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 Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.15) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 1.18 K(o=1.2,f=-0.011) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0152 (180deg=-0.313) USER MOD Single : A 42 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.7!) USER MOD Single : A 44 THR OG1 : rot 75:sc= 1.17 USER MOD Single : A 45 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.309 K(o=0.31,f=-8.9!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 55 GLN : amide:sc= -0.0708 X(o=-0.071,f=-0.071) USER MOD Single : A 58 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.1) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -172:sc=-0.00201 (180deg=-0.028) USER MOD Single : A 74 THR OG1 : rot -31:sc= 0.544 USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.231 7.420 -14.108 1.00 0.00 N ATOM 205 CA GLU A 14 4.827 7.406 -13.708 1.00 0.00 C ATOM 206 C GLU A 14 4.500 8.642 -12.867 1.00 0.00 C ATOM 207 O GLU A 14 3.509 9.324 -13.106 1.00 0.00 O ATOM 208 CB GLU A 14 4.499 6.127 -12.921 1.00 0.00 C ATOM 209 CG GLU A 14 2.981 5.917 -12.799 1.00 0.00 C ATOM 210 CD GLU A 14 2.632 4.949 -11.674 1.00 0.00 C ATOM 211 OE1 GLU A 14 3.218 3.847 -11.669 1.00 0.00 O ATOM 212 OE2 GLU A 14 1.800 5.342 -10.824 1.00 0.00 O ATOM 0 HA GLU A 14 4.215 7.423 -14.610 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.948 5.267 -13.418 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.941 6.187 -11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.495 6.876 -12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.590 5.535 -13.742 1.00 0.00 H new ATOM 219 N ALA A 15 5.347 8.931 -11.878 1.00 0.00 N ATOM 220 CA ALA A 15 5.187 10.060 -10.965 1.00 0.00 C ATOM 221 C ALA A 15 5.229 11.387 -11.712 1.00 0.00 C ATOM 222 O ALA A 15 4.593 12.359 -11.308 1.00 0.00 O ATOM 223 CB ALA A 15 6.314 10.064 -9.932 1.00 0.00 C ATOM 0 H ALA A 15 6.180 8.374 -11.687 1.00 0.00 H new ATOM 0 HA ALA A 15 4.218 9.948 -10.478 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.185 10.910 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.287 9.136 -9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.274 10.149 -10.441 1.00 0.00 H new ATOM 229 N VAL A 16 6.005 11.406 -12.794 1.00 0.00 N ATOM 230 CA VAL A 16 6.202 12.575 -13.630 1.00 0.00 C ATOM 231 C VAL A 16 5.059 12.653 -14.627 1.00 0.00 C ATOM 232 O VAL A 16 4.684 13.755 -15.002 1.00 0.00 O ATOM 233 CB VAL A 16 7.610 12.575 -14.253 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.706 13.053 -15.699 1.00 0.00 C ATOM 235 CG2 VAL A 16 8.604 13.316 -13.377 1.00 0.00 C ATOM 0 H VAL A 16 6.523 10.588 -13.116 1.00 0.00 H new ATOM 0 HA VAL A 16 6.170 13.492 -13.041 1.00 0.00 H new ATOM 0 HB VAL A 16 7.870 11.517 -14.298 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.744 13.009 -16.029 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.096 12.412 -16.335 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.347 14.080 -15.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.588 13.297 -13.846 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.281 14.350 -13.254 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.658 12.834 -12.401 1.00 0.00 H new ATOM 245 N GLN A 17 4.484 11.518 -15.040 1.00 0.00 N ATOM 246 CA GLN A 17 3.360 11.541 -15.962 1.00 0.00 C ATOM 247 C GLN A 17 2.156 12.087 -15.214 1.00 0.00 C ATOM 248 O GLN A 17 1.461 12.963 -15.723 1.00 0.00 O ATOM 249 CB GLN A 17 3.050 10.168 -16.577 1.00 0.00 C ATOM 250 CG GLN A 17 1.872 10.298 -17.552 1.00 0.00 C ATOM 251 CD GLN A 17 1.749 9.092 -18.478 1.00 0.00 C ATOM 252 OE1 GLN A 17 1.046 8.136 -18.164 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.415 9.154 -19.631 1.00 0.00 N ATOM 0 H GLN A 17 4.779 10.586 -14.750 1.00 0.00 H new ATOM 0 HA GLN A 17 3.617 12.181 -16.806 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.927 9.785 -17.099 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.808 9.452 -15.791 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.947 10.415 -16.987 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.996 11.201 -18.150 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.987 9.971 -19.846 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.353 8.385 -20.298 1.00 0.00 H new ATOM 262 N LYS A 18 1.930 11.564 -14.003 1.00 0.00 N ATOM 263 CA LYS A 18 0.810 11.993 -13.180 1.00 0.00 C ATOM 264 C LYS A 18 0.952 13.481 -12.858 1.00 0.00 C ATOM 265 O LYS A 18 -0.012 14.225 -13.005 1.00 0.00 O ATOM 266 CB LYS A 18 0.678 11.104 -11.923 1.00 0.00 C ATOM 267 CG LYS A 18 0.376 9.611 -12.207 1.00 0.00 C ATOM 268 CD LYS A 18 0.175 8.751 -10.951 1.00 0.00 C ATOM 269 CE LYS A 18 1.450 8.559 -10.112 1.00 0.00 C ATOM 270 NZ LYS A 18 1.319 7.419 -9.186 1.00 0.00 N ATOM 0 H LYS A 18 2.513 10.843 -13.577 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.123 11.870 -13.730 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.603 11.170 -11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.115 11.506 -11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.520 9.546 -12.824 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.196 9.192 -12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.592 9.211 -10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.201 7.773 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.301 8.396 -10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.655 9.468 -9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.994 7.529 -8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.351 7.389 -8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.520 6.534 -9.694 1.00 0.00 H new ATOM 284 N PHE A 19 2.144 13.931 -12.451 1.00 0.00 N ATOM 285 CA PHE A 19 2.380 15.341 -12.162 1.00 0.00 C ATOM 286 C PHE A 19 2.230 16.202 -13.429 1.00 0.00 C ATOM 287 O PHE A 19 1.597 17.256 -13.394 1.00 0.00 O ATOM 288 CB PHE A 19 3.775 15.530 -11.526 1.00 0.00 C ATOM 289 CG PHE A 19 4.309 16.941 -11.693 1.00 0.00 C ATOM 290 CD1 PHE A 19 4.943 17.280 -12.900 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.164 17.916 -10.689 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.408 18.581 -13.111 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.647 19.222 -10.900 1.00 0.00 C ATOM 294 CZ PHE A 19 5.265 19.552 -12.123 1.00 0.00 C ATOM 0 H PHE A 19 2.959 13.333 -12.315 1.00 0.00 H new ATOM 0 HA PHE A 19 1.626 15.675 -11.449 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.721 15.290 -10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.474 14.826 -11.977 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.072 16.532 -13.668 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.682 17.663 -9.756 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.882 18.835 -14.048 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.544 19.969 -10.127 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.627 20.555 -12.293 1.00 0.00 H new ATOM 304 N PHE A 20 2.835 15.765 -14.539 1.00 0.00 N ATOM 305 CA PHE A 20 2.834 16.484 -15.815 1.00 0.00 C ATOM 306 C PHE A 20 1.383 16.762 -16.203 1.00 0.00 C ATOM 307 O PHE A 20 1.020 17.892 -16.525 1.00 0.00 O ATOM 308 CB PHE A 20 3.596 15.652 -16.858 1.00 0.00 C ATOM 309 CG PHE A 20 3.657 16.100 -18.299 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.020 17.418 -18.613 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.381 15.182 -19.331 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.110 17.820 -19.955 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.474 15.583 -20.672 1.00 0.00 C ATOM 314 CZ PHE A 20 3.843 16.900 -20.984 1.00 0.00 C ATOM 0 H PHE A 20 3.349 14.884 -14.575 1.00 0.00 H new ATOM 0 HA PHE A 20 3.346 17.444 -15.745 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.623 15.558 -16.506 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.164 14.652 -16.850 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.230 18.123 -17.823 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.097 14.168 -19.090 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.384 18.836 -20.197 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.262 14.879 -21.463 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.922 17.208 -22.016 1.00 0.00 H new ATOM 324 N LEU A 21 0.547 15.720 -16.129 1.00 0.00 N ATOM 325 CA LEU A 21 -0.876 15.807 -16.404 1.00 0.00 C ATOM 326 C LEU A 21 -1.584 16.644 -15.350 1.00 0.00 C ATOM 327 O LEU A 21 -2.450 17.437 -15.707 1.00 0.00 O ATOM 328 CB LEU A 21 -1.492 14.398 -16.483 1.00 0.00 C ATOM 329 CG LEU A 21 -1.743 13.866 -17.905 1.00 0.00 C ATOM 330 CD1 LEU A 21 -2.025 12.361 -17.796 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.930 14.639 -18.495 1.00 0.00 C ATOM 0 H LEU A 21 0.853 14.782 -15.872 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.009 16.299 -17.367 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.833 13.702 -15.964 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.439 14.403 -15.943 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.886 14.007 -18.564 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.208 11.952 -18.790 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.165 11.861 -17.350 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.903 12.200 -17.170 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.131 14.282 -19.505 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.811 14.483 -17.873 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.692 15.702 -18.527 1.00 0.00 H new ATOM 343 N GLU A 22 -1.225 16.502 -14.071 1.00 0.00 N ATOM 344 CA GLU A 22 -1.838 17.305 -13.021 1.00 0.00 C ATOM 345 C GLU A 22 -1.677 18.786 -13.370 1.00 0.00 C ATOM 346 O GLU A 22 -2.584 19.567 -13.121 1.00 0.00 O ATOM 347 CB GLU A 22 -1.194 17.011 -11.654 1.00 0.00 C ATOM 348 CG GLU A 22 -1.885 17.729 -10.487 1.00 0.00 C ATOM 349 CD GLU A 22 -0.946 17.810 -9.294 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.642 16.756 -8.698 1.00 0.00 O ATOM 351 OE2 GLU A 22 -0.459 18.924 -9.010 1.00 0.00 O ATOM 0 H GLU A 22 -0.518 15.843 -13.744 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.896 17.052 -12.953 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.216 15.936 -11.474 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.146 17.307 -11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.184 18.731 -10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.794 17.196 -10.209 1.00 0.00 H new ATOM 358 N GLU A 23 -0.528 19.163 -13.943 1.00 0.00 N ATOM 359 CA GLU A 23 -0.195 20.531 -14.296 1.00 0.00 C ATOM 360 C GLU A 23 -0.887 20.946 -15.595 1.00 0.00 C ATOM 361 O GLU A 23 -1.449 22.035 -15.667 1.00 0.00 O ATOM 362 CB GLU A 23 1.330 20.683 -14.319 1.00 0.00 C ATOM 363 CG GLU A 23 1.711 22.157 -14.230 1.00 0.00 C ATOM 364 CD GLU A 23 3.148 22.320 -13.759 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.011 21.602 -14.308 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.346 23.147 -12.841 1.00 0.00 O ATOM 0 H GLU A 23 0.211 18.499 -14.177 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.574 21.223 -13.544 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.771 20.135 -13.486 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.733 20.250 -15.235 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.588 22.628 -15.205 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.038 22.669 -13.542 1.00 0.00 H new ATOM 373 N ILE A 24 -0.874 20.069 -16.607 1.00 0.00 N ATOM 374 CA ILE A 24 -1.553 20.298 -17.891 1.00 0.00 C ATOM 375 C ILE A 24 -3.038 20.604 -17.595 1.00 0.00 C ATOM 376 O ILE A 24 -3.610 21.563 -18.127 1.00 0.00 O ATOM 377 CB ILE A 24 -1.324 19.105 -18.893 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.222 19.343 -19.968 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.605 18.547 -19.541 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.423 18.510 -21.233 1.00 0.00 C ATOM 0 H ILE A 24 -0.388 19.173 -16.558 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.127 21.159 -18.407 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.944 18.333 -18.224 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.207 20.400 -20.235 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.752 19.109 -19.538 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.346 17.730 -20.214 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.275 18.179 -18.764 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.102 19.337 -20.104 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.378 18.723 -21.940 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.409 17.451 -20.977 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.382 18.761 -21.685 1.00 0.00 H new ATOM 392 N GLN A 25 -3.656 19.791 -16.725 1.00 0.00 N ATOM 393 CA GLN A 25 -5.063 19.926 -16.352 1.00 0.00 C ATOM 394 C GLN A 25 -5.297 21.092 -15.393 1.00 0.00 C ATOM 395 O GLN A 25 -6.229 21.867 -15.589 1.00 0.00 O ATOM 396 CB GLN A 25 -5.600 18.597 -15.781 1.00 0.00 C ATOM 397 CG GLN A 25 -5.535 17.387 -16.738 1.00 0.00 C ATOM 398 CD GLN A 25 -6.148 16.144 -16.102 1.00 0.00 C ATOM 399 OE1 GLN A 25 -5.434 15.269 -15.621 1.00 0.00 O ATOM 400 NE2 GLN A 25 -7.478 16.054 -16.105 1.00 0.00 N ATOM 0 H GLN A 25 -3.184 19.016 -16.259 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.625 20.158 -17.257 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.037 18.355 -14.879 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.637 18.744 -15.479 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.062 17.623 -17.662 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.497 17.187 -17.005 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.039 16.801 -16.514 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.935 15.238 -15.698 1.00 0.00 H new ATOM 409 N LEU A 26 -4.455 21.229 -14.367 1.00 0.00 N ATOM 410 CA LEU A 26 -4.542 22.318 -13.387 1.00 0.00 C ATOM 411 C LEU A 26 -4.496 23.650 -14.135 1.00 0.00 C ATOM 412 O LEU A 26 -5.290 24.542 -13.844 1.00 0.00 O ATOM 413 CB LEU A 26 -3.463 22.146 -12.303 1.00 0.00 C ATOM 414 CG LEU A 26 -3.198 23.248 -11.276 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.614 24.528 -11.870 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.444 23.545 -10.460 1.00 0.00 C ATOM 0 H LEU A 26 -3.686 20.583 -14.190 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.488 22.297 -12.845 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.711 21.243 -11.746 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.521 21.955 -12.817 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.426 22.853 -10.616 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.456 25.258 -11.076 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.662 24.304 -12.352 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.306 24.936 -12.606 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.227 24.332 -9.738 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.244 23.872 -11.124 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.756 22.644 -9.932 1.00 0.00 H new ATOM 428 N GLY A 27 -3.592 23.771 -15.113 1.00 0.00 N ATOM 429 CA GLY A 27 -3.470 24.954 -15.948 1.00 0.00 C ATOM 430 C GLY A 27 -4.790 25.129 -16.674 1.00 0.00 C ATOM 431 O GLY A 27 -5.473 26.116 -16.417 1.00 0.00 O ATOM 0 H GLY A 27 -2.921 23.038 -15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.245 25.831 -15.342 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.652 24.840 -16.659 1.00 0.00 H new ATOM 435 N GLU A 28 -5.168 24.180 -17.545 1.00 0.00 N ATOM 436 CA GLU A 28 -6.450 24.272 -18.251 1.00 0.00 C ATOM 437 C GLU A 28 -7.598 24.792 -17.363 1.00 0.00 C ATOM 438 O GLU A 28 -8.317 25.709 -17.751 1.00 0.00 O ATOM 439 CB GLU A 28 -6.821 22.918 -18.868 1.00 0.00 C ATOM 440 CG GLU A 28 -8.022 23.091 -19.809 1.00 0.00 C ATOM 441 CD GLU A 28 -8.579 21.766 -20.330 1.00 0.00 C ATOM 442 OE1 GLU A 28 -8.200 20.712 -19.775 1.00 0.00 O ATOM 443 OE2 GLU A 28 -9.383 21.826 -21.285 1.00 0.00 O ATOM 0 H GLU A 28 -4.613 23.355 -17.773 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.314 25.008 -19.043 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.971 22.513 -19.417 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.063 22.203 -18.082 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.812 23.627 -19.283 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.725 23.710 -20.656 1.00 0.00 H new ATOM 450 N GLU A 29 -7.754 24.219 -16.168 1.00 0.00 N ATOM 451 CA GLU A 29 -8.786 24.605 -15.201 1.00 0.00 C ATOM 452 C GLU A 29 -8.598 26.041 -14.717 1.00 0.00 C ATOM 453 O GLU A 29 -9.544 26.822 -14.742 1.00 0.00 O ATOM 454 CB GLU A 29 -8.849 23.605 -14.035 1.00 0.00 C ATOM 455 CG GLU A 29 -9.520 24.125 -12.749 1.00 0.00 C ATOM 456 CD GLU A 29 -10.908 24.728 -12.953 1.00 0.00 C ATOM 457 OE1 GLU A 29 -11.689 24.126 -13.722 1.00 0.00 O ATOM 458 OE2 GLU A 29 -11.163 25.779 -12.323 1.00 0.00 O ATOM 0 H GLU A 29 -7.157 23.461 -15.838 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.749 24.572 -15.710 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.385 22.717 -14.370 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.833 23.292 -13.793 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.597 23.303 -12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.874 24.878 -12.297 1.00 0.00 H new ATOM 465 N LEU A 30 -7.395 26.420 -14.276 1.00 0.00 N ATOM 466 CA LEU A 30 -7.169 27.786 -13.823 1.00 0.00 C ATOM 467 C LEU A 30 -7.513 28.760 -14.943 1.00 0.00 C ATOM 468 O LEU A 30 -8.096 29.809 -14.691 1.00 0.00 O ATOM 469 CB LEU A 30 -5.725 27.997 -13.334 1.00 0.00 C ATOM 470 CG LEU A 30 -5.453 27.696 -11.848 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.973 27.969 -11.564 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.281 28.576 -10.895 1.00 0.00 C ATOM 0 H LEU A 30 -6.579 25.810 -14.225 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.821 27.975 -12.970 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.066 27.371 -13.935 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.446 29.033 -13.529 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.730 26.656 -11.672 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.759 27.762 -10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.357 27.327 -12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.748 29.013 -11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.045 28.317 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.042 29.625 -11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.343 28.410 -11.077 1.00 0.00 H new ATOM 484 N LEU A 31 -7.185 28.414 -16.187 1.00 0.00 N ATOM 485 CA LEU A 31 -7.504 29.249 -17.339 1.00 0.00 C ATOM 486 C LEU A 31 -9.010 29.286 -17.516 1.00 0.00 C ATOM 487 O LEU A 31 -9.569 30.340 -17.808 1.00 0.00 O ATOM 488 CB LEU A 31 -6.782 28.705 -18.554 1.00 0.00 C ATOM 489 CG LEU A 31 -5.300 29.086 -18.497 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.617 29.120 -17.126 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.574 28.071 -19.360 1.00 0.00 C ATOM 0 H LEU A 31 -6.693 27.552 -16.422 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.168 30.276 -17.193 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.886 27.621 -18.594 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.233 29.102 -19.463 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.250 30.122 -18.831 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.572 29.406 -17.247 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.120 29.846 -16.487 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.672 28.133 -16.667 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.506 28.291 -19.360 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.739 27.070 -18.961 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.955 28.122 -20.380 1.00 0.00 H new ATOM 503 N ALA A 32 -9.661 28.146 -17.273 1.00 0.00 N ATOM 504 CA ALA A 32 -11.112 28.060 -17.283 1.00 0.00 C ATOM 505 C ALA A 32 -11.711 29.013 -16.230 1.00 0.00 C ATOM 506 O ALA A 32 -12.885 29.362 -16.327 1.00 0.00 O ATOM 507 CB ALA A 32 -11.590 26.613 -17.096 1.00 0.00 C ATOM 0 H ALA A 32 -9.194 27.263 -17.065 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.471 28.379 -18.261 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.680 26.585 -17.108 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.202 25.994 -17.905 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.228 26.231 -16.141 1.00 0.00 H new ATOM 513 N GLN A 33 -10.902 29.456 -15.253 1.00 0.00 N ATOM 514 CA GLN A 33 -11.276 30.405 -14.214 1.00 0.00 C ATOM 515 C GLN A 33 -10.877 31.815 -14.671 1.00 0.00 C ATOM 516 O GLN A 33 -11.575 32.780 -14.371 1.00 0.00 O ATOM 517 CB GLN A 33 -10.630 30.005 -12.876 1.00 0.00 C ATOM 518 CG GLN A 33 -11.688 29.588 -11.851 1.00 0.00 C ATOM 519 CD GLN A 33 -11.035 29.093 -10.564 1.00 0.00 C ATOM 520 OE1 GLN A 33 -10.844 29.864 -9.628 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.684 27.809 -10.505 1.00 0.00 N ATOM 0 H GLN A 33 -9.934 29.145 -15.170 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.354 30.397 -14.051 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.933 29.183 -13.038 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.051 30.841 -12.485 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.340 30.434 -11.631 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.316 28.802 -12.270 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.857 27.196 -11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.242 27.439 -9.663 1.00 0.00 H new ATOM 530 N GLY A 34 -9.768 31.914 -15.414 1.00 0.00 N ATOM 531 CA GLY A 34 -9.229 33.132 -15.995 1.00 0.00 C ATOM 532 C GLY A 34 -7.766 33.403 -15.642 1.00 0.00 C ATOM 533 O GLY A 34 -7.302 34.506 -15.921 1.00 0.00 O ATOM 0 H GLY A 34 -9.198 31.097 -15.633 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.325 33.077 -17.079 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.833 33.977 -15.664 1.00 0.00 H new ATOM 537 N ASP A 35 -7.032 32.450 -15.038 1.00 0.00 N ATOM 538 CA ASP A 35 -5.635 32.700 -14.650 1.00 0.00 C ATOM 539 C ASP A 35 -4.588 32.248 -15.681 1.00 0.00 C ATOM 540 O ASP A 35 -3.711 31.434 -15.394 1.00 0.00 O ATOM 541 CB ASP A 35 -5.335 32.215 -13.220 1.00 0.00 C ATOM 542 CG ASP A 35 -4.132 32.954 -12.618 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.293 33.446 -13.407 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.046 33.005 -11.369 1.00 0.00 O ATOM 0 H ASP A 35 -7.377 31.517 -14.812 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.532 33.785 -14.642 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.211 32.370 -12.590 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.137 31.143 -13.232 1.00 0.00 H new ATOM 549 N TYR A 36 -4.662 32.821 -16.884 1.00 0.00 N ATOM 550 CA TYR A 36 -3.746 32.627 -18.004 1.00 0.00 C ATOM 551 C TYR A 36 -2.287 32.766 -17.584 1.00 0.00 C ATOM 552 O TYR A 36 -1.434 32.020 -18.062 1.00 0.00 O ATOM 553 CB TYR A 36 -4.118 33.565 -19.161 1.00 0.00 C ATOM 554 CG TYR A 36 -4.627 34.930 -18.741 1.00 0.00 C ATOM 555 CD1 TYR A 36 -3.730 35.949 -18.373 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.014 35.176 -18.711 1.00 0.00 C ATOM 557 CE1 TYR A 36 -4.220 37.204 -17.974 1.00 0.00 C ATOM 558 CE2 TYR A 36 -6.503 36.429 -18.313 1.00 0.00 C ATOM 559 CZ TYR A 36 -5.605 37.445 -17.942 1.00 0.00 C ATOM 560 OH TYR A 36 -6.074 38.665 -17.552 1.00 0.00 O ATOM 0 H TYR A 36 -5.411 33.474 -17.114 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.853 31.602 -18.359 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.242 33.700 -19.795 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.881 33.081 -19.770 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.666 35.767 -18.397 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.704 34.396 -18.996 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.531 37.986 -17.691 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.567 36.613 -18.292 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.053 38.665 -17.587 1.00 0.00 H new ATOM 570 N GLU A 37 -2.008 33.703 -16.679 1.00 0.00 N ATOM 571 CA GLU A 37 -0.666 33.934 -16.168 1.00 0.00 C ATOM 572 C GLU A 37 -0.141 32.676 -15.490 1.00 0.00 C ATOM 573 O GLU A 37 0.997 32.266 -15.719 1.00 0.00 O ATOM 574 CB GLU A 37 -0.599 35.158 -15.249 1.00 0.00 C ATOM 575 CG GLU A 37 -0.867 36.456 -16.023 1.00 0.00 C ATOM 576 CD GLU A 37 -0.067 37.619 -15.451 1.00 0.00 C ATOM 577 OE1 GLU A 37 1.158 37.635 -15.717 1.00 0.00 O ATOM 578 OE2 GLU A 37 -0.676 38.460 -14.759 1.00 0.00 O ATOM 0 H GLU A 37 -2.713 34.324 -16.281 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.016 34.161 -17.013 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.330 35.053 -14.447 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.383 35.209 -14.780 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.608 36.316 -17.073 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.931 36.691 -15.986 1.00 0.00 H new ATOM 585 N LYS A 38 -0.993 32.050 -14.680 1.00 0.00 N ATOM 586 CA LYS A 38 -0.631 30.805 -14.021 1.00 0.00 C ATOM 587 C LYS A 38 -0.475 29.711 -15.065 1.00 0.00 C ATOM 588 O LYS A 38 0.423 28.886 -14.941 1.00 0.00 O ATOM 589 CB LYS A 38 -1.632 30.400 -12.937 1.00 0.00 C ATOM 590 CG LYS A 38 -1.576 31.306 -11.710 1.00 0.00 C ATOM 591 CD LYS A 38 -0.326 31.141 -10.842 1.00 0.00 C ATOM 592 CE LYS A 38 -0.551 31.834 -9.489 1.00 0.00 C ATOM 593 NZ LYS A 38 -1.148 33.180 -9.638 1.00 0.00 N ATOM 0 H LYS A 38 -1.933 32.385 -14.468 1.00 0.00 H new ATOM 0 HA LYS A 38 0.319 30.957 -13.509 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.639 30.422 -13.353 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.435 29.372 -12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.637 32.343 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.455 31.115 -11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.112 30.083 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.539 31.573 -11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.203 31.216 -8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.400 31.917 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.033 33.711 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.670 33.688 -10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.160 33.088 -9.858 1.00 0.00 H new ATOM 607 N GLY A 39 -1.314 29.712 -16.108 1.00 0.00 N ATOM 608 CA GLY A 39 -1.185 28.730 -17.171 1.00 0.00 C ATOM 609 C GLY A 39 0.175 28.835 -17.833 1.00 0.00 C ATOM 610 O GLY A 39 0.747 27.815 -18.186 1.00 0.00 O ATOM 0 H GLY A 39 -2.078 30.377 -16.231 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.322 27.727 -16.766 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.969 28.884 -17.912 1.00 0.00 H new ATOM 614 N VAL A 40 0.707 30.048 -18.008 1.00 0.00 N ATOM 615 CA VAL A 40 2.010 30.201 -18.641 1.00 0.00 C ATOM 616 C VAL A 40 3.088 29.536 -17.781 1.00 0.00 C ATOM 617 O VAL A 40 3.910 28.783 -18.298 1.00 0.00 O ATOM 618 CB VAL A 40 2.326 31.685 -18.937 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.786 31.858 -19.364 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.416 32.267 -20.037 1.00 0.00 C ATOM 0 H VAL A 40 0.262 30.921 -17.725 1.00 0.00 H new ATOM 0 HA VAL A 40 1.993 29.696 -19.607 1.00 0.00 H new ATOM 0 HB VAL A 40 2.142 32.228 -18.010 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.984 32.911 -19.567 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.442 31.513 -18.565 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.973 31.274 -20.265 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.676 33.311 -20.209 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.553 31.702 -20.959 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.375 32.200 -19.721 1.00 0.00 H new ATOM 630 N ASP A 41 3.084 29.816 -16.477 1.00 0.00 N ATOM 631 CA ASP A 41 4.060 29.279 -15.534 1.00 0.00 C ATOM 632 C ASP A 41 3.957 27.761 -15.437 1.00 0.00 C ATOM 633 O ASP A 41 4.941 27.040 -15.585 1.00 0.00 O ATOM 634 CB ASP A 41 3.879 29.929 -14.152 1.00 0.00 C ATOM 635 CG ASP A 41 4.769 29.274 -13.101 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.998 29.255 -13.324 1.00 0.00 O ATOM 637 OD2 ASP A 41 4.198 28.793 -12.099 1.00 0.00 O ATOM 0 H ASP A 41 2.394 30.429 -16.043 1.00 0.00 H new ATOM 0 HA ASP A 41 5.057 29.519 -15.903 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.113 30.992 -14.216 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.836 29.850 -13.846 1.00 0.00 H new ATOM 642 N HIS A 42 2.746 27.281 -15.183 1.00 0.00 N ATOM 643 CA HIS A 42 2.448 25.871 -15.034 1.00 0.00 C ATOM 644 C HIS A 42 2.748 25.133 -16.321 1.00 0.00 C ATOM 645 O HIS A 42 3.291 24.033 -16.284 1.00 0.00 O ATOM 646 CB HIS A 42 0.996 25.662 -14.594 1.00 0.00 C ATOM 647 CG HIS A 42 0.812 25.886 -13.119 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.563 25.217 -12.164 1.00 0.00 N ATOM 649 CD2 HIS A 42 -0.033 26.702 -12.411 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.152 25.652 -10.962 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.176 26.561 -11.042 1.00 0.00 N ATOM 0 H HIS A 42 1.928 27.880 -15.073 1.00 0.00 H new ATOM 0 HA HIS A 42 3.087 25.461 -14.252 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.349 26.343 -15.147 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.683 24.649 -14.848 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.291 24.525 -12.341 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.762 27.364 -12.855 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.567 25.303 -10.028 1.00 0.00 H new ATOM 659 N LEU A 43 2.421 25.726 -17.471 1.00 0.00 N ATOM 660 CA LEU A 43 2.720 25.034 -18.707 1.00 0.00 C ATOM 661 C LEU A 43 4.240 24.999 -18.832 1.00 0.00 C ATOM 662 O LEU A 43 4.785 23.947 -19.140 1.00 0.00 O ATOM 663 CB LEU A 43 1.999 25.635 -19.921 1.00 0.00 C ATOM 664 CG LEU A 43 1.724 24.557 -20.979 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.425 23.794 -20.669 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.529 25.219 -22.345 1.00 0.00 C ATOM 0 H LEU A 43 1.972 26.637 -17.565 1.00 0.00 H new ATOM 0 HA LEU A 43 2.335 24.015 -18.684 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.060 26.088 -19.604 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.607 26.430 -20.354 1.00 0.00 H new ATOM 0 HG LEU A 43 2.573 23.873 -20.977 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.256 23.037 -21.435 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.510 23.312 -19.695 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.413 24.491 -20.657 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.334 24.453 -23.096 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.684 25.906 -22.299 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.430 25.770 -22.614 1.00 0.00 H new ATOM 678 N THR A 44 4.932 26.115 -18.552 1.00 0.00 N ATOM 679 CA THR A 44 6.395 26.142 -18.612 1.00 0.00 C ATOM 680 C THR A 44 6.985 25.005 -17.760 1.00 0.00 C ATOM 681 O THR A 44 7.972 24.364 -18.126 1.00 0.00 O ATOM 682 CB THR A 44 6.966 27.511 -18.209 1.00 0.00 C ATOM 683 OG1 THR A 44 6.528 28.493 -19.123 1.00 0.00 O ATOM 684 CG2 THR A 44 8.498 27.505 -18.253 1.00 0.00 C ATOM 0 H THR A 44 4.503 27.001 -18.285 1.00 0.00 H new ATOM 0 HA THR A 44 6.690 25.981 -19.649 1.00 0.00 H new ATOM 0 HB THR A 44 6.623 27.725 -17.197 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.587 28.704 -18.950 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.874 28.486 -17.963 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.879 26.752 -17.563 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.832 27.272 -19.264 1.00 0.00 H new ATOM 692 N ASN A 45 6.351 24.747 -16.614 1.00 0.00 N ATOM 693 CA ASN A 45 6.768 23.698 -15.692 1.00 0.00 C ATOM 694 C ASN A 45 6.502 22.325 -16.316 1.00 0.00 C ATOM 695 O ASN A 45 7.344 21.424 -16.230 1.00 0.00 O ATOM 696 CB ASN A 45 6.124 23.865 -14.311 1.00 0.00 C ATOM 697 CG ASN A 45 6.909 24.819 -13.413 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.755 24.384 -12.636 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.644 26.121 -13.508 1.00 0.00 N ATOM 0 H ASN A 45 5.530 25.265 -16.301 1.00 0.00 H new ATOM 0 HA ASN A 45 7.842 23.781 -15.522 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.107 24.238 -14.430 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.052 22.891 -13.827 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.150 26.788 -12.925 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.935 26.451 -14.163 1.00 0.00 H new ATOM 706 N ALA A 46 5.351 22.173 -16.985 1.00 0.00 N ATOM 707 CA ALA A 46 5.006 20.939 -17.664 1.00 0.00 C ATOM 708 C ALA A 46 6.144 20.616 -18.654 1.00 0.00 C ATOM 709 O ALA A 46 6.614 19.481 -18.727 1.00 0.00 O ATOM 710 CB ALA A 46 3.585 21.036 -18.247 1.00 0.00 C ATOM 0 H ALA A 46 4.644 22.904 -17.064 1.00 0.00 H new ATOM 0 HA ALA A 46 4.942 20.083 -16.993 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.336 20.104 -18.755 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.872 21.212 -17.441 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.539 21.860 -18.958 1.00 0.00 H new ATOM 716 N ILE A 47 6.642 21.632 -19.377 1.00 0.00 N ATOM 717 CA ILE A 47 7.779 21.473 -20.287 1.00 0.00 C ATOM 718 C ILE A 47 9.052 21.104 -19.529 1.00 0.00 C ATOM 719 O ILE A 47 9.872 20.344 -20.040 1.00 0.00 O ATOM 720 CB ILE A 47 8.044 22.730 -21.157 1.00 0.00 C ATOM 721 CG1 ILE A 47 6.996 22.926 -22.277 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.463 22.739 -21.757 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.718 23.570 -21.752 1.00 0.00 C ATOM 0 H ILE A 47 6.268 22.580 -19.345 1.00 0.00 H new ATOM 0 HA ILE A 47 7.504 20.658 -20.957 1.00 0.00 H new ATOM 0 HB ILE A 47 7.954 23.572 -20.470 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.419 23.549 -23.065 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.759 21.961 -22.725 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.599 23.639 -22.357 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.198 22.725 -20.952 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.597 21.859 -22.387 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.008 23.690 -22.570 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.280 22.935 -20.982 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.951 24.547 -21.327 1.00 0.00 H new ATOM 735 N ALA A 48 9.233 21.659 -18.332 1.00 0.00 N ATOM 736 CA ALA A 48 10.427 21.444 -17.524 1.00 0.00 C ATOM 737 C ALA A 48 10.560 19.993 -17.111 1.00 0.00 C ATOM 738 O ALA A 48 11.677 19.514 -16.931 1.00 0.00 O ATOM 739 CB ALA A 48 10.485 22.369 -16.308 1.00 0.00 C ATOM 0 H ALA A 48 8.548 22.275 -17.894 1.00 0.00 H new ATOM 0 HA ALA A 48 11.279 21.697 -18.155 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.394 22.168 -15.741 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.487 23.407 -16.640 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.615 22.193 -15.675 1.00 0.00 H new ATOM 745 N VAL A 49 9.428 19.297 -16.984 1.00 0.00 N ATOM 746 CA VAL A 49 9.446 17.899 -16.605 1.00 0.00 C ATOM 747 C VAL A 49 9.296 16.998 -17.826 1.00 0.00 C ATOM 748 O VAL A 49 9.660 15.826 -17.755 1.00 0.00 O ATOM 749 CB VAL A 49 8.374 17.631 -15.550 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.548 18.606 -14.385 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.936 17.718 -16.066 1.00 0.00 C ATOM 0 H VAL A 49 8.497 19.684 -17.139 1.00 0.00 H new ATOM 0 HA VAL A 49 10.413 17.662 -16.162 1.00 0.00 H new ATOM 0 HB VAL A 49 8.522 16.598 -15.234 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.783 18.414 -13.633 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.535 18.471 -13.942 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.451 19.629 -14.749 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.243 17.514 -15.249 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.750 18.718 -16.458 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.789 16.984 -16.859 1.00 0.00 H new ATOM 761 N CYS A 50 8.783 17.528 -18.945 1.00 0.00 N ATOM 762 CA CYS A 50 8.638 16.719 -20.151 1.00 0.00 C ATOM 763 C CYS A 50 9.958 16.672 -20.921 1.00 0.00 C ATOM 764 O CYS A 50 10.416 15.596 -21.301 1.00 0.00 O ATOM 765 CB CYS A 50 7.491 17.244 -21.008 1.00 0.00 C ATOM 766 SG CYS A 50 7.350 16.285 -22.541 1.00 0.00 S ATOM 0 H CYS A 50 8.469 18.494 -19.035 1.00 0.00 H new ATOM 0 HA CYS A 50 8.390 15.696 -19.869 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.557 17.187 -20.450 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.658 18.295 -21.244 1.00 0.00 H new ATOM 0 HG CYS A 50 6.366 16.748 -23.254 1.00 0.00 H new ATOM 772 N GLY A 51 10.571 17.836 -21.158 1.00 0.00 N ATOM 773 CA GLY A 51 11.833 17.937 -21.880 1.00 0.00 C ATOM 774 C GLY A 51 11.637 17.769 -23.387 1.00 0.00 C ATOM 775 O GLY A 51 12.544 17.332 -24.092 1.00 0.00 O ATOM 0 H GLY A 51 10.200 18.735 -20.851 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.291 18.905 -21.678 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.523 17.176 -21.516 1.00 0.00 H new ATOM 779 N GLN A 52 10.447 18.129 -23.875 1.00 0.00 N ATOM 780 CA GLN A 52 10.062 18.067 -25.279 1.00 0.00 C ATOM 781 C GLN A 52 9.038 19.189 -25.478 1.00 0.00 C ATOM 782 O GLN A 52 7.866 18.915 -25.742 1.00 0.00 O ATOM 783 CB GLN A 52 9.555 16.651 -25.632 1.00 0.00 C ATOM 784 CG GLN A 52 10.287 16.064 -26.852 1.00 0.00 C ATOM 785 CD GLN A 52 10.147 16.883 -28.138 1.00 0.00 C ATOM 786 OE1 GLN A 52 9.579 17.971 -28.151 1.00 0.00 O ATOM 787 NE2 GLN A 52 10.681 16.359 -29.242 1.00 0.00 N ATOM 0 H GLN A 52 9.701 18.484 -23.277 1.00 0.00 H new ATOM 0 HA GLN A 52 10.893 18.228 -25.966 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.693 15.992 -24.775 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.485 16.689 -25.835 1.00 0.00 H new ATOM 0 HG2 GLN A 52 11.346 15.969 -26.612 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.910 15.058 -27.035 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.147 15.453 -29.202 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.623 16.865 -30.126 1.00 0.00 H new ATOM 796 N PRO A 53 9.454 20.466 -25.336 1.00 0.00 N ATOM 797 CA PRO A 53 8.551 21.589 -25.486 1.00 0.00 C ATOM 798 C PRO A 53 7.745 21.529 -26.770 1.00 0.00 C ATOM 799 O PRO A 53 6.526 21.576 -26.725 1.00 0.00 O ATOM 800 CB PRO A 53 9.409 22.861 -25.451 1.00 0.00 C ATOM 801 CG PRO A 53 10.841 22.366 -25.630 1.00 0.00 C ATOM 802 CD PRO A 53 10.790 20.972 -25.018 1.00 0.00 C ATOM 0 HA PRO A 53 7.820 21.573 -24.678 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.126 23.552 -26.246 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.289 23.394 -24.508 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.132 22.337 -26.680 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.559 23.007 -25.118 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.565 20.329 -25.436 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.952 21.008 -23.941 1.00 0.00 H new ATOM 810 N GLN A 54 8.446 21.449 -27.897 1.00 0.00 N ATOM 811 CA GLN A 54 7.887 21.459 -29.242 1.00 0.00 C ATOM 812 C GLN A 54 6.819 20.391 -29.440 1.00 0.00 C ATOM 813 O GLN A 54 5.734 20.706 -29.924 1.00 0.00 O ATOM 814 CB GLN A 54 9.019 21.338 -30.276 1.00 0.00 C ATOM 815 CG GLN A 54 10.127 22.403 -30.137 1.00 0.00 C ATOM 816 CD GLN A 54 11.182 22.275 -31.235 1.00 0.00 C ATOM 817 OE1 GLN A 54 11.163 21.336 -32.027 1.00 0.00 O ATOM 818 NE2 GLN A 54 12.120 23.221 -31.285 1.00 0.00 N ATOM 0 H GLN A 54 9.463 21.372 -27.896 1.00 0.00 H new ATOM 0 HA GLN A 54 7.380 22.412 -29.389 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.470 20.349 -30.189 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.590 21.406 -31.276 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.682 23.397 -30.176 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.604 22.305 -29.162 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.107 23.988 -30.612 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.850 23.178 -31.996 1.00 0.00 H new ATOM 827 N GLN A 55 7.111 19.144 -29.059 1.00 0.00 N ATOM 828 CA GLN A 55 6.137 18.067 -29.190 1.00 0.00 C ATOM 829 C GLN A 55 4.870 18.455 -28.442 1.00 0.00 C ATOM 830 O GLN A 55 3.771 18.356 -28.981 1.00 0.00 O ATOM 831 CB GLN A 55 6.709 16.724 -28.701 1.00 0.00 C ATOM 832 CG GLN A 55 5.706 15.564 -28.788 1.00 0.00 C ATOM 833 CD GLN A 55 5.227 15.298 -30.213 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.038 15.398 -30.503 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.150 14.951 -31.110 1.00 0.00 N ATOM 0 H GLN A 55 8.007 18.861 -28.661 1.00 0.00 H new ATOM 0 HA GLN A 55 5.895 17.925 -30.243 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.591 16.477 -29.292 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.038 16.833 -27.668 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.168 14.660 -28.391 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.846 15.786 -28.156 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.129 14.878 -30.832 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.877 14.759 -32.074 1.00 0.00 H new ATOM 844 N LEU A 56 5.039 18.916 -27.202 1.00 0.00 N ATOM 845 CA LEU A 56 3.916 19.334 -26.391 1.00 0.00 C ATOM 846 C LEU A 56 3.188 20.523 -27.021 1.00 0.00 C ATOM 847 O LEU A 56 1.964 20.537 -27.051 1.00 0.00 O ATOM 848 CB LEU A 56 4.335 19.601 -24.936 1.00 0.00 C ATOM 849 CG LEU A 56 3.138 19.858 -24.003 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.260 18.607 -23.792 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.687 20.364 -22.668 1.00 0.00 C ATOM 0 H LEU A 56 5.947 19.006 -26.745 1.00 0.00 H new ATOM 0 HA LEU A 56 3.203 18.510 -26.359 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.902 18.747 -24.564 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.002 20.463 -24.908 1.00 0.00 H new ATOM 0 HG LEU A 56 2.487 20.600 -24.466 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.433 18.851 -23.125 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.866 18.273 -24.752 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.860 17.812 -23.350 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.860 20.556 -21.984 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.347 19.611 -22.237 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.245 21.286 -22.830 1.00 0.00 H new ATOM 863 N LEU A 57 3.899 21.528 -27.541 1.00 0.00 N ATOM 864 CA LEU A 57 3.224 22.674 -28.148 1.00 0.00 C ATOM 865 C LEU A 57 2.394 22.206 -29.345 1.00 0.00 C ATOM 866 O LEU A 57 1.292 22.708 -29.567 1.00 0.00 O ATOM 867 CB LEU A 57 4.173 23.841 -28.478 1.00 0.00 C ATOM 868 CG LEU A 57 5.117 24.313 -27.346 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.589 25.751 -27.579 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.545 24.214 -25.922 1.00 0.00 C ATOM 0 H LEU A 57 4.918 21.571 -27.554 1.00 0.00 H new ATOM 0 HA LEU A 57 2.543 23.096 -27.409 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.785 23.550 -29.332 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.569 24.692 -28.794 1.00 0.00 H new ATOM 0 HG LEU A 57 5.948 23.610 -27.398 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.250 26.053 -26.767 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.127 25.809 -28.525 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.726 26.416 -27.611 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.287 24.569 -25.207 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.646 24.826 -25.848 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.296 23.176 -25.701 1.00 0.00 H new ATOM 882 N GLN A 58 2.894 21.214 -30.092 1.00 0.00 N ATOM 883 CA GLN A 58 2.155 20.657 -31.211 1.00 0.00 C ATOM 884 C GLN A 58 0.901 19.961 -30.670 1.00 0.00 C ATOM 885 O GLN A 58 -0.194 20.155 -31.194 1.00 0.00 O ATOM 886 CB GLN A 58 3.043 19.700 -32.030 1.00 0.00 C ATOM 887 CG GLN A 58 2.672 19.735 -33.519 1.00 0.00 C ATOM 888 CD GLN A 58 3.005 21.074 -34.182 1.00 0.00 C ATOM 889 OE1 GLN A 58 3.872 21.810 -33.720 1.00 0.00 O ATOM 890 NE2 GLN A 58 2.309 21.404 -35.269 1.00 0.00 N ATOM 0 H GLN A 58 3.807 20.787 -29.935 1.00 0.00 H new ATOM 0 HA GLN A 58 1.848 21.451 -31.891 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.090 19.977 -31.907 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.935 18.684 -31.649 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.200 18.936 -34.039 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.606 19.536 -33.628 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.595 20.771 -35.629 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.490 22.290 -35.741 1.00 0.00 H new ATOM 899 N VAL A 59 1.067 19.166 -29.605 1.00 0.00 N ATOM 900 CA VAL A 59 -0.012 18.432 -28.953 1.00 0.00 C ATOM 901 C VAL A 59 -1.094 19.370 -28.417 1.00 0.00 C ATOM 902 O VAL A 59 -2.277 19.047 -28.482 1.00 0.00 O ATOM 903 CB VAL A 59 0.530 17.416 -27.923 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.376 17.717 -26.418 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.104 16.073 -28.161 1.00 0.00 C ATOM 0 H VAL A 59 1.976 19.016 -29.168 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.517 17.826 -29.705 1.00 0.00 H new ATOM 0 HB VAL A 59 1.603 17.465 -28.108 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.810 16.902 -25.838 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.891 18.647 -26.178 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.682 17.814 -26.173 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.278 15.356 -27.434 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.185 16.157 -28.053 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.135 15.731 -29.168 1.00 0.00 H new ATOM 915 N LEU A 60 -0.693 20.550 -27.939 1.00 0.00 N ATOM 916 CA LEU A 60 -1.601 21.552 -27.394 1.00 0.00 C ATOM 917 C LEU A 60 -2.286 22.288 -28.541 1.00 0.00 C ATOM 918 O LEU A 60 -3.439 22.678 -28.392 1.00 0.00 O ATOM 919 CB LEU A 60 -0.777 22.610 -26.629 1.00 0.00 C ATOM 920 CG LEU A 60 -0.514 22.405 -25.129 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.636 23.052 -24.307 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.397 20.949 -24.681 1.00 0.00 C ATOM 0 H LEU A 60 0.286 20.837 -27.921 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.327 21.059 -26.747 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.190 22.696 -27.124 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.282 23.569 -26.747 1.00 0.00 H new ATOM 0 HG LEU A 60 0.456 22.872 -24.956 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.442 22.902 -23.245 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.675 24.120 -24.522 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.590 22.594 -24.570 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.212 20.912 -23.607 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.324 20.423 -24.907 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.429 20.471 -25.208 1.00 0.00 H new ATOM 934 N GLN A 61 -1.605 22.472 -29.677 1.00 0.00 N ATOM 935 CA GLN A 61 -2.168 23.167 -30.833 1.00 0.00 C ATOM 936 C GLN A 61 -3.119 22.250 -31.613 1.00 0.00 C ATOM 937 O GLN A 61 -3.925 22.724 -32.410 1.00 0.00 O ATOM 938 CB GLN A 61 -1.020 23.718 -31.707 1.00 0.00 C ATOM 939 CG GLN A 61 -1.440 24.416 -33.014 1.00 0.00 C ATOM 940 CD GLN A 61 -0.267 25.175 -33.634 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.272 24.764 -34.658 1.00 0.00 O ATOM 942 NE2 GLN A 61 0.133 26.289 -33.020 1.00 0.00 N ATOM 0 H GLN A 61 -0.650 22.143 -29.818 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.768 24.013 -30.498 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.443 24.425 -31.110 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.353 22.893 -31.957 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.813 23.676 -33.722 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.259 25.107 -32.814 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.338 26.601 -32.171 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.910 26.830 -33.400 1.00 0.00 H new ATOM 951 N GLN A 62 -3.012 20.939 -31.379 1.00 0.00 N ATOM 952 CA GLN A 62 -3.780 19.890 -32.022 1.00 0.00 C ATOM 953 C GLN A 62 -5.074 19.579 -31.268 1.00 0.00 C ATOM 954 O GLN A 62 -6.077 19.267 -31.907 1.00 0.00 O ATOM 955 CB GLN A 62 -2.855 18.670 -32.147 1.00 0.00 C ATOM 956 CG GLN A 62 -3.544 17.341 -32.458 1.00 0.00 C ATOM 957 CD GLN A 62 -4.259 17.319 -33.807 1.00 0.00 C ATOM 958 OE1 GLN A 62 -4.035 18.174 -34.659 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.121 16.324 -34.016 1.00 0.00 N ATOM 0 H GLN A 62 -2.349 20.570 -30.697 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.111 20.207 -33.011 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.124 18.871 -32.930 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.301 18.561 -31.215 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.801 16.544 -32.438 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.266 17.124 -31.671 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.285 15.629 -33.287 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.617 16.257 -34.905 1.00 0.00 H new ATOM 968 N THR A 63 -5.081 19.654 -29.929 1.00 0.00 N ATOM 969 CA THR A 63 -6.292 19.341 -29.178 1.00 0.00 C ATOM 970 C THR A 63 -7.273 20.512 -29.190 1.00 0.00 C ATOM 971 O THR A 63 -8.478 20.299 -29.337 1.00 0.00 O ATOM 972 CB THR A 63 -5.986 18.758 -27.793 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.182 18.351 -27.154 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.207 19.680 -26.865 1.00 0.00 C ATOM 0 H THR A 63 -4.278 19.923 -29.360 1.00 0.00 H new ATOM 0 HA THR A 63 -6.813 18.532 -29.690 1.00 0.00 H new ATOM 0 HB THR A 63 -5.335 17.905 -27.986 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.972 17.980 -26.272 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.040 19.179 -25.911 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.247 19.927 -27.319 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.776 20.595 -26.700 1.00 0.00 H new ATOM 982 N LEU A 64 -6.776 21.745 -29.067 1.00 0.00 N ATOM 983 CA LEU A 64 -7.622 22.942 -29.108 1.00 0.00 C ATOM 984 C LEU A 64 -6.780 24.194 -29.363 1.00 0.00 C ATOM 985 O LEU A 64 -5.626 24.214 -28.953 1.00 0.00 O ATOM 986 CB LEU A 64 -8.493 23.067 -27.834 1.00 0.00 C ATOM 987 CG LEU A 64 -7.883 23.823 -26.638 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.967 24.016 -25.570 1.00 0.00 C ATOM 989 CD2 LEU A 64 -6.714 23.065 -26.004 1.00 0.00 C ATOM 0 H LEU A 64 -5.784 21.942 -28.937 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.313 22.841 -29.945 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.424 23.563 -28.108 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.753 22.062 -27.502 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.507 24.777 -27.009 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.547 24.550 -24.718 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.792 24.592 -25.989 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.333 23.043 -25.243 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.319 23.640 -25.166 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.060 22.095 -25.648 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.929 22.920 -26.746 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.314 25.247 -30.013 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.574 26.480 -30.260 1.00 0.00 C ATOM 1003 C PRO A 65 -6.230 27.117 -28.905 1.00 0.00 C ATOM 1004 O PRO A 65 -7.146 27.526 -28.195 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.505 27.361 -31.104 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.903 26.837 -30.781 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.665 25.347 -30.540 1.00 0.00 C ATOM 0 HA PRO A 65 -5.634 26.328 -30.790 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.403 28.414 -30.843 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.282 27.274 -32.167 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.324 27.326 -29.902 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.598 27.007 -31.604 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.392 24.943 -29.835 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.768 24.779 -31.465 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.946 27.184 -28.507 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.520 27.705 -27.221 1.00 0.00 C ATOM 1017 C PRO A 66 -4.072 29.174 -27.307 1.00 0.00 C ATOM 1018 O PRO A 66 -2.915 29.435 -27.631 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.374 26.760 -26.856 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.678 26.492 -28.197 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.781 26.703 -29.238 1.00 0.00 C ATOM 0 HA PRO A 66 -5.313 27.728 -26.474 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.694 27.216 -26.136 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.743 25.839 -26.406 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.843 27.175 -28.356 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.275 25.480 -28.242 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.470 27.425 -29.993 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.006 25.773 -29.760 1.00 0.00 H new ATOM 1029 N PRO A 67 -4.933 30.165 -27.005 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.535 31.568 -27.034 1.00 0.00 C ATOM 1031 C PRO A 67 -3.496 31.842 -25.941 1.00 0.00 C ATOM 1032 O PRO A 67 -2.601 32.664 -26.119 1.00 0.00 O ATOM 1033 CB PRO A 67 -5.820 32.368 -26.811 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.699 31.410 -26.011 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.323 30.046 -26.591 1.00 0.00 C ATOM 0 HA PRO A 67 -4.068 31.848 -27.978 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.629 33.291 -26.263 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.287 32.649 -27.755 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.492 31.467 -24.942 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.759 31.628 -26.142 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.444 29.258 -25.848 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.963 29.790 -27.435 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.609 31.138 -24.811 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.701 31.256 -23.680 1.00 0.00 C ATOM 1045 C VAL A 68 -1.271 30.982 -24.124 1.00 0.00 C ATOM 1046 O VAL A 68 -0.373 31.752 -23.804 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.122 30.307 -22.553 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -2.011 30.251 -21.501 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.434 30.820 -21.952 1.00 0.00 C ATOM 0 H VAL A 68 -4.353 30.457 -24.660 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.748 32.274 -23.294 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.280 29.297 -22.932 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.305 29.577 -20.697 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.092 29.887 -21.961 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.843 31.249 -21.095 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.750 30.156 -21.147 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.285 31.825 -21.556 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.203 30.845 -22.724 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.073 29.889 -24.865 1.00 0.00 N ATOM 1060 CA PHE A 69 0.227 29.497 -25.413 1.00 0.00 C ATOM 1061 C PHE A 69 0.894 30.703 -26.080 1.00 0.00 C ATOM 1062 O PHE A 69 2.081 30.958 -25.876 1.00 0.00 O ATOM 1063 CB PHE A 69 0.066 28.302 -26.367 1.00 0.00 C ATOM 1064 CG PHE A 69 0.861 28.348 -27.659 1.00 0.00 C ATOM 1065 CD1 PHE A 69 0.302 28.969 -28.791 1.00 0.00 C ATOM 1066 CD2 PHE A 69 2.144 27.777 -27.738 1.00 0.00 C ATOM 1067 CE1 PHE A 69 1.015 29.025 -29.999 1.00 0.00 C ATOM 1068 CE2 PHE A 69 2.858 27.835 -28.952 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.296 28.457 -30.079 1.00 0.00 C ATOM 0 H PHE A 69 -1.824 29.241 -25.105 1.00 0.00 H new ATOM 0 HA PHE A 69 0.884 29.169 -24.608 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.345 27.397 -25.828 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.990 28.209 -26.621 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.684 29.406 -28.730 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.579 27.297 -26.874 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.579 29.503 -30.864 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.844 27.398 -29.016 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.849 28.498 -31.006 1.00 0.00 H new ATOM 1079 N GLN A 70 0.112 31.458 -26.859 1.00 0.00 N ATOM 1080 CA GLN A 70 0.613 32.646 -27.537 1.00 0.00 C ATOM 1081 C GLN A 70 1.195 33.612 -26.505 1.00 0.00 C ATOM 1082 O GLN A 70 2.299 34.113 -26.683 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.486 33.325 -28.368 1.00 0.00 C ATOM 1084 CG GLN A 70 0.106 34.359 -29.334 1.00 0.00 C ATOM 1085 CD GLN A 70 -0.981 35.206 -29.991 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -0.935 36.431 -29.936 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -1.968 34.564 -30.614 1.00 0.00 N ATOM 0 H GLN A 70 -0.874 31.262 -27.033 1.00 0.00 H new ATOM 0 HA GLN A 70 1.399 32.347 -28.231 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.037 32.572 -28.931 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.200 33.812 -27.703 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.796 35.008 -28.794 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.684 33.848 -30.104 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.976 33.544 -30.641 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.716 35.092 -31.064 1.00 0.00 H new ATOM 1096 N MET A 71 0.458 33.855 -25.419 1.00 0.00 N ATOM 1097 CA MET A 71 0.863 34.737 -24.334 1.00 0.00 C ATOM 1098 C MET A 71 2.019 34.113 -23.552 1.00 0.00 C ATOM 1099 O MET A 71 2.835 34.843 -23.002 1.00 0.00 O ATOM 1100 CB MET A 71 -0.328 35.100 -23.433 1.00 0.00 C ATOM 1101 CG MET A 71 -1.549 35.619 -24.213 1.00 0.00 C ATOM 1102 SD MET A 71 -2.666 36.697 -23.278 1.00 0.00 S ATOM 1103 CE MET A 71 -3.146 35.578 -21.942 1.00 0.00 C ATOM 0 H MET A 71 -0.458 33.431 -25.271 1.00 0.00 H new ATOM 0 HA MET A 71 1.221 35.675 -24.759 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.620 34.221 -22.858 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.014 35.859 -22.717 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.195 36.163 -25.089 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.117 34.763 -24.577 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.942 36.035 -21.353 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.501 34.638 -22.365 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.285 35.386 -21.301 1.00 0.00 H new ATOM 1113 N LEU A 72 2.158 32.783 -23.532 1.00 0.00 N ATOM 1114 CA LEU A 72 3.315 32.142 -22.929 1.00 0.00 C ATOM 1115 C LEU A 72 4.511 32.644 -23.737 1.00 0.00 C ATOM 1116 O LEU A 72 5.569 32.905 -23.174 1.00 0.00 O ATOM 1117 CB LEU A 72 3.152 30.604 -22.893 1.00 0.00 C ATOM 1118 CG LEU A 72 4.384 29.761 -23.265 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.433 29.758 -22.148 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.950 28.311 -23.513 1.00 0.00 C ATOM 0 H LEU A 72 1.478 32.135 -23.929 1.00 0.00 H new ATOM 0 HA LEU A 72 3.450 32.399 -21.878 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.838 30.320 -21.888 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.340 30.334 -23.568 1.00 0.00 H new ATOM 0 HG LEU A 72 4.825 30.202 -24.159 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.286 29.151 -22.452 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.764 30.779 -21.957 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.997 29.342 -21.240 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.821 27.711 -23.777 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.492 27.909 -22.609 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.228 28.282 -24.329 1.00 0.00 H new ATOM 1132 N LEU A 73 4.322 32.823 -25.051 1.00 0.00 N ATOM 1133 CA LEU A 73 5.398 33.344 -25.886 1.00 0.00 C ATOM 1134 C LEU A 73 5.685 34.818 -25.614 1.00 0.00 C ATOM 1135 O LEU A 73 6.821 35.260 -25.767 1.00 0.00 O ATOM 1136 CB LEU A 73 5.167 33.172 -27.396 1.00 0.00 C ATOM 1137 CG LEU A 73 4.640 31.821 -27.897 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.519 31.917 -29.413 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.529 30.646 -27.481 1.00 0.00 C ATOM 0 H LEU A 73 3.453 32.619 -25.545 1.00 0.00 H new ATOM 0 HA LEU A 73 6.256 32.735 -25.602 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.466 33.943 -27.716 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.112 33.370 -27.903 1.00 0.00 H new ATOM 0 HG LEU A 73 3.670 31.619 -27.442 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.146 30.972 -29.809 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.827 32.718 -29.673 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.498 32.129 -29.843 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.107 29.717 -27.863 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.530 30.785 -27.889 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.584 30.599 -26.393 1.00 0.00 H new ATOM 1151 N THR A 74 4.661 35.581 -25.229 1.00 0.00 N ATOM 1152 CA THR A 74 4.745 36.992 -24.954 1.00 0.00 C ATOM 1153 C THR A 74 5.369 37.230 -23.583 1.00 0.00 C ATOM 1154 O THR A 74 6.012 38.254 -23.362 1.00 0.00 O ATOM 1155 CB THR A 74 3.340 37.600 -25.041 1.00 0.00 C ATOM 1156 OG1 THR A 74 2.515 37.380 -23.922 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.630 37.461 -26.390 1.00 0.00 C ATOM 0 H THR A 74 3.721 35.207 -25.099 1.00 0.00 H new ATOM 0 HA THR A 74 5.385 37.476 -25.692 1.00 0.00 H new ATOM 0 HB THR A 74 3.561 38.666 -24.992 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.740 36.518 -23.514 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.646 37.927 -26.333 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.220 37.952 -27.164 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.518 36.405 -26.635 1.00 0.00 H new ATOM 1165 N LYS A 75 5.170 36.278 -22.667 1.00 0.00 N ATOM 1166 CA LYS A 75 5.676 36.348 -21.310 1.00 0.00 C ATOM 1167 C LYS A 75 7.188 36.113 -21.239 1.00 0.00 C ATOM 1168 O LYS A 75 7.806 36.483 -20.243 1.00 0.00 O ATOM 1169 CB LYS A 75 4.874 35.328 -20.497 1.00 0.00 C ATOM 1170 CG LYS A 75 3.503 35.881 -20.063 1.00 0.00 C ATOM 1171 CD LYS A 75 3.512 36.662 -18.740 1.00 0.00 C ATOM 1172 CE LYS A 75 3.704 35.749 -17.520 1.00 0.00 C ATOM 1173 NZ LYS A 75 3.554 36.497 -16.259 1.00 0.00 N ATOM 0 H LYS A 75 4.643 35.426 -22.859 1.00 0.00 H new ATOM 0 HA LYS A 75 5.544 37.348 -20.897 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.729 34.426 -21.091 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.444 35.040 -19.614 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.124 36.532 -20.850 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.804 35.050 -19.973 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.311 37.403 -18.765 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.574 37.208 -18.637 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.976 34.938 -17.552 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.693 35.292 -17.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.622 35.840 -15.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.307 37.211 -16.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.627 36.968 -16.243 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.442 13.756 -25.287 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.183 13.401 -25.933 1.00 0.00 C ATOM 1590 C LEU B 7 -3.298 12.551 -25.014 1.00 0.00 C ATOM 1591 O LEU B 7 -2.816 11.503 -25.429 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.498 14.675 -26.474 1.00 0.00 C ATOM 1593 CG LEU B 7 -3.114 15.717 -25.403 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -1.661 15.576 -24.955 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -3.274 17.158 -25.867 1.00 0.00 C ATOM 0 HA LEU B 7 -4.379 12.762 -26.794 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.597 14.383 -27.014 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.163 15.148 -27.196 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.806 15.510 -24.586 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.438 16.331 -24.201 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.505 14.583 -24.532 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -1.001 15.713 -25.812 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -2.986 17.834 -25.062 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -2.637 17.334 -26.734 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.314 17.340 -26.138 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.077 12.986 -23.769 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.235 12.276 -22.814 1.00 0.00 C ATOM 1609 C LEU B 8 -2.968 10.958 -22.522 1.00 0.00 C ATOM 1610 O LEU B 8 -4.150 10.966 -22.193 1.00 0.00 O ATOM 1611 CB LEU B 8 -1.972 13.100 -21.549 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.322 14.512 -21.597 1.00 0.00 C ATOM 1613 CD1 LEU B 8 0.026 14.645 -22.326 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.328 15.621 -21.927 1.00 0.00 C ATOM 0 H LEU B 8 -3.482 13.846 -23.398 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.241 12.088 -23.220 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.932 13.214 -21.045 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.343 12.488 -20.902 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.012 14.666 -20.564 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.363 15.681 -22.282 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.764 14.003 -21.846 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.092 14.346 -23.367 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.816 16.583 -21.946 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.775 15.428 -22.902 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.109 15.641 -21.167 1.00 0.00 H new