USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 517 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 38 LYS NZ :NH3+ -158:sc= 1.97 (180deg=1.12) USER MOD Set 1.2: A 42 HIS : no HE2:sc= 1.1 K(o=3.1,f=-5!) USER MOD Single : A 17 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.26) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= -0.0365 (180deg=-0.0449) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 72:sc= 1.04 USER MOD Single : A 45 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 54 GLN : amide:sc=-0.00127 X(o=-0.0013,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.33) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 63 THR OG1 : rot 140:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -179:sc= -0.362 (180deg=-0.363) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.193) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.438 7.476 -15.060 1.00 0.00 N ATOM 205 CA GLU A 14 5.045 7.299 -14.665 1.00 0.00 C ATOM 206 C GLU A 14 4.615 8.354 -13.643 1.00 0.00 C ATOM 207 O GLU A 14 3.550 8.956 -13.769 1.00 0.00 O ATOM 208 CB GLU A 14 4.849 5.886 -14.106 1.00 0.00 C ATOM 209 CG GLU A 14 5.109 4.817 -15.174 1.00 0.00 C ATOM 210 CD GLU A 14 4.916 3.419 -14.598 1.00 0.00 C ATOM 211 OE1 GLU A 14 3.745 3.074 -14.331 1.00 0.00 O ATOM 212 OE2 GLU A 14 5.944 2.733 -14.420 1.00 0.00 O ATOM 0 HA GLU A 14 4.414 7.428 -15.545 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.522 5.731 -13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.833 5.782 -13.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.432 4.965 -16.016 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.124 4.920 -15.559 1.00 0.00 H new ATOM 219 N ALA A 15 5.460 8.582 -12.635 1.00 0.00 N ATOM 220 CA ALA A 15 5.202 9.564 -11.584 1.00 0.00 C ATOM 221 C ALA A 15 5.154 10.974 -12.162 1.00 0.00 C ATOM 222 O ALA A 15 4.416 11.836 -11.686 1.00 0.00 O ATOM 223 CB ALA A 15 6.329 9.530 -10.550 1.00 0.00 C ATOM 0 H ALA A 15 6.346 8.088 -12.526 1.00 0.00 H new ATOM 0 HA ALA A 15 4.245 9.314 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.129 10.265 -9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.386 8.536 -10.106 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.276 9.765 -11.036 1.00 0.00 H new ATOM 229 N VAL A 16 5.971 11.188 -13.192 1.00 0.00 N ATOM 230 CA VAL A 16 6.087 12.462 -13.870 1.00 0.00 C ATOM 231 C VAL A 16 4.939 12.593 -14.853 1.00 0.00 C ATOM 232 O VAL A 16 4.514 13.708 -15.098 1.00 0.00 O ATOM 233 CB VAL A 16 7.490 12.644 -14.477 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.529 13.337 -15.836 1.00 0.00 C ATOM 235 CG2 VAL A 16 8.427 13.307 -13.482 1.00 0.00 C ATOM 0 H VAL A 16 6.577 10.465 -13.579 1.00 0.00 H new ATOM 0 HA VAL A 16 5.996 13.290 -13.167 1.00 0.00 H new ATOM 0 HB VAL A 16 7.842 11.633 -14.685 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.562 13.416 -16.175 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.954 12.756 -16.557 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.099 14.335 -15.748 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.412 13.425 -13.933 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.033 14.286 -13.208 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.509 12.686 -12.590 1.00 0.00 H new ATOM 245 N GLN A 17 4.408 11.491 -15.393 1.00 0.00 N ATOM 246 CA GLN A 17 3.272 11.557 -16.297 1.00 0.00 C ATOM 247 C GLN A 17 2.079 12.024 -15.482 1.00 0.00 C ATOM 248 O GLN A 17 1.319 12.876 -15.932 1.00 0.00 O ATOM 249 CB GLN A 17 2.971 10.204 -16.966 1.00 0.00 C ATOM 250 CG GLN A 17 1.840 10.283 -18.004 1.00 0.00 C ATOM 251 CD GLN A 17 2.219 11.149 -19.198 1.00 0.00 C ATOM 252 OE1 GLN A 17 1.870 12.325 -19.244 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.932 10.581 -20.166 1.00 0.00 N ATOM 0 H GLN A 17 4.751 10.547 -15.215 1.00 0.00 H new ATOM 0 HA GLN A 17 3.496 12.249 -17.109 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.875 9.836 -17.450 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.702 9.478 -16.199 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.594 9.279 -18.349 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.944 10.687 -17.533 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.203 9.601 -20.092 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.208 11.126 -20.983 1.00 0.00 H new ATOM 262 N LYS A 18 1.928 11.460 -14.276 1.00 0.00 N ATOM 263 CA LYS A 18 0.825 11.818 -13.397 1.00 0.00 C ATOM 264 C LYS A 18 0.888 13.309 -13.071 1.00 0.00 C ATOM 265 O LYS A 18 -0.074 14.036 -13.309 1.00 0.00 O ATOM 266 CB LYS A 18 0.825 10.942 -12.134 1.00 0.00 C ATOM 267 CG LYS A 18 0.645 9.436 -12.403 1.00 0.00 C ATOM 268 CD LYS A 18 -0.808 8.931 -12.336 1.00 0.00 C ATOM 269 CE LYS A 18 -1.757 9.461 -13.421 1.00 0.00 C ATOM 270 NZ LYS A 18 -1.232 9.248 -14.784 1.00 0.00 N ATOM 0 H LYS A 18 2.559 10.756 -13.894 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.120 11.629 -13.907 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.764 11.094 -11.602 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.026 11.279 -11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.048 9.208 -13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.241 8.879 -11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.796 7.843 -12.392 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.219 9.195 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.724 8.967 -13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.926 10.526 -13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.924 9.592 -15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.339 9.768 -14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.063 8.233 -14.936 1.00 0.00 H new ATOM 284 N PHE A 19 2.027 13.760 -12.543 1.00 0.00 N ATOM 285 CA PHE A 19 2.235 15.157 -12.194 1.00 0.00 C ATOM 286 C PHE A 19 2.118 16.084 -13.415 1.00 0.00 C ATOM 287 O PHE A 19 1.498 17.143 -13.334 1.00 0.00 O ATOM 288 CB PHE A 19 3.605 15.308 -11.499 1.00 0.00 C ATOM 289 CG PHE A 19 4.143 16.723 -11.563 1.00 0.00 C ATOM 290 CD1 PHE A 19 4.792 17.143 -12.735 1.00 0.00 C ATOM 291 CD2 PHE A 19 3.990 17.621 -10.491 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.262 18.454 -12.846 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.481 18.936 -10.602 1.00 0.00 C ATOM 294 CZ PHE A 19 5.113 19.351 -11.790 1.00 0.00 C ATOM 0 H PHE A 19 2.830 13.162 -12.347 1.00 0.00 H new ATOM 0 HA PHE A 19 1.447 15.463 -11.506 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.513 15.006 -10.456 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.320 14.631 -11.965 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.928 16.451 -13.553 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.497 17.302 -9.585 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.745 18.775 -13.757 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.373 19.625 -9.777 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.481 20.362 -11.882 1.00 0.00 H new ATOM 304 N PHE A 20 2.739 15.704 -14.538 1.00 0.00 N ATOM 305 CA PHE A 20 2.773 16.499 -15.766 1.00 0.00 C ATOM 306 C PHE A 20 1.330 16.772 -16.181 1.00 0.00 C ATOM 307 O PHE A 20 0.970 17.910 -16.470 1.00 0.00 O ATOM 308 CB PHE A 20 3.570 15.752 -16.846 1.00 0.00 C ATOM 309 CG PHE A 20 3.628 16.295 -18.255 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.329 17.481 -18.527 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.009 15.592 -19.305 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.416 17.959 -19.846 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.100 16.066 -20.622 1.00 0.00 C ATOM 314 CZ PHE A 20 3.808 17.247 -20.891 1.00 0.00 C ATOM 0 H PHE A 20 3.240 14.819 -14.618 1.00 0.00 H new ATOM 0 HA PHE A 20 3.278 17.453 -15.614 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.596 15.666 -16.490 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.167 14.741 -16.905 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.801 18.026 -17.723 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.462 14.684 -19.096 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.951 18.874 -20.055 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.626 15.523 -21.427 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.885 17.609 -21.906 1.00 0.00 H new ATOM 324 N LEU A 21 0.498 15.722 -16.164 1.00 0.00 N ATOM 325 CA LEU A 21 -0.919 15.825 -16.469 1.00 0.00 C ATOM 326 C LEU A 21 -1.633 16.666 -15.423 1.00 0.00 C ATOM 327 O LEU A 21 -2.485 17.473 -15.787 1.00 0.00 O ATOM 328 CB LEU A 21 -1.564 14.431 -16.556 1.00 0.00 C ATOM 329 CG LEU A 21 -1.880 13.924 -17.973 1.00 0.00 C ATOM 330 CD1 LEU A 21 -2.175 12.421 -17.860 1.00 0.00 C ATOM 331 CD2 LEU A 21 -3.055 14.740 -18.530 1.00 0.00 C ATOM 0 H LEU A 21 0.800 14.775 -15.936 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.018 16.313 -17.438 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.899 13.714 -16.074 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.490 14.444 -15.981 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.052 14.053 -18.669 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.405 12.020 -18.847 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.303 11.908 -17.454 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.027 12.266 -17.198 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.294 14.394 -19.536 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.925 14.611 -17.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.782 15.795 -18.564 1.00 0.00 H new ATOM 343 N GLU A 22 -1.295 16.502 -14.140 1.00 0.00 N ATOM 344 CA GLU A 22 -1.913 17.307 -13.098 1.00 0.00 C ATOM 345 C GLU A 22 -1.644 18.792 -13.372 1.00 0.00 C ATOM 346 O GLU A 22 -2.495 19.625 -13.074 1.00 0.00 O ATOM 347 CB GLU A 22 -1.439 16.876 -11.701 1.00 0.00 C ATOM 348 CG GLU A 22 -2.161 17.648 -10.588 1.00 0.00 C ATOM 349 CD GLU A 22 -1.851 17.055 -9.218 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.647 16.982 -8.891 1.00 0.00 O ATOM 351 OE2 GLU A 22 -2.820 16.670 -8.529 1.00 0.00 O ATOM 0 H GLU A 22 -0.606 15.827 -13.808 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.991 17.148 -13.115 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.612 15.807 -11.573 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.364 17.037 -11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.858 18.695 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.237 17.624 -10.763 1.00 0.00 H new ATOM 358 N GLU A 23 -0.483 19.122 -13.956 1.00 0.00 N ATOM 359 CA GLU A 23 -0.108 20.491 -14.265 1.00 0.00 C ATOM 360 C GLU A 23 -0.841 20.968 -15.522 1.00 0.00 C ATOM 361 O GLU A 23 -1.444 22.037 -15.513 1.00 0.00 O ATOM 362 CB GLU A 23 1.411 20.673 -14.316 1.00 0.00 C ATOM 363 CG GLU A 23 1.734 22.120 -13.912 1.00 0.00 C ATOM 364 CD GLU A 23 1.924 22.340 -12.413 1.00 0.00 C ATOM 365 OE1 GLU A 23 1.197 21.702 -11.623 1.00 0.00 O ATOM 366 OE2 GLU A 23 2.784 23.188 -12.085 1.00 0.00 O ATOM 0 H GLU A 23 0.221 18.434 -14.225 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.432 21.140 -13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.901 19.971 -13.641 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.785 20.465 -15.318 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.642 22.432 -14.429 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.930 22.768 -14.261 1.00 0.00 H new ATOM 373 N ILE A 24 -0.813 20.151 -16.583 1.00 0.00 N ATOM 374 CA ILE A 24 -1.511 20.394 -17.856 1.00 0.00 C ATOM 375 C ILE A 24 -2.981 20.746 -17.533 1.00 0.00 C ATOM 376 O ILE A 24 -3.517 21.756 -18.010 1.00 0.00 O ATOM 377 CB ILE A 24 -1.347 19.160 -18.824 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.170 19.241 -19.843 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.629 18.708 -19.539 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.443 18.554 -21.192 1.00 0.00 C ATOM 0 H ILE A 24 -0.289 19.276 -16.581 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.075 21.236 -18.394 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.084 18.387 -18.101 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.064 20.290 -20.025 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.715 18.790 -19.393 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.407 17.854 -20.179 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.377 18.422 -18.799 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.015 19.527 -20.147 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.429 18.660 -21.837 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.646 17.496 -21.027 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.306 19.019 -21.669 1.00 0.00 H new ATOM 392 N GLN A 25 -3.626 19.915 -16.699 1.00 0.00 N ATOM 393 CA GLN A 25 -5.026 20.114 -16.328 1.00 0.00 C ATOM 394 C GLN A 25 -5.222 21.283 -15.365 1.00 0.00 C ATOM 395 O GLN A 25 -6.186 22.030 -15.497 1.00 0.00 O ATOM 396 CB GLN A 25 -5.712 18.808 -15.903 1.00 0.00 C ATOM 397 CG GLN A 25 -5.444 18.495 -14.437 1.00 0.00 C ATOM 398 CD GLN A 25 -5.943 17.121 -14.005 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.546 16.388 -14.782 1.00 0.00 O ATOM 400 NE2 GLN A 25 -5.680 16.762 -12.749 1.00 0.00 N ATOM 0 H GLN A 25 -3.193 19.097 -16.270 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.554 20.420 -17.231 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.786 18.888 -16.070 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.353 17.987 -16.524 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.372 18.558 -14.251 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.920 19.256 -13.819 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.176 17.398 -12.132 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.983 15.851 -12.405 1.00 0.00 H new ATOM 409 N LEU A 26 -4.306 21.455 -14.407 1.00 0.00 N ATOM 410 CA LEU A 26 -4.349 22.552 -13.438 1.00 0.00 C ATOM 411 C LEU A 26 -4.316 23.876 -14.200 1.00 0.00 C ATOM 412 O LEU A 26 -5.088 24.780 -13.887 1.00 0.00 O ATOM 413 CB LEU A 26 -3.254 22.358 -12.376 1.00 0.00 C ATOM 414 CG LEU A 26 -2.855 23.500 -11.441 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.215 24.685 -12.158 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.022 23.959 -10.584 1.00 0.00 C ATOM 0 H LEU A 26 -3.508 20.832 -14.282 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.277 22.563 -12.867 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.563 21.523 -11.747 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.352 22.045 -12.901 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.087 23.082 -10.790 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.959 25.455 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.311 24.355 -12.671 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.917 25.092 -12.886 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.698 24.771 -9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.830 24.309 -11.227 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.377 23.127 -9.976 1.00 0.00 H new ATOM 428 N GLY A 27 -3.452 23.987 -15.214 1.00 0.00 N ATOM 429 CA GLY A 27 -3.357 25.175 -16.046 1.00 0.00 C ATOM 430 C GLY A 27 -4.685 25.372 -16.745 1.00 0.00 C ATOM 431 O GLY A 27 -5.330 26.385 -16.490 1.00 0.00 O ATOM 0 H GLY A 27 -2.799 23.248 -15.476 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.115 26.046 -15.438 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.556 25.064 -16.777 1.00 0.00 H new ATOM 435 N GLU A 28 -5.108 24.423 -17.600 1.00 0.00 N ATOM 436 CA GLU A 28 -6.402 24.581 -18.273 1.00 0.00 C ATOM 437 C GLU A 28 -7.510 25.030 -17.306 1.00 0.00 C ATOM 438 O GLU A 28 -8.238 25.973 -17.601 1.00 0.00 O ATOM 439 CB GLU A 28 -6.833 23.324 -19.039 1.00 0.00 C ATOM 440 CG GLU A 28 -8.001 23.696 -19.978 1.00 0.00 C ATOM 441 CD GLU A 28 -8.717 22.496 -20.577 1.00 0.00 C ATOM 442 OE1 GLU A 28 -8.583 21.402 -19.993 1.00 0.00 O ATOM 443 OE2 GLU A 28 -9.406 22.698 -21.601 1.00 0.00 O ATOM 0 H GLU A 28 -4.594 23.573 -17.832 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.253 25.373 -19.007 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.997 22.926 -19.614 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.141 22.544 -18.343 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.722 24.297 -19.424 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.620 24.320 -20.786 1.00 0.00 H new ATOM 450 N GLU A 29 -7.624 24.369 -16.153 1.00 0.00 N ATOM 451 CA GLU A 29 -8.623 24.679 -15.126 1.00 0.00 C ATOM 452 C GLU A 29 -8.480 26.120 -14.623 1.00 0.00 C ATOM 453 O GLU A 29 -9.468 26.842 -14.517 1.00 0.00 O ATOM 454 CB GLU A 29 -8.546 23.660 -13.976 1.00 0.00 C ATOM 455 CG GLU A 29 -9.562 23.875 -12.847 1.00 0.00 C ATOM 456 CD GLU A 29 -10.958 23.385 -13.210 1.00 0.00 C ATOM 457 OE1 GLU A 29 -11.594 23.990 -14.100 1.00 0.00 O ATOM 458 OE2 GLU A 29 -11.390 22.378 -12.601 1.00 0.00 O ATOM 0 H GLU A 29 -7.015 23.590 -15.901 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.613 24.600 -15.576 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.689 22.660 -14.387 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.543 23.690 -13.551 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.220 23.355 -11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.606 24.936 -12.601 1.00 0.00 H new ATOM 465 N LEU A 30 -7.262 26.575 -14.312 1.00 0.00 N ATOM 466 CA LEU A 30 -7.078 27.948 -13.862 1.00 0.00 C ATOM 467 C LEU A 30 -7.504 28.909 -14.964 1.00 0.00 C ATOM 468 O LEU A 30 -8.145 29.921 -14.689 1.00 0.00 O ATOM 469 CB LEU A 30 -5.625 28.207 -13.428 1.00 0.00 C ATOM 470 CG LEU A 30 -5.295 27.857 -11.968 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.816 28.165 -11.714 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.116 28.668 -10.952 1.00 0.00 C ATOM 0 H LEU A 30 -6.407 26.021 -14.364 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.706 28.115 -12.987 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.963 27.635 -14.078 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.399 29.261 -13.590 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.534 26.802 -11.832 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.566 27.922 -10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.199 27.569 -12.387 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.629 29.224 -11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.836 28.374 -9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.917 29.731 -11.089 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.178 28.475 -11.105 1.00 0.00 H new ATOM 484 N LEU A 31 -7.187 28.595 -16.220 1.00 0.00 N ATOM 485 CA LEU A 31 -7.607 29.431 -17.344 1.00 0.00 C ATOM 486 C LEU A 31 -9.116 29.347 -17.501 1.00 0.00 C ATOM 487 O LEU A 31 -9.747 30.318 -17.914 1.00 0.00 O ATOM 488 CB LEU A 31 -6.857 29.011 -18.587 1.00 0.00 C ATOM 489 CG LEU A 31 -5.382 29.428 -18.496 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.742 29.604 -17.111 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.627 28.357 -19.258 1.00 0.00 C ATOM 0 H LEU A 31 -6.644 27.773 -16.484 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.364 30.478 -17.162 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.928 27.931 -18.713 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.315 29.465 -19.466 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.328 30.441 -18.895 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.699 29.899 -17.227 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.278 30.375 -16.558 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.794 28.663 -16.564 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.561 28.582 -19.241 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.801 27.387 -18.792 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.976 28.331 -20.290 1.00 0.00 H new ATOM 503 N ALA A 32 -9.694 28.212 -17.105 1.00 0.00 N ATOM 504 CA ALA A 32 -11.136 28.036 -17.075 1.00 0.00 C ATOM 505 C ALA A 32 -11.749 29.058 -16.102 1.00 0.00 C ATOM 506 O ALA A 32 -12.925 29.392 -16.228 1.00 0.00 O ATOM 507 CB ALA A 32 -11.534 26.584 -16.766 1.00 0.00 C ATOM 0 H ALA A 32 -9.171 27.392 -16.797 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.545 28.230 -18.067 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.621 26.499 -16.754 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.127 25.924 -17.532 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.137 26.297 -15.792 1.00 0.00 H new ATOM 513 N GLN A 33 -10.940 29.588 -15.167 1.00 0.00 N ATOM 514 CA GLN A 33 -11.316 30.634 -14.228 1.00 0.00 C ATOM 515 C GLN A 33 -10.947 31.981 -14.866 1.00 0.00 C ATOM 516 O GLN A 33 -11.675 32.960 -14.722 1.00 0.00 O ATOM 517 CB GLN A 33 -10.615 30.407 -12.876 1.00 0.00 C ATOM 518 CG GLN A 33 -11.638 30.267 -11.743 1.00 0.00 C ATOM 519 CD GLN A 33 -10.961 30.064 -10.390 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.100 30.891 -9.493 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.229 28.961 -10.229 1.00 0.00 N ATOM 0 H GLN A 33 -9.974 29.282 -15.049 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.386 30.622 -14.023 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.999 29.509 -12.928 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.945 31.241 -12.665 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.264 31.159 -11.706 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.297 29.424 -11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.135 28.295 -10.996 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.763 28.783 -9.339 1.00 0.00 H new ATOM 530 N GLY A 34 -9.820 31.999 -15.587 1.00 0.00 N ATOM 531 CA GLY A 34 -9.272 33.124 -16.333 1.00 0.00 C ATOM 532 C GLY A 34 -7.842 33.489 -15.933 1.00 0.00 C ATOM 533 O GLY A 34 -7.385 34.567 -16.307 1.00 0.00 O ATOM 0 H GLY A 34 -9.232 31.170 -15.666 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.293 32.888 -17.397 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.914 33.993 -16.187 1.00 0.00 H new ATOM 537 N ASP A 35 -7.123 32.636 -15.183 1.00 0.00 N ATOM 538 CA ASP A 35 -5.765 32.981 -14.737 1.00 0.00 C ATOM 539 C ASP A 35 -4.659 32.640 -15.748 1.00 0.00 C ATOM 540 O ASP A 35 -3.735 31.887 -15.451 1.00 0.00 O ATOM 541 CB ASP A 35 -5.494 32.412 -13.333 1.00 0.00 C ATOM 542 CG ASP A 35 -4.406 33.190 -12.591 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.557 33.814 -13.268 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.417 33.112 -11.343 1.00 0.00 O ATOM 0 H ASP A 35 -7.453 31.720 -14.878 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.728 34.068 -14.673 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.415 32.434 -12.750 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.196 31.367 -13.418 1.00 0.00 H new ATOM 549 N TYR A 36 -4.754 33.217 -16.950 1.00 0.00 N ATOM 550 CA TYR A 36 -3.824 33.084 -18.072 1.00 0.00 C ATOM 551 C TYR A 36 -2.368 33.178 -17.629 1.00 0.00 C ATOM 552 O TYR A 36 -1.531 32.371 -18.035 1.00 0.00 O ATOM 553 CB TYR A 36 -4.138 34.140 -19.141 1.00 0.00 C ATOM 554 CG TYR A 36 -5.614 34.418 -19.367 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.472 33.392 -19.805 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.131 35.706 -19.130 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.839 33.653 -20.003 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.497 35.967 -19.330 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.351 34.939 -19.766 1.00 0.00 C ATOM 560 OH TYR A 36 -9.677 35.190 -19.958 1.00 0.00 O ATOM 0 H TYR A 36 -5.536 33.830 -17.179 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.960 32.090 -18.499 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.648 35.073 -18.861 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.697 33.819 -20.085 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.080 32.403 -19.989 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.476 36.496 -18.793 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.496 32.864 -20.338 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.890 36.956 -19.149 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.866 36.128 -19.748 1.00 0.00 H new ATOM 570 N GLU A 37 -2.093 34.167 -16.782 1.00 0.00 N ATOM 571 CA GLU A 37 -0.786 34.449 -16.208 1.00 0.00 C ATOM 572 C GLU A 37 -0.238 33.194 -15.546 1.00 0.00 C ATOM 573 O GLU A 37 0.906 32.803 -15.778 1.00 0.00 O ATOM 574 CB GLU A 37 -0.885 35.620 -15.218 1.00 0.00 C ATOM 575 CG GLU A 37 -0.783 36.982 -15.919 1.00 0.00 C ATOM 576 CD GLU A 37 -1.824 37.186 -17.015 1.00 0.00 C ATOM 577 OE1 GLU A 37 -3.007 36.867 -16.760 1.00 0.00 O ATOM 578 OE2 GLU A 37 -1.408 37.652 -18.099 1.00 0.00 O ATOM 0 H GLU A 37 -2.809 34.821 -16.465 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.093 34.744 -16.996 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.831 35.560 -14.680 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.091 35.535 -14.476 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.891 37.772 -15.176 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.212 37.085 -16.352 1.00 0.00 H new ATOM 585 N LYS A 38 -1.084 32.564 -14.737 1.00 0.00 N ATOM 586 CA LYS A 38 -0.730 31.332 -14.057 1.00 0.00 C ATOM 587 C LYS A 38 -0.633 30.183 -15.051 1.00 0.00 C ATOM 588 O LYS A 38 0.196 29.301 -14.860 1.00 0.00 O ATOM 589 CB LYS A 38 -1.703 31.016 -12.912 1.00 0.00 C ATOM 590 CG LYS A 38 -1.182 31.499 -11.549 1.00 0.00 C ATOM 591 CD LYS A 38 -0.172 30.450 -11.070 1.00 0.00 C ATOM 592 CE LYS A 38 0.728 30.855 -9.905 1.00 0.00 C ATOM 593 NZ LYS A 38 1.720 29.788 -9.664 1.00 0.00 N ATOM 0 H LYS A 38 -2.028 32.894 -14.538 1.00 0.00 H new ATOM 0 HA LYS A 38 0.252 31.467 -13.604 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.665 31.485 -13.117 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.875 29.940 -12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.711 32.478 -11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.000 31.603 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.721 29.554 -10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.463 30.177 -11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.234 31.794 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.130 31.021 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.077 29.859 -8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.272 28.860 -9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.511 29.893 -10.331 1.00 0.00 H new ATOM 607 N GLY A 39 -1.442 30.186 -16.117 1.00 0.00 N ATOM 608 CA GLY A 39 -1.351 29.140 -17.125 1.00 0.00 C ATOM 609 C GLY A 39 0.025 29.132 -17.760 1.00 0.00 C ATOM 610 O GLY A 39 0.559 28.066 -18.028 1.00 0.00 O ATOM 0 H GLY A 39 -2.155 30.893 -16.297 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.554 28.170 -16.670 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.110 29.298 -17.891 1.00 0.00 H new ATOM 614 N VAL A 40 0.605 30.312 -17.998 1.00 0.00 N ATOM 615 CA VAL A 40 1.925 30.397 -18.601 1.00 0.00 C ATOM 616 C VAL A 40 2.943 29.704 -17.686 1.00 0.00 C ATOM 617 O VAL A 40 3.702 28.854 -18.140 1.00 0.00 O ATOM 618 CB VAL A 40 2.290 31.864 -18.936 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.745 31.956 -19.404 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.388 32.464 -20.035 1.00 0.00 C ATOM 0 H VAL A 40 0.179 31.213 -17.781 1.00 0.00 H new ATOM 0 HA VAL A 40 1.936 29.872 -19.556 1.00 0.00 H new ATOM 0 HB VAL A 40 2.141 32.434 -18.019 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.988 32.993 -19.636 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.405 31.597 -18.614 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.880 31.344 -20.296 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.688 33.494 -20.230 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.488 31.878 -20.948 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.350 32.445 -19.704 1.00 0.00 H new ATOM 630 N ASP A 41 2.944 30.061 -16.399 1.00 0.00 N ATOM 631 CA ASP A 41 3.839 29.521 -15.376 1.00 0.00 C ATOM 632 C ASP A 41 3.679 28.008 -15.235 1.00 0.00 C ATOM 633 O ASP A 41 4.640 27.245 -15.326 1.00 0.00 O ATOM 634 CB ASP A 41 3.581 30.242 -14.034 1.00 0.00 C ATOM 635 CG ASP A 41 4.089 29.486 -12.807 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.267 29.070 -12.821 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.283 29.356 -11.857 1.00 0.00 O ATOM 0 H ASP A 41 2.298 30.759 -16.029 1.00 0.00 H new ATOM 0 HA ASP A 41 4.870 29.701 -15.681 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.056 31.223 -14.065 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.510 30.410 -13.925 1.00 0.00 H new ATOM 642 N HIS A 42 2.449 27.573 -15.003 1.00 0.00 N ATOM 643 CA HIS A 42 2.135 26.169 -14.810 1.00 0.00 C ATOM 644 C HIS A 42 2.406 25.376 -16.076 1.00 0.00 C ATOM 645 O HIS A 42 2.833 24.227 -15.995 1.00 0.00 O ATOM 646 CB HIS A 42 0.727 25.990 -14.244 1.00 0.00 C ATOM 647 CG HIS A 42 0.703 26.325 -12.776 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.397 25.590 -11.827 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.079 27.321 -12.071 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.169 26.157 -10.633 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.369 27.224 -10.709 1.00 0.00 N ATOM 0 H HIS A 42 1.638 28.189 -14.943 1.00 0.00 H new ATOM 0 HA HIS A 42 2.802 25.754 -14.055 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.028 26.632 -14.781 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.396 24.962 -14.394 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.975 24.769 -12.004 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.552 28.079 -12.510 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.588 25.790 -9.708 1.00 0.00 H new ATOM 659 N LEU A 43 2.217 25.976 -17.256 1.00 0.00 N ATOM 660 CA LEU A 43 2.560 25.227 -18.448 1.00 0.00 C ATOM 661 C LEU A 43 4.085 25.116 -18.452 1.00 0.00 C ATOM 662 O LEU A 43 4.611 24.032 -18.688 1.00 0.00 O ATOM 663 CB LEU A 43 1.991 25.835 -19.735 1.00 0.00 C ATOM 664 CG LEU A 43 1.738 24.718 -20.760 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.342 24.102 -20.560 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.836 25.276 -22.177 1.00 0.00 C ATOM 0 H LEU A 43 1.852 26.917 -17.401 1.00 0.00 H new ATOM 0 HA LEU A 43 2.102 24.238 -18.425 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.062 26.364 -19.521 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.688 26.567 -20.143 1.00 0.00 H new ATOM 0 HG LEU A 43 2.494 23.947 -20.613 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.183 23.314 -21.296 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.270 23.682 -19.557 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.418 24.874 -20.686 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.655 24.477 -22.896 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.091 26.060 -22.311 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.832 25.690 -22.337 1.00 0.00 H new ATOM 678 N THR A 44 4.793 26.218 -18.146 1.00 0.00 N ATOM 679 CA THR A 44 6.254 26.215 -18.088 1.00 0.00 C ATOM 680 C THR A 44 6.755 25.073 -17.188 1.00 0.00 C ATOM 681 O THR A 44 7.764 24.437 -17.490 1.00 0.00 O ATOM 682 CB THR A 44 6.837 27.586 -17.699 1.00 0.00 C ATOM 683 OG1 THR A 44 6.445 28.554 -18.649 1.00 0.00 O ATOM 684 CG2 THR A 44 8.369 27.554 -17.677 1.00 0.00 C ATOM 0 H THR A 44 4.369 27.122 -17.935 1.00 0.00 H new ATOM 0 HA THR A 44 6.626 26.026 -19.095 1.00 0.00 H new ATOM 0 HB THR A 44 6.463 27.832 -16.705 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.489 28.745 -18.546 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.749 28.537 -17.399 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.707 26.815 -16.950 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.742 27.287 -18.666 1.00 0.00 H new ATOM 692 N ASN A 45 6.029 24.798 -16.098 1.00 0.00 N ATOM 693 CA ASN A 45 6.358 23.723 -15.162 1.00 0.00 C ATOM 694 C ASN A 45 6.254 22.378 -15.887 1.00 0.00 C ATOM 695 O ASN A 45 7.161 21.544 -15.802 1.00 0.00 O ATOM 696 CB ASN A 45 5.470 23.748 -13.908 1.00 0.00 C ATOM 697 CG ASN A 45 5.978 24.723 -12.847 1.00 0.00 C ATOM 698 OD1 ASN A 45 6.597 24.313 -11.869 1.00 0.00 O ATOM 699 ND2 ASN A 45 5.729 26.017 -13.032 1.00 0.00 N ATOM 0 H ASN A 45 5.191 25.320 -15.841 1.00 0.00 H new ATOM 0 HA ASN A 45 7.380 23.872 -14.813 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.454 24.023 -14.192 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.421 22.746 -13.482 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.055 26.702 -12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.212 26.324 -13.856 1.00 0.00 H new ATOM 706 N ALA A 46 5.156 22.176 -16.626 1.00 0.00 N ATOM 707 CA ALA A 46 4.945 20.962 -17.398 1.00 0.00 C ATOM 708 C ALA A 46 6.175 20.731 -18.296 1.00 0.00 C ATOM 709 O ALA A 46 6.758 19.646 -18.309 1.00 0.00 O ATOM 710 CB ALA A 46 3.610 21.035 -18.161 1.00 0.00 C ATOM 0 H ALA A 46 4.396 22.852 -16.700 1.00 0.00 H new ATOM 0 HA ALA A 46 4.854 20.092 -16.747 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.468 20.119 -18.734 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.791 21.150 -17.451 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.625 21.888 -18.839 1.00 0.00 H new ATOM 716 N ILE A 47 6.609 21.768 -19.027 1.00 0.00 N ATOM 717 CA ILE A 47 7.793 21.660 -19.879 1.00 0.00 C ATOM 718 C ILE A 47 9.059 21.402 -19.060 1.00 0.00 C ATOM 719 O ILE A 47 9.975 20.736 -19.536 1.00 0.00 O ATOM 720 CB ILE A 47 7.987 22.901 -20.781 1.00 0.00 C ATOM 721 CG1 ILE A 47 6.887 23.061 -21.859 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.383 22.885 -21.429 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.600 23.662 -21.304 1.00 0.00 C ATOM 0 H ILE A 47 6.159 22.683 -19.043 1.00 0.00 H new ATOM 0 HA ILE A 47 7.619 20.801 -20.528 1.00 0.00 H new ATOM 0 HB ILE A 47 7.900 23.769 -20.128 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.262 23.695 -22.663 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.669 22.087 -22.297 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.501 23.766 -22.060 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.146 22.891 -20.650 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.492 21.986 -22.036 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.865 23.751 -22.104 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.206 23.016 -20.519 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.808 24.649 -20.891 1.00 0.00 H new ATOM 735 N ALA A 48 9.125 21.934 -17.843 1.00 0.00 N ATOM 736 CA ALA A 48 10.283 21.802 -16.973 1.00 0.00 C ATOM 737 C ALA A 48 10.492 20.357 -16.563 1.00 0.00 C ATOM 738 O ALA A 48 11.628 19.950 -16.327 1.00 0.00 O ATOM 739 CB ALA A 48 10.200 22.726 -15.756 1.00 0.00 C ATOM 0 H ALA A 48 8.365 22.475 -17.431 1.00 0.00 H new ATOM 0 HA ALA A 48 11.155 22.118 -17.545 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.087 22.592 -15.136 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.144 23.762 -16.089 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.311 22.483 -15.175 1.00 0.00 H new ATOM 745 N VAL A 49 9.405 19.580 -16.510 1.00 0.00 N ATOM 746 CA VAL A 49 9.498 18.179 -16.147 1.00 0.00 C ATOM 747 C VAL A 49 9.476 17.284 -17.384 1.00 0.00 C ATOM 748 O VAL A 49 9.882 16.126 -17.289 1.00 0.00 O ATOM 749 CB VAL A 49 8.383 17.815 -15.163 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.396 18.765 -13.965 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.973 17.809 -15.757 1.00 0.00 C ATOM 0 H VAL A 49 8.460 19.904 -16.714 1.00 0.00 H new ATOM 0 HA VAL A 49 10.454 18.010 -15.652 1.00 0.00 H new ATOM 0 HB VAL A 49 8.605 16.790 -14.866 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.597 18.492 -13.276 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.356 18.693 -13.454 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.244 19.788 -14.310 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.254 17.540 -14.984 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.737 18.800 -16.143 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.923 17.082 -16.568 1.00 0.00 H new ATOM 761 N CYS A 50 9.025 17.795 -18.539 1.00 0.00 N ATOM 762 CA CYS A 50 8.983 16.992 -19.759 1.00 0.00 C ATOM 763 C CYS A 50 10.286 17.109 -20.553 1.00 0.00 C ATOM 764 O CYS A 50 10.829 16.103 -21.004 1.00 0.00 O ATOM 765 CB CYS A 50 7.762 17.378 -20.590 1.00 0.00 C ATOM 766 SG CYS A 50 7.686 16.376 -22.098 1.00 0.00 S ATOM 0 H CYS A 50 8.688 18.752 -18.649 1.00 0.00 H new ATOM 0 HA CYS A 50 8.887 15.941 -19.486 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.854 17.235 -20.004 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.810 18.436 -20.850 1.00 0.00 H new ATOM 0 HG CYS A 50 6.641 16.715 -22.792 1.00 0.00 H new ATOM 772 N GLY A 51 10.789 18.334 -20.736 1.00 0.00 N ATOM 773 CA GLY A 51 12.020 18.603 -21.467 1.00 0.00 C ATOM 774 C GLY A 51 11.842 18.396 -22.972 1.00 0.00 C ATOM 775 O GLY A 51 12.768 17.970 -23.658 1.00 0.00 O ATOM 0 H GLY A 51 10.342 19.176 -20.373 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.340 19.627 -21.276 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.811 17.948 -21.101 1.00 0.00 H new ATOM 779 N GLN A 52 10.644 18.703 -23.478 1.00 0.00 N ATOM 780 CA GLN A 52 10.283 18.576 -24.885 1.00 0.00 C ATOM 781 C GLN A 52 9.113 19.528 -25.135 1.00 0.00 C ATOM 782 O GLN A 52 7.999 19.068 -25.386 1.00 0.00 O ATOM 783 CB GLN A 52 9.955 17.103 -25.190 1.00 0.00 C ATOM 784 CG GLN A 52 9.974 16.827 -26.698 1.00 0.00 C ATOM 785 CD GLN A 52 11.369 16.931 -27.307 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.630 17.826 -28.106 1.00 0.00 O ATOM 787 NE2 GLN A 52 12.272 16.025 -26.934 1.00 0.00 N ATOM 0 H GLN A 52 9.881 19.056 -22.901 1.00 0.00 H new ATOM 0 HA GLN A 52 11.096 18.851 -25.557 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.677 16.457 -24.691 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.973 16.856 -24.786 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.576 15.829 -26.884 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.312 17.533 -27.199 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.018 15.296 -26.268 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.218 16.061 -27.315 1.00 0.00 H new ATOM 796 N PRO A 53 9.333 20.858 -25.062 1.00 0.00 N ATOM 797 CA PRO A 53 8.268 21.821 -25.266 1.00 0.00 C ATOM 798 C PRO A 53 7.530 21.609 -26.578 1.00 0.00 C ATOM 799 O PRO A 53 6.319 21.463 -26.584 1.00 0.00 O ATOM 800 CB PRO A 53 8.923 23.211 -25.234 1.00 0.00 C ATOM 801 CG PRO A 53 10.412 22.938 -25.436 1.00 0.00 C ATOM 802 CD PRO A 53 10.580 21.571 -24.782 1.00 0.00 C ATOM 0 HA PRO A 53 7.516 21.709 -24.485 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.527 23.854 -26.020 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.737 23.715 -24.286 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.683 22.921 -26.492 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.033 23.696 -24.960 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.438 21.040 -25.193 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.748 21.665 -23.709 1.00 0.00 H new ATOM 810 N GLN A 54 8.276 21.625 -27.678 1.00 0.00 N ATOM 811 CA GLN A 54 7.780 21.531 -29.044 1.00 0.00 C ATOM 812 C GLN A 54 6.899 20.312 -29.300 1.00 0.00 C ATOM 813 O GLN A 54 5.861 20.449 -29.949 1.00 0.00 O ATOM 814 CB GLN A 54 8.948 21.633 -30.040 1.00 0.00 C ATOM 815 CG GLN A 54 9.800 22.910 -29.881 1.00 0.00 C ATOM 816 CD GLN A 54 10.797 23.061 -31.027 1.00 0.00 C ATOM 817 OE1 GLN A 54 12.004 22.977 -30.820 1.00 0.00 O ATOM 818 NE2 GLN A 54 10.300 23.286 -32.244 1.00 0.00 N ATOM 0 H GLN A 54 9.292 21.708 -27.638 1.00 0.00 H new ATOM 0 HA GLN A 54 7.116 22.381 -29.200 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.592 20.762 -29.919 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.551 21.598 -31.054 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.148 23.783 -29.847 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.336 22.876 -28.933 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.291 23.350 -32.379 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.929 23.394 -33.040 1.00 0.00 H new ATOM 827 N GLN A 55 7.283 19.132 -28.798 1.00 0.00 N ATOM 828 CA GLN A 55 6.449 17.952 -29.006 1.00 0.00 C ATOM 829 C GLN A 55 5.092 18.190 -28.359 1.00 0.00 C ATOM 830 O GLN A 55 4.052 17.967 -28.979 1.00 0.00 O ATOM 831 CB GLN A 55 7.120 16.661 -28.517 1.00 0.00 C ATOM 832 CG GLN A 55 6.297 15.406 -28.850 1.00 0.00 C ATOM 833 CD GLN A 55 5.973 15.275 -30.337 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.811 15.144 -30.709 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.990 15.309 -31.198 1.00 0.00 N ATOM 0 H GLN A 55 8.137 18.974 -28.263 1.00 0.00 H new ATOM 0 HA GLN A 55 6.308 17.803 -30.076 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.107 16.575 -28.970 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.268 16.719 -27.439 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.847 14.522 -28.525 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.366 15.429 -28.283 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.945 15.419 -30.856 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.814 15.225 -32.199 1.00 0.00 H new ATOM 844 N LEU A 56 5.112 18.680 -27.117 1.00 0.00 N ATOM 845 CA LEU A 56 3.890 18.997 -26.423 1.00 0.00 C ATOM 846 C LEU A 56 3.165 20.112 -27.169 1.00 0.00 C ATOM 847 O LEU A 56 1.961 20.043 -27.286 1.00 0.00 O ATOM 848 CB LEU A 56 4.138 19.370 -24.949 1.00 0.00 C ATOM 849 CG LEU A 56 2.833 19.701 -24.202 1.00 0.00 C ATOM 850 CD1 LEU A 56 1.977 18.447 -23.957 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.173 20.413 -22.889 1.00 0.00 C ATOM 0 H LEU A 56 5.963 18.860 -26.585 1.00 0.00 H new ATOM 0 HA LEU A 56 3.260 18.108 -26.406 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.642 18.544 -24.447 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.809 20.228 -24.902 1.00 0.00 H new ATOM 0 HG LEU A 56 2.232 20.364 -24.825 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.066 18.726 -23.428 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.716 17.992 -24.913 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.541 17.733 -23.357 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.253 20.650 -22.355 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.793 19.762 -22.272 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.715 21.334 -23.104 1.00 0.00 H new ATOM 863 N LEU A 57 3.841 21.139 -27.684 1.00 0.00 N ATOM 864 CA LEU A 57 3.172 22.230 -28.383 1.00 0.00 C ATOM 865 C LEU A 57 2.375 21.717 -29.568 1.00 0.00 C ATOM 866 O LEU A 57 1.257 22.175 -29.790 1.00 0.00 O ATOM 867 CB LEU A 57 4.128 23.358 -28.796 1.00 0.00 C ATOM 868 CG LEU A 57 4.735 24.183 -27.643 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.652 25.247 -28.253 1.00 0.00 C ATOM 870 CD2 LEU A 57 3.644 24.848 -26.779 1.00 0.00 C ATOM 0 H LEU A 57 4.855 21.236 -27.629 1.00 0.00 H new ATOM 0 HA LEU A 57 2.476 22.670 -27.669 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.943 22.923 -29.374 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.593 24.037 -29.460 1.00 0.00 H new ATOM 0 HG LEU A 57 5.298 23.520 -26.986 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.095 25.845 -27.457 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.443 24.761 -28.825 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.072 25.893 -28.912 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.113 25.420 -25.978 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.045 25.515 -27.399 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.002 24.079 -26.349 1.00 0.00 H new ATOM 882 N GLN A 58 2.920 20.755 -30.310 1.00 0.00 N ATOM 883 CA GLN A 58 2.184 20.182 -31.425 1.00 0.00 C ATOM 884 C GLN A 58 0.950 19.462 -30.877 1.00 0.00 C ATOM 885 O GLN A 58 -0.153 19.634 -31.391 1.00 0.00 O ATOM 886 CB GLN A 58 3.090 19.254 -32.247 1.00 0.00 C ATOM 887 CG GLN A 58 2.378 18.756 -33.510 1.00 0.00 C ATOM 888 CD GLN A 58 3.308 17.903 -34.370 1.00 0.00 C ATOM 889 OE1 GLN A 58 3.976 17.003 -33.868 1.00 0.00 O ATOM 890 NE2 GLN A 58 3.367 18.180 -35.673 1.00 0.00 N ATOM 0 H GLN A 58 3.851 20.365 -30.161 1.00 0.00 H new ATOM 0 HA GLN A 58 1.850 20.966 -32.104 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.001 19.784 -32.526 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.391 18.402 -31.637 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.501 18.173 -33.230 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.022 19.608 -34.090 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.800 18.934 -36.060 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.979 17.638 -36.282 1.00 0.00 H new ATOM 899 N VAL A 59 1.146 18.667 -29.819 1.00 0.00 N ATOM 900 CA VAL A 59 0.077 17.904 -29.187 1.00 0.00 C ATOM 901 C VAL A 59 -1.020 18.778 -28.588 1.00 0.00 C ATOM 902 O VAL A 59 -2.189 18.406 -28.587 1.00 0.00 O ATOM 903 CB VAL A 59 0.654 16.952 -28.114 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.429 17.348 -26.639 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.025 15.618 -28.227 1.00 0.00 C ATOM 0 H VAL A 59 2.057 18.538 -29.379 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.393 17.321 -29.979 1.00 0.00 H new ATOM 0 HB VAL A 59 1.724 16.970 -28.319 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.881 16.599 -25.988 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.887 18.319 -26.449 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.641 17.406 -26.437 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.376 14.940 -27.473 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.097 15.741 -28.071 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.152 15.203 -29.219 1.00 0.00 H new ATOM 915 N LEU A 60 -0.610 19.918 -28.041 1.00 0.00 N ATOM 916 CA LEU A 60 -1.391 20.897 -27.341 1.00 0.00 C ATOM 917 C LEU A 60 -2.081 21.802 -28.357 1.00 0.00 C ATOM 918 O LEU A 60 -3.162 22.296 -28.071 1.00 0.00 O ATOM 919 CB LEU A 60 -0.432 21.542 -26.344 1.00 0.00 C ATOM 920 CG LEU A 60 -0.834 22.860 -25.741 1.00 0.00 C ATOM 921 CD1 LEU A 60 -2.208 22.858 -25.047 1.00 0.00 C ATOM 922 CD2 LEU A 60 0.181 23.110 -24.644 1.00 0.00 C ATOM 0 H LEU A 60 0.371 20.192 -28.089 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.228 20.510 -26.759 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.270 20.836 -25.530 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.528 21.680 -26.842 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.880 23.598 -26.542 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.413 23.849 -24.643 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.980 22.594 -25.770 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.205 22.129 -24.237 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.041 24.057 -24.151 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.135 22.301 -23.914 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.181 23.152 -25.076 1.00 0.00 H new ATOM 934 N GLN A 61 -1.500 22.005 -29.547 1.00 0.00 N ATOM 935 CA GLN A 61 -2.106 22.850 -30.568 1.00 0.00 C ATOM 936 C GLN A 61 -3.130 22.069 -31.392 1.00 0.00 C ATOM 937 O GLN A 61 -4.188 22.602 -31.722 1.00 0.00 O ATOM 938 CB GLN A 61 -1.014 23.475 -31.459 1.00 0.00 C ATOM 939 CG GLN A 61 -1.547 24.261 -32.670 1.00 0.00 C ATOM 940 CD GLN A 61 -0.452 25.135 -33.274 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.353 24.663 -34.072 1.00 0.00 O ATOM 942 NE2 GLN A 61 -0.417 26.415 -32.903 1.00 0.00 N ATOM 0 H GLN A 61 -0.609 21.591 -29.821 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.643 23.661 -30.076 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.404 24.142 -30.850 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.358 22.682 -31.818 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.922 23.568 -33.423 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.388 24.883 -32.364 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.103 26.772 -32.237 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.295 27.037 -33.285 1.00 0.00 H new ATOM 951 N GLN A 62 -2.815 20.814 -31.732 1.00 0.00 N ATOM 952 CA GLN A 62 -3.681 19.970 -32.545 1.00 0.00 C ATOM 953 C GLN A 62 -4.936 19.547 -31.785 1.00 0.00 C ATOM 954 O GLN A 62 -5.996 19.384 -32.385 1.00 0.00 O ATOM 955 CB GLN A 62 -2.892 18.762 -33.076 1.00 0.00 C ATOM 956 CG GLN A 62 -2.725 17.648 -32.035 1.00 0.00 C ATOM 957 CD GLN A 62 -1.772 16.557 -32.511 1.00 0.00 C ATOM 958 OE1 GLN A 62 -0.568 16.774 -32.603 1.00 0.00 O ATOM 959 NE2 GLN A 62 -2.301 15.369 -32.807 1.00 0.00 N ATOM 0 H GLN A 62 -1.948 20.359 -31.447 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.025 20.552 -33.400 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.401 18.359 -33.952 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.907 19.095 -33.405 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.351 18.075 -31.104 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.698 17.209 -31.816 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.307 15.222 -32.719 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.700 14.607 -33.121 1.00 0.00 H new ATOM 968 N THR A 63 -4.811 19.360 -30.467 1.00 0.00 N ATOM 969 CA THR A 63 -5.918 18.938 -29.625 1.00 0.00 C ATOM 970 C THR A 63 -6.838 20.110 -29.286 1.00 0.00 C ATOM 971 O THR A 63 -8.030 19.900 -29.069 1.00 0.00 O ATOM 972 CB THR A 63 -5.383 18.203 -28.385 1.00 0.00 C ATOM 973 OG1 THR A 63 -6.413 17.484 -27.736 1.00 0.00 O ATOM 974 CG2 THR A 63 -4.753 19.171 -27.388 1.00 0.00 C ATOM 0 H THR A 63 -3.936 19.499 -29.961 1.00 0.00 H new ATOM 0 HA THR A 63 -6.539 18.230 -30.174 1.00 0.00 H new ATOM 0 HB THR A 63 -4.620 17.509 -28.737 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.068 16.618 -27.435 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.386 18.616 -26.524 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.923 19.694 -27.863 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.500 19.896 -27.063 1.00 0.00 H new ATOM 982 N LEU A 64 -6.296 21.335 -29.235 1.00 0.00 N ATOM 983 CA LEU A 64 -7.073 22.524 -28.894 1.00 0.00 C ATOM 984 C LEU A 64 -6.275 23.798 -29.203 1.00 0.00 C ATOM 985 O LEU A 64 -5.143 23.902 -28.748 1.00 0.00 O ATOM 986 CB LEU A 64 -7.422 22.439 -27.392 1.00 0.00 C ATOM 987 CG LEU A 64 -8.006 23.723 -26.776 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.199 23.388 -25.872 1.00 0.00 C ATOM 989 CD2 LEU A 64 -6.947 24.448 -25.935 1.00 0.00 C ATOM 0 H LEU A 64 -5.312 21.524 -29.428 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.986 22.567 -29.488 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.137 21.629 -27.248 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.521 22.170 -26.842 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.330 24.367 -27.594 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.601 24.307 -25.444 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.972 22.893 -26.459 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.873 22.726 -25.070 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.379 25.353 -25.508 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.609 23.793 -25.132 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.100 24.714 -26.567 1.00 0.00 H new ATOM 1001 N PRO A 65 -6.814 24.787 -29.939 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.102 26.031 -30.217 1.00 0.00 C ATOM 1003 C PRO A 65 -5.961 26.814 -28.898 1.00 0.00 C ATOM 1004 O PRO A 65 -6.973 27.280 -28.380 1.00 0.00 O ATOM 1005 CB PRO A 65 -6.966 26.771 -31.245 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.378 26.246 -30.989 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.141 24.805 -30.538 1.00 0.00 C ATOM 0 HA PRO A 65 -5.096 25.885 -30.611 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.911 27.851 -31.109 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.641 26.561 -32.264 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.891 26.828 -30.223 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.993 26.290 -31.888 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.898 24.491 -29.819 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.198 24.117 -31.382 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.756 26.960 -28.316 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.555 27.642 -27.047 1.00 0.00 C ATOM 1017 C PRO A 66 -4.244 29.133 -27.246 1.00 0.00 C ATOM 1018 O PRO A 66 -3.166 29.467 -27.734 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.407 26.878 -26.374 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.710 26.094 -27.495 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.466 26.466 -28.769 1.00 0.00 C ATOM 0 HA PRO A 66 -5.451 27.638 -26.426 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.714 27.564 -25.887 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.784 26.206 -25.603 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.656 26.364 -27.569 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.752 25.021 -27.311 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.930 27.227 -29.337 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.583 25.603 -29.424 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.142 30.056 -26.856 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.883 31.488 -26.961 1.00 0.00 C ATOM 1031 C PRO A 67 -3.889 31.932 -25.881 1.00 0.00 C ATOM 1032 O PRO A 67 -3.302 33.004 -25.972 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.243 32.154 -26.761 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.967 31.193 -25.821 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.449 29.822 -26.256 1.00 0.00 C ATOM 0 HA PRO A 67 -4.440 31.758 -27.919 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.144 33.147 -26.324 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.776 32.273 -27.704 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.733 31.399 -24.776 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.049 31.266 -25.926 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.372 29.146 -25.404 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.128 29.357 -26.971 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.696 31.093 -24.862 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.769 31.316 -23.765 1.00 0.00 C ATOM 1045 C VAL A 68 -1.357 31.067 -24.271 1.00 0.00 C ATOM 1046 O VAL A 68 -0.473 31.878 -24.028 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.108 30.404 -22.579 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.953 30.410 -21.575 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.403 30.919 -21.946 1.00 0.00 C ATOM 0 H VAL A 68 -4.201 30.211 -24.780 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.848 32.344 -23.411 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.251 29.374 -22.906 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.198 29.761 -20.734 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.047 30.048 -22.061 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.790 31.425 -21.214 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.669 30.288 -21.098 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.259 31.944 -21.605 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.205 30.892 -22.684 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.162 29.949 -24.972 1.00 0.00 N ATOM 1060 CA PHE A 69 0.115 29.552 -25.572 1.00 0.00 C ATOM 1061 C PHE A 69 0.841 30.739 -26.212 1.00 0.00 C ATOM 1062 O PHE A 69 2.019 30.961 -25.944 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.136 28.411 -26.568 1.00 0.00 C ATOM 1064 CG PHE A 69 0.757 28.343 -27.788 1.00 0.00 C ATOM 1065 CD1 PHE A 69 2.118 28.026 -27.655 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.215 28.597 -29.064 1.00 0.00 C ATOM 1067 CE1 PHE A 69 2.934 27.961 -28.797 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.033 28.533 -30.203 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.393 28.213 -30.070 1.00 0.00 C ATOM 0 H PHE A 69 -1.908 29.275 -25.143 1.00 0.00 H new ATOM 0 HA PHE A 69 0.783 29.192 -24.789 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.044 27.468 -26.030 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.168 28.483 -26.910 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.536 27.833 -26.678 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.832 28.841 -29.166 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.981 27.716 -28.697 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.617 28.730 -31.180 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.024 28.160 -30.945 1.00 0.00 H new ATOM 1079 N GLN A 70 0.138 31.509 -27.044 1.00 0.00 N ATOM 1080 CA GLN A 70 0.737 32.669 -27.716 1.00 0.00 C ATOM 1081 C GLN A 70 1.211 33.742 -26.721 1.00 0.00 C ATOM 1082 O GLN A 70 2.185 34.443 -26.989 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.170 33.238 -28.815 1.00 0.00 C ATOM 1084 CG GLN A 70 -1.573 33.560 -28.306 1.00 0.00 C ATOM 1085 CD GLN A 70 -2.453 34.130 -29.408 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -3.282 33.426 -29.978 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -2.274 35.414 -29.712 1.00 0.00 N ATOM 0 H GLN A 70 -0.844 31.353 -27.270 1.00 0.00 H new ATOM 0 HA GLN A 70 1.634 32.308 -28.220 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.282 34.142 -29.222 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.239 32.520 -29.632 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.031 32.656 -27.905 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.508 34.275 -27.486 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.574 35.963 -29.214 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.837 35.848 -30.443 1.00 0.00 H new ATOM 1096 N MET A 71 0.548 33.857 -25.565 1.00 0.00 N ATOM 1097 CA MET A 71 0.907 34.778 -24.499 1.00 0.00 C ATOM 1098 C MET A 71 2.056 34.156 -23.708 1.00 0.00 C ATOM 1099 O MET A 71 2.918 34.875 -23.219 1.00 0.00 O ATOM 1100 CB MET A 71 -0.292 35.122 -23.597 1.00 0.00 C ATOM 1101 CG MET A 71 -1.526 35.625 -24.364 1.00 0.00 C ATOM 1102 SD MET A 71 -2.683 36.645 -23.409 1.00 0.00 S ATOM 1103 CE MET A 71 -3.170 35.473 -22.127 1.00 0.00 C ATOM 0 H MET A 71 -0.274 33.294 -25.346 1.00 0.00 H new ATOM 0 HA MET A 71 1.225 35.728 -24.930 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.569 34.237 -23.024 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.013 35.884 -22.879 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.186 36.202 -25.224 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.066 34.762 -24.752 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.897 35.941 -21.463 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.615 34.592 -22.589 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.292 35.177 -21.553 1.00 0.00 H new ATOM 1113 N LEU A 72 2.112 32.823 -23.606 1.00 0.00 N ATOM 1114 CA LEU A 72 3.210 32.131 -22.952 1.00 0.00 C ATOM 1115 C LEU A 72 4.479 32.484 -23.714 1.00 0.00 C ATOM 1116 O LEU A 72 5.503 32.804 -23.117 1.00 0.00 O ATOM 1117 CB LEU A 72 2.919 30.613 -22.859 1.00 0.00 C ATOM 1118 CG LEU A 72 4.080 29.655 -23.174 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.117 29.609 -22.048 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.522 28.243 -23.361 1.00 0.00 C ATOM 0 H LEU A 72 1.394 32.201 -23.977 1.00 0.00 H new ATOM 0 HA LEU A 72 3.337 32.447 -21.917 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.567 30.398 -21.850 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.098 30.384 -23.538 1.00 0.00 H new ATOM 0 HG LEU A 72 4.569 30.020 -24.077 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.916 28.919 -22.318 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.533 30.605 -21.896 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.640 29.270 -21.128 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.338 27.556 -23.585 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.021 27.926 -22.446 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.809 28.240 -24.185 1.00 0.00 H new ATOM 1132 N LEU A 73 4.395 32.455 -25.043 1.00 0.00 N ATOM 1133 CA LEU A 73 5.543 32.786 -25.871 1.00 0.00 C ATOM 1134 C LEU A 73 5.907 34.257 -25.790 1.00 0.00 C ATOM 1135 O LEU A 73 7.065 34.593 -26.008 1.00 0.00 O ATOM 1136 CB LEU A 73 5.306 32.468 -27.349 1.00 0.00 C ATOM 1137 CG LEU A 73 4.891 31.041 -27.725 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.840 31.030 -29.247 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.831 29.966 -27.179 1.00 0.00 C ATOM 0 H LEU A 73 3.552 32.208 -25.561 1.00 0.00 H new ATOM 0 HA LEU A 73 6.353 32.172 -25.477 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.536 33.146 -27.716 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.222 32.702 -27.891 1.00 0.00 H new ATOM 0 HG LEU A 73 3.929 30.792 -27.277 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.549 30.039 -29.594 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.111 31.764 -29.592 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.823 31.280 -29.646 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.475 28.982 -27.484 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.835 30.127 -27.572 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.854 30.022 -26.091 1.00 0.00 H new ATOM 1151 N THR A 74 4.940 35.128 -25.501 1.00 0.00 N ATOM 1152 CA THR A 74 5.213 36.552 -25.405 1.00 0.00 C ATOM 1153 C THR A 74 5.700 36.921 -24.004 1.00 0.00 C ATOM 1154 O THR A 74 6.386 37.928 -23.843 1.00 0.00 O ATOM 1155 CB THR A 74 4.061 37.406 -25.955 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.574 38.546 -26.618 1.00 0.00 O ATOM 1157 CG2 THR A 74 3.137 37.892 -24.850 1.00 0.00 C ATOM 0 H THR A 74 3.968 34.869 -25.331 1.00 0.00 H new ATOM 0 HA THR A 74 6.044 36.797 -26.066 1.00 0.00 H new ATOM 0 HB THR A 74 3.499 36.772 -26.641 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.832 39.083 -26.966 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.336 38.492 -25.283 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.708 37.035 -24.331 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.703 38.498 -24.143 1.00 0.00 H new ATOM 1165 N LYS A 75 5.356 36.114 -22.990 1.00 0.00 N ATOM 1166 CA LYS A 75 5.750 36.377 -21.618 1.00 0.00 C ATOM 1167 C LYS A 75 7.269 36.291 -21.423 1.00 0.00 C ATOM 1168 O LYS A 75 7.857 37.234 -20.898 1.00 0.00 O ATOM 1169 CB LYS A 75 4.957 35.411 -20.731 1.00 0.00 C ATOM 1170 CG LYS A 75 3.555 35.957 -20.403 1.00 0.00 C ATOM 1171 CD LYS A 75 3.477 36.786 -19.113 1.00 0.00 C ATOM 1172 CE LYS A 75 3.516 35.915 -17.847 1.00 0.00 C ATOM 1173 NZ LYS A 75 3.149 36.691 -16.646 1.00 0.00 N ATOM 0 H LYS A 75 4.799 35.267 -23.107 1.00 0.00 H new ATOM 0 HA LYS A 75 5.512 37.402 -21.335 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.864 34.449 -21.234 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.504 35.235 -19.805 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.215 36.573 -21.236 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.863 35.119 -20.323 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.307 37.493 -19.089 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.558 37.373 -19.118 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.832 35.074 -17.961 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.515 35.498 -17.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.937 36.040 -15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.940 37.310 -16.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.310 37.271 -16.850 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.244 13.618 -25.464 1.00 0.00 N ATOM 1589 CA LEU B 7 -3.956 13.262 -26.032 1.00 0.00 C ATOM 1590 C LEU B 7 -3.062 12.563 -25.027 1.00 0.00 C ATOM 1591 O LEU B 7 -2.403 11.610 -25.404 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.271 14.450 -26.742 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.784 15.703 -25.974 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.830 16.437 -25.143 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.516 15.484 -25.138 1.00 0.00 C ATOM 0 HA LEU B 7 -4.149 12.531 -26.817 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.403 14.045 -27.263 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.965 14.801 -27.505 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.539 16.363 -26.807 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.369 17.295 -24.654 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.636 16.779 -25.792 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.234 15.762 -24.388 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.247 16.413 -24.635 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.700 14.708 -24.394 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.699 15.175 -25.790 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.032 13.011 -23.770 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.144 12.451 -22.757 1.00 0.00 C ATOM 1609 C LEU B 8 -2.398 10.969 -22.469 1.00 0.00 C ATOM 1610 O LEU B 8 -1.552 10.321 -21.859 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.086 13.307 -21.492 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.448 14.719 -21.575 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.062 14.779 -22.237 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.429 15.789 -22.062 1.00 0.00 C ATOM 0 H LEU B 8 -3.622 13.770 -23.429 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.145 12.484 -23.193 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.106 13.426 -21.127 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.541 12.742 -20.736 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.224 14.975 -20.539 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.293 15.809 -22.244 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.636 14.158 -21.676 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.132 14.412 -23.261 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.925 16.755 -22.099 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.787 15.528 -23.058 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.274 15.847 -21.376 1.00 0.00 H new