22.075 -16.721 2.804 1.00 0.00 H new ATOM 0 HG2 MET A 69 -21.494 -14.612 4.367 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.081 -15.567 4.770 1.00 0.00 H new ATOM 0 HE1 MET A 69 -17.825 -14.105 2.308 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.613 -13.631 3.831 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.013 -15.293 3.620 1.00 0.00 H new ATOM 993 N THR A 70 -24.674 -15.836 3.630 1.00 0.00 N ATOM 994 CA THR A 70 -25.698 -14.788 3.333 1.00 0.00 C ATOM 995 C THR A 70 -26.703 -14.684 4.481 1.00 0.00 C ATOM 996 O THR A 70 -27.041 -13.603 4.922 1.00 0.00 O ATOM 997 CB THR A 70 -26.397 -15.255 2.055 1.00 0.00 C ATOM 998 OG1 THR A 70 -26.649 -16.651 2.138 1.00 0.00 O ATOM 999 CG2 THR A 70 -25.505 -14.963 0.848 1.00 0.00 C ATOM 0 H THR A 70 -24.718 -16.666 3.039 1.00 0.00 H new ATOM 0 HA THR A 70 -25.247 -13.803 3.213 1.00 0.00 H new ATOM 0 HB THR A 70 -27.341 -14.723 1.941 1.00 0.00 H new ATOM 0 HG1 THR A 70 -25.969 -17.137 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 70 -26.004 -15.296 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 70 -25.315 -13.891 0.786 1.00 0.00 H new ATOM 0 HG23 THR A 70 -24.559 -15.493 0.958 1.00 0.00 H new ATOM 1007 N ILE A 71 -27.185 -15.795 4.969 1.00 0.00 N ATOM 1008 CA ILE A 71 -28.169 -15.748 6.085 1.00 0.00 C ATOM 1009 C ILE A 71 -27.444 -15.600 7.429 1.00 0.00 C ATOM 1010 O ILE A 71 -28.053 -15.325 8.443 1.00 0.00 O ATOM 1011 CB ILE A 71 -28.933 -17.074 5.997 1.00 0.00 C ATOM 1012 CG1 ILE A 71 -30.327 -16.885 6.596 1.00 0.00 C ATOM 1013 CG2 ILE A 71 -28.192 -18.176 6.761 1.00 0.00 C ATOM 1014 CD1 ILE A 71 -31.144 -15.951 5.698 1.00 0.00 C ATOM 0 H ILE A 71 -26.940 -16.730 4.643 1.00 0.00 H new ATOM 0 HA ILE A 71 -28.845 -14.896 6.012 1.00 0.00 H new ATOM 0 HB ILE A 71 -29.011 -17.371 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -30.828 -17.848 6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -30.250 -16.467 7.600 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -28.750 -19.109 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -27.199 -18.312 6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -28.098 -17.892 7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -32.138 -15.815 6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -30.644 -14.985 5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -31.232 -16.388 4.703 1.00 0.00 H new ATOM 1026 N SER A 72 -26.149 -15.780 7.444 1.00 0.00 N ATOM 1027 CA SER A 72 -25.394 -15.646 8.722 1.00 0.00 C ATOM 1028 C SER A 72 -25.237 -14.168 9.082 1.00 0.00 C ATOM 1029 O SER A 72 -25.448 -13.768 10.211 1.00 0.00 O ATOM 1030 CB SER A 72 -24.031 -16.280 8.446 1.00 0.00 C ATOM 1031 OG SER A 72 -24.054 -17.640 8.861 1.00 0.00 O ATOM 0 H SER A 72 -25.584 -16.013 6.628 1.00 0.00 H new ATOM 0 HA SER A 72 -25.902 -16.127 9.558 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.795 -16.216 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.250 -15.738 8.979 1.00 0.00 H new ATOM 0 HG SER A 72 -24.372 -18.202 8.124 1.00 0.00 H new ATOM 1037 N GLN A 73 -24.869 -13.353 8.130 1.00 0.00 N ATOM 1038 CA GLN A 73 -24.699 -11.898 8.413 1.00 0.00 C ATOM 1039 C GLN A 73 -26.056 -11.189 8.370 1.00 0.00 C ATOM 1040 O GLN A 73 -26.245 -10.157 8.984 1.00 0.00 O ATOM 1041 CB GLN A 73 -23.786 -11.382 7.301 1.00 0.00 C ATOM 1042 CG GLN A 73 -22.322 -11.527 7.729 1.00 0.00 C ATOM 1043 CD GLN A 73 -21.764 -10.157 8.126 1.00 0.00 C ATOM 1044 OE1 GLN A 73 -20.926 -9.609 7.439 1.00 0.00 O ATOM 1045 NE2 GLN A 73 -22.197 -9.580 9.213 1.00 0.00 N ATOM 0 H GLN A 73 -24.679 -13.632 7.168 1.00 0.00 H new ATOM 0 HA GLN A 73 -24.278 -11.715 9.402 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -23.964 -11.941 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -24.011 -10.337 7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -22.245 -12.219 8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -21.734 -11.948 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -22.901 -10.041 9.789 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -21.832 -8.668 9.486 1.00 0.00 H new ATOM 1054 N GLN A 74 -27.000 -11.732 7.647 1.00 0.00 N ATOM 1055 CA GLN A 74 -28.343 -11.087 7.566 1.00 0.00 C ATOM 1056 C GLN A 74 -29.189 -11.472 8.782 1.00 0.00 C ATOM 1057 O GLN A 74 -29.917 -10.662 9.323 1.00 0.00 O ATOM 1058 CB GLN A 74 -28.971 -11.632 6.282 1.00 0.00 C ATOM 1059 CG GLN A 74 -30.048 -10.662 5.788 1.00 0.00 C ATOM 1060 CD GLN A 74 -29.981 -10.551 4.264 1.00 0.00 C ATOM 1061 OE1 GLN A 74 -30.500 -11.393 3.558 1.00 0.00 O ATOM 1062 NE2 GLN A 74 -29.358 -9.540 3.722 1.00 0.00 N ATOM 0 H GLN A 74 -26.899 -12.593 7.110 1.00 0.00 H new ATOM 0 HA GLN A 74 -28.277 -9.999 7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -28.205 -11.762 5.517 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -29.408 -12.614 6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -31.034 -11.012 6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -29.903 -9.681 6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -28.922 -8.833 4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -29.307 -9.457 2.707 1.00 0.00 H new ATOM 1203 N LEU A 84 -32.348 -2.093 24.811 1.00 0.00 N ATOM 1204 CA LEU A 84 -32.174 -0.646 24.493 1.00 0.00 C ATOM 1205 C LEU A 84 -32.213 0.183 25.780 1.00 0.00 C ATOM 1206 O LEU A 84 -31.610 1.235 25.872 1.00 0.00 O ATOM 1207 CB LEU A 84 -33.359 -0.292 23.590 1.00 0.00 C ATOM 1208 CG LEU A 84 -32.980 -0.499 22.120 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -31.814 0.422 21.753 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -32.567 -1.957 21.894 1.00 0.00 C ATOM 0 HA LEU A 84 -31.219 -0.440 24.009 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -34.218 -0.914 23.843 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -33.655 0.744 23.755 1.00 0.00 H new ATOM 0 HG LEU A 84 -33.840 -0.264 21.493 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -31.547 0.272 20.707 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -32.108 1.460 21.907 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -30.955 0.191 22.383 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -32.298 -2.101 20.848 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -31.710 -2.194 22.525 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -33.398 -2.614 22.149 1.00 0.00 H new ATOM 1222 N SER A 85 -32.918 -0.286 26.775 1.00 0.00 N ATOM 1223 CA SER A 85 -32.999 0.472 28.060 1.00 0.00 C ATOM 1224 C SER A 85 -31.640 0.473 28.769 1.00 0.00 C ATOM 1225 O SER A 85 -31.416 1.229 29.694 1.00 0.00 O ATOM 1226 CB SER A 85 -34.040 -0.272 28.896 1.00 0.00 C ATOM 1227 OG SER A 85 -34.855 0.673 29.577 1.00 0.00 O ATOM 0 H SER A 85 -33.442 -1.161 26.755 1.00 0.00 H new ATOM 0 HA SER A 85 -33.272 1.516 27.903 1.00 0.00 H new ATOM 0 HB2 SER A 85 -34.654 -0.905 28.255 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.547 -0.928 29.613 1.00 0.00 H new ATOM 0 HG SER A 85 -35.525 0.200 30.113 1.00 0.00 H new ATOM 1233 N SER A 86 -30.731 -0.366 28.344 1.00 0.00 N ATOM 1234 CA SER A 86 -29.390 -0.407 28.996 1.00 0.00 C ATOM 1235 C SER A 86 -28.394 0.451 28.211 1.00 0.00 C ATOM 1236 O SER A 86 -27.207 0.188 28.199 1.00 0.00 O ATOM 1237 CB SER A 86 -28.976 -1.878 28.959 1.00 0.00 C ATOM 1238 OG SER A 86 -29.352 -2.502 30.179 1.00 0.00 O ATOM 0 H SER A 86 -30.860 -1.023 27.575 1.00 0.00 H new ATOM 0 HA SER A 86 -29.413 -0.016 30.013 1.00 0.00 H new ATOM 0 HB2 SER A 86 -29.453 -2.381 28.118 1.00 0.00 H new ATOM 0 HB3 SER A 86 -27.899 -1.961 28.811 1.00 0.00 H new ATOM 0 HG SER A 86 -29.090 -3.446 30.158 1.00 0.00 H new ATOM 1244 N MET A 87 -28.870 1.477 27.557 1.00 0.00 N ATOM 1245 CA MET A 87 -27.955 2.357 26.773 1.00 0.00 C ATOM 1246 C MET A 87 -27.890 3.749 27.409 1.00 0.00 C ATOM 1247 O MET A 87 -28.902 4.346 27.718 1.00 0.00 O ATOM 1248 CB MET A 87 -28.577 2.429 25.378 1.00 0.00 C ATOM 1249 CG MET A 87 -28.117 1.227 24.551 1.00 0.00 C ATOM 1250 SD MET A 87 -28.775 1.363 22.871 1.00 0.00 S ATOM 1251 CE MET A 87 -28.235 -0.260 22.281 1.00 0.00 C ATOM 0 H MET A 87 -29.854 1.744 27.532 1.00 0.00 H new ATOM 0 HA MET A 87 -26.935 1.975 26.743 1.00 0.00 H new ATOM 0 HB2 MET A 87 -29.664 2.437 25.453 1.00 0.00 H new ATOM 0 HB3 MET A 87 -28.284 3.356 24.885 1.00 0.00 H new ATOM 0 HG2 MET A 87 -27.028 1.186 24.524 1.00 0.00 H new ATOM 0 HG3 MET A 87 -28.460 0.301 25.013 1.00 0.00 H new ATOM 0 HE1 MET A 87 -28.542 -0.391 21.243 1.00 0.00 H new ATOM 0 HE2 MET A 87 -27.149 -0.329 22.349 1.00 0.00 H new ATOM 0 HE3 MET A 87 -28.688 -1.039 22.894 1.00 0.00 H new ATOM 1261 N THR A 88 -26.708 4.267 27.607 1.00 0.00 N ATOM 1262 CA THR A 88 -26.578 5.620 28.227 1.00 0.00 C ATOM 1263 C THR A 88 -27.170 6.688 27.306 1.00 0.00 C ATOM 1264 O THR A 88 -27.779 6.388 26.297 1.00 0.00 O ATOM 1265 CB THR A 88 -25.075 5.849 28.401 1.00 0.00 C ATOM 1266 OG1 THR A 88 -24.455 5.895 27.125 1.00 0.00 O ATOM 1267 CG2 THR A 88 -24.468 4.711 29.225 1.00 0.00 C ATOM 0 H THR A 88 -25.827 3.813 27.367 1.00 0.00 H new ATOM 0 HA THR A 88 -27.111 5.681 29.176 1.00 0.00 H new ATOM 0 HB THR A 88 -24.912 6.793 28.921 1.00 0.00 H new ATOM 0 HG1 THR A 88 -23.492 6.043 27.234 1.00 0.00 H new ATOM 0 HG21 THR A 88 -23.398 4.880 29.345 1.00 0.00 H new ATOM 0 HG22 THR A 88 -24.943 4.678 30.206 1.00 0.00 H new ATOM 0 HG23 THR A 88 -24.630 3.763 28.712 1.00 0.00 H new ATOM 1275 N GLU A 89 -26.990 7.936 27.650 1.00 0.00 N ATOM 1276 CA GLU A 89 -27.537 9.034 26.802 1.00 0.00 C ATOM 1277 C GLU A 89 -26.867 9.022 25.428 1.00 0.00 C ATOM 1278 O GLU A 89 -27.478 9.349 24.430 1.00 0.00 O ATOM 1279 CB GLU A 89 -27.197 10.324 27.551 1.00 0.00 C ATOM 1280 CG GLU A 89 -28.452 10.857 28.241 1.00 0.00 C ATOM 1281 CD GLU A 89 -28.085 12.058 29.115 1.00 0.00 C ATOM 1282 OE1 GLU A 89 -27.706 11.843 30.254 1.00 0.00 O ATOM 1283 OE2 GLU A 89 -28.189 13.172 28.629 1.00 0.00 O ATOM 0 H GLU A 89 -26.487 8.242 28.483 1.00 0.00 H new ATOM 0 HA GLU A 89 -28.609 8.931 26.636 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -26.416 10.135 28.288 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -26.806 11.068 26.857 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -29.193 11.149 27.496 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -28.904 10.075 28.851 1.00 0.00 H new ATOM 1290 N GLU A 90 -25.617 8.648 25.370 1.00 0.00 N ATOM 1291 CA GLU A 90 -24.909 8.619 24.057 1.00 0.00 C ATOM 1292 C GLU A 90 -25.185 7.297 23.336 1.00 0.00 C ATOM 1293 O GLU A 90 -25.233 7.244 22.123 1.00 0.00 O ATOM 1294 CB GLU A 90 -23.424 8.750 24.392 1.00 0.00 C ATOM 1295 CG GLU A 90 -23.179 10.064 25.137 1.00 0.00 C ATOM 1296 CD GLU A 90 -22.953 11.190 24.128 1.00 0.00 C ATOM 1297 OE1 GLU A 90 -23.622 11.188 23.108 1.00 0.00 O ATOM 1298 OE2 GLU A 90 -22.114 12.035 24.391 1.00 0.00 O ATOM 0 H GLU A 90 -25.056 8.362 26.173 1.00 0.00 H new ATOM 0 HA GLU A 90 -25.243 9.418 23.395 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -23.104 7.908 25.005 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -22.831 8.723 23.478 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -24.033 10.298 25.773 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -22.312 9.967 25.790 1.00 0.00 H new ATOM 1305 N GLU A 91 -25.372 6.229 24.070 1.00 0.00 N ATOM 1306 CA GLU A 91 -25.652 4.917 23.411 1.00 0.00 C ATOM 1307 C GLU A 91 -26.915 5.032 22.554 1.00 0.00 C ATOM 1308 O GLU A 91 -26.875 4.882 21.348 1.00 0.00 O ATOM 1309 CB GLU A 91 -25.864 3.926 24.555 1.00 0.00 C ATOM 1310 CG GLU A 91 -24.506 3.448 25.076 1.00 0.00 C ATOM 1311 CD GLU A 91 -24.603 1.976 25.479 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -24.628 1.139 24.591 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -24.650 1.709 26.669 1.00 0.00 O ATOM 0 H GLU A 91 -25.343 6.208 25.089 1.00 0.00 H new ATOM 0 HA GLU A 91 -24.842 4.599 22.754 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -26.428 4.398 25.359 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -26.452 3.076 24.209 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -23.744 3.576 24.307 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -24.200 4.051 25.931 1.00 0.00 H new ATOM 1320 N GLN A 92 -28.034 5.320 23.167 1.00 0.00 N ATOM 1321 CA GLN A 92 -29.296 5.466 22.383 1.00 0.00 C ATOM 1322 C GLN A 92 -29.121 6.582 21.350 1.00 0.00 C ATOM 1323 O GLN A 92 -29.710 6.560 20.287 1.00 0.00 O ATOM 1324 CB GLN A 92 -30.365 5.845 23.409 1.00 0.00 C ATOM 1325 CG GLN A 92 -30.544 4.701 24.409 1.00 0.00 C ATOM 1326 CD GLN A 92 -31.996 4.666 24.890 1.00 0.00 C ATOM 1327 OE1 GLN A 92 -32.872 4.212 24.183 1.00 0.00 O ATOM 1328 NE2 GLN A 92 -32.290 5.131 26.074 1.00 0.00 N ATOM 0 H GLN A 92 -28.128 5.460 24.173 1.00 0.00 H new ATOM 0 HA GLN A 92 -29.565 4.557 21.844 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -30.075 6.756 23.932 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -31.309 6.053 22.906 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -30.281 3.752 23.942 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -29.872 4.836 25.257 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -31.555 5.513 26.669 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -33.255 5.113 26.404 1.00 0.00 H new ATOM 1337 N ILE A 93 -28.299 7.551 21.659 1.00 0.00 N ATOM 1338 CA ILE A 93 -28.059 8.668 20.701 1.00 0.00 C ATOM 1339 C ILE A 93 -27.244 8.146 19.516 1.00 0.00 C ATOM 1340 O ILE A 93 -27.426 8.569 18.391 1.00 0.00 O ATOM 1341 CB ILE A 93 -27.280 9.713 21.516 1.00 0.00 C ATOM 1342 CG1 ILE A 93 -28.254 10.778 22.026 1.00 0.00 C ATOM 1343 CG2 ILE A 93 -26.202 10.386 20.655 1.00 0.00 C ATOM 1344 CD1 ILE A 93 -27.525 11.726 22.979 1.00 0.00 C ATOM 0 H ILE A 93 -27.783 7.616 22.536 1.00 0.00 H new ATOM 0 HA ILE A 93 -28.972 9.095 20.287 1.00 0.00 H new ATOM 0 HB ILE A 93 -26.793 9.211 22.353 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -28.669 11.337 21.187 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -29.091 10.304 22.538 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -25.665 11.121 21.254 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -25.503 9.632 20.292 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -26.672 10.883 19.806 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -28.220 12.484 23.341 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -27.132 11.161 23.824 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -26.703 12.210 22.452 1.00 0.00 H new ATOM 1356 N ALA A 94 -26.355 7.223 19.760 1.00 0.00 N ATOM 1357 CA ALA A 94 -25.537 6.663 18.646 1.00 0.00 C ATOM 1358 C ALA A 94 -26.457 5.971 17.640 1.00 0.00 C ATOM 1359 O ALA A 94 -26.224 5.999 16.448 1.00 0.00 O ATOM 1360 CB ALA A 94 -24.601 5.650 19.306 1.00 0.00 C ATOM 0 H ALA A 94 -26.159 6.832 20.682 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.980 7.429 18.107 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -23.965 5.194 18.547 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -23.979 6.156 20.044 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -25.191 4.876 19.798 1.00 0.00 H new ATOM 1366 N TYR A 95 -27.510 5.361 18.117 1.00 0.00 N ATOM 1367 CA TYR A 95 -28.460 4.672 17.198 1.00 0.00 C ATOM 1368 C TYR A 95 -29.360 5.702 16.508 1.00 0.00 C ATOM 1369 O TYR A 95 -29.600 5.634 15.318 1.00 0.00 O ATOM 1370 CB TYR A 95 -29.289 3.759 18.102 1.00 0.00 C ATOM 1371 CG TYR A 95 -29.598 2.471 17.379 1.00 0.00 C ATOM 1372 CD1 TYR A 95 -30.193 2.503 16.111 1.00 0.00 C ATOM 1373 CD2 TYR A 95 -29.291 1.244 17.977 1.00 0.00 C ATOM 1374 CE1 TYR A 95 -30.482 1.307 15.443 1.00 0.00 C ATOM 1375 CE2 TYR A 95 -29.578 0.048 17.309 1.00 0.00 C ATOM 1376 CZ TYR A 95 -30.174 0.080 16.041 1.00 0.00 C ATOM 1377 OH TYR A 95 -30.458 -1.100 15.383 1.00 0.00 O ATOM 0 H TYR A 95 -27.753 5.311 19.106 1.00 0.00 H new ATOM 0 HA TYR A 95 -27.949 4.115 16.413 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -28.743 3.549 19.022 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -30.215 4.258 18.388 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -30.429 3.450 15.649 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -28.832 1.220 18.954 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -30.943 1.331 14.466 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -29.340 -0.899 17.770 1.00 0.00 H new ATOM 0 HH TYR A 95 -30.180 -1.859 15.937 1.00 0.00 H new ATOM 1387 N ALA A 96 -29.858 6.655 17.252 1.00 0.00 N ATOM 1388 CA ALA A 96 -30.745 7.693 16.646 1.00 0.00 C ATOM 1389 C ALA A 96 -29.944 8.583 15.691 1.00 0.00 C ATOM 1390 O ALA A 96 -30.430 8.989 14.653 1.00 0.00 O ATOM 1391 CB ALA A 96 -31.267 8.510 17.830 1.00 0.00 C ATOM 0 H ALA A 96 -29.689 6.760 18.252 1.00 0.00 H new ATOM 0 HA ALA A 96 -31.556 7.254 16.065 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -31.929 9.296 17.466 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -31.817 7.858 18.508 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -30.427 8.959 18.360 1.00 0.00 H new ATOM 1397 N MET A 97 -28.717 8.882 16.030 1.00 0.00 N ATOM 1398 CA MET A 97 -27.886 9.737 15.139 1.00 0.00 C ATOM 1399 C MET A 97 -27.380 8.907 13.960 1.00 0.00 C ATOM 1400 O MET A 97 -27.073 9.429 12.906 1.00 0.00 O ATOM 1401 CB MET A 97 -26.720 10.209 16.008 1.00 0.00 C ATOM 1402 CG MET A 97 -27.205 11.302 16.963 1.00 0.00 C ATOM 1403 SD MET A 97 -25.855 12.465 17.285 1.00 0.00 S ATOM 1404 CE MET A 97 -26.414 13.776 16.170 1.00 0.00 C ATOM 0 H MET A 97 -28.257 8.570 16.885 1.00 0.00 H new ATOM 0 HA MET A 97 -28.443 10.579 14.728 1.00 0.00 H new ATOM 0 HB2 MET A 97 -26.312 9.372 16.574 1.00 0.00 H new ATOM 0 HB3 MET A 97 -25.916 10.591 15.380 1.00 0.00 H new ATOM 0 HG2 MET A 97 -28.056 11.827 16.529 1.00 0.00 H new ATOM 0 HG3 MET A 97 -27.547 10.858 17.898 1.00 0.00 H new ATOM 0 HE1 MET A 97 -25.714 14.611 16.210 1.00 0.00 H new ATOM 0 HE2 MET A 97 -26.462 13.391 15.151 1.00 0.00 H new ATOM 0 HE3 MET A 97 -27.403 14.117 16.476 1.00 0.00 H new ATOM 1414 N GLN A 98 -27.295 7.614 14.132 1.00 0.00 N ATOM 1415 CA GLN A 98 -26.815 6.748 13.021 1.00 0.00 C ATOM 1416 C GLN A 98 -27.834 6.758 11.878 1.00 0.00 C ATOM 1417 O GLN A 98 -27.486 6.909 10.724 1.00 0.00 O ATOM 1418 CB GLN A 98 -26.690 5.347 13.626 1.00 0.00 C ATOM 1419 CG GLN A 98 -26.315 4.343 12.534 1.00 0.00 C ATOM 1420 CD GLN A 98 -25.350 3.302 13.103 1.00 0.00 C ATOM 1421 OE1 GLN A 98 -25.609 2.717 14.135 1.00 0.00 O ATOM 1422 NE2 GLN A 98 -24.240 3.043 12.468 1.00 0.00 N ATOM 0 H GLN A 98 -27.537 7.123 14.993 1.00 0.00 H new ATOM 0 HA GLN A 98 -25.866 7.090 12.607 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -25.933 5.346 14.410 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -27.632 5.057 14.092 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -27.211 3.853 12.153 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -25.853 4.861 11.693 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -24.022 3.534 11.601 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -23.590 2.349 12.839 1.00 0.00 H new ATOM 1431 N MET A 99 -29.093 6.602 12.195 1.00 0.00 N ATOM 1432 CA MET A 99 -30.138 6.607 11.130 1.00 0.00 C ATOM 1433 C MET A 99 -30.286 8.015 10.549 1.00 0.00 C ATOM 1434 O MET A 99 -30.576 8.187 9.380 1.00 0.00 O ATOM 1435 CB MET A 99 -31.426 6.176 11.833 1.00 0.00 C ATOM 1436 CG MET A 99 -31.374 4.673 12.117 1.00 0.00 C ATOM 1437 SD MET A 99 -33.047 3.985 12.045 1.00 0.00 S ATOM 1438 CE MET A 99 -33.713 4.854 13.485 1.00 0.00 C ATOM 0 H MET A 99 -29.442 6.472 13.145 1.00 0.00 H new ATOM 0 HA MET A 99 -29.889 5.944 10.301 1.00 0.00 H new ATOM 0 HB2 MET A 99 -31.547 6.729 12.765 1.00 0.00 H new ATOM 0 HB3 MET A 99 -32.289 6.409 11.209 1.00 0.00 H new ATOM 0 HG2 MET A 99 -30.734 4.177 11.388 1.00 0.00 H new ATOM 0 HG3 MET A 99 -30.937 4.493 13.099 1.00 0.00 H new ATOM 0 HE1 MET A 99 -34.649 4.387 13.791 1.00 0.00 H new ATOM 0 HE2 MET A 99 -32.996 4.802 14.305 1.00 0.00 H new ATOM 0 HE3 MET A 99 -33.895 5.897 13.228 1.00 0.00 H new ATOM 1448 N SER A 100 -30.085 9.024 11.355 1.00 0.00 N ATOM 1449 CA SER A 100 -30.209 10.422 10.849 1.00 0.00 C ATOM 1450 C SER A 100 -28.965 10.802 10.040 1.00 0.00 C ATOM 1451 O SER A 100 -29.016 11.639 9.160 1.00 0.00 O ATOM 1452 CB SER A 100 -30.324 11.292 12.101 1.00 0.00 C ATOM 1453 OG SER A 100 -31.481 12.111 11.999 1.00 0.00 O ATOM 0 H SER A 100 -29.840 8.940 12.342 1.00 0.00 H new ATOM 0 HA SER A 100 -31.068 10.548 10.189 1.00 0.00 H new ATOM 0 HB2 SER A 100 -30.386 10.664 12.990 1.00 0.00 H new ATOM 0 HB3 SER A 100 -29.434 11.912 12.210 1.00 0.00 H new ATOM 0 HG SER A 100 -31.559 12.669 12.801 1.00 0.00 H new ATOM 1459 N LEU A 101 -27.848 10.188 10.331 1.00 0.00 N ATOM 1460 CA LEU A 101 -26.599 10.508 9.580 1.00 0.00 C ATOM 1461 C LEU A 101 -26.656 9.903 8.174 1.00 0.00 C ATOM 1462 O LEU A 101 -25.894 9.017 7.838 1.00 0.00 O ATOM 1463 CB LEU A 101 -25.471 9.870 10.394 1.00 0.00 C ATOM 1464 CG LEU A 101 -25.031 10.832 11.499 1.00 0.00 C ATOM 1465 CD1 LEU A 101 -24.015 10.135 12.406 1.00 0.00 C ATOM 1466 CD2 LEU A 101 -24.386 12.069 10.870 1.00 0.00 C ATOM 0 H LEU A 101 -27.747 9.478 11.057 1.00 0.00 H new ATOM 0 HA LEU A 101 -26.455 11.582 9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -25.809 8.930 10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -24.628 9.635 9.745 1.00 0.00 H new ATOM 0 HG LEU A 101 -25.899 11.132 12.087 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -23.701 10.820 13.194 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -24.472 9.252 12.853 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.147 9.836 11.818 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -24.072 12.755 11.656 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -23.518 11.768 10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -25.108 12.566 10.222 1.00 0.00 H new