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+ -175:sc= 0 (180deg=-0.0254) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) 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 38 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.87) USER MOD Single : A 42 HIS : no HE2:sc= 0.603 K(o=0.6,f=-4.5!) USER MOD Single : A 44 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= 0.954 K(o=0.95,f=-0.0032) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0623 USER MOD Single : A 52 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.85) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 55 GLN : amide:sc= -0.779 K(o=-0.78,f=-0.012) USER MOD Single : A 58 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.1) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 62 GLN : amide:sc= -0.945 X(o=-0.94,f=-1) 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 -171:sc= -0.317 (180deg=-0.346) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.34 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.715 7.264 -14.897 1.00 0.00 N ATOM 205 CA GLU A 14 5.309 7.244 -14.545 1.00 0.00 C ATOM 206 C GLU A 14 4.982 8.384 -13.578 1.00 0.00 C ATOM 207 O GLU A 14 3.958 9.046 -13.714 1.00 0.00 O ATOM 208 CB GLU A 14 4.960 5.876 -13.938 1.00 0.00 C ATOM 209 CG GLU A 14 5.324 4.707 -14.872 1.00 0.00 C ATOM 210 CD GLU A 14 6.660 4.048 -14.528 1.00 0.00 C ATOM 211 OE1 GLU A 14 7.692 4.750 -14.615 1.00 0.00 O ATOM 212 OE2 GLU A 14 6.626 2.847 -14.187 1.00 0.00 O ATOM 0 HA GLU A 14 4.705 7.394 -15.440 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.486 5.757 -12.991 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.893 5.842 -13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.535 3.956 -14.827 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.360 5.070 -15.899 1.00 0.00 H new ATOM 219 N ALA A 15 5.864 8.617 -12.602 1.00 0.00 N ATOM 220 CA ALA A 15 5.704 9.671 -11.606 1.00 0.00 C ATOM 221 C ALA A 15 5.864 11.041 -12.258 1.00 0.00 C ATOM 222 O ALA A 15 5.183 12.000 -11.888 1.00 0.00 O ATOM 223 CB ALA A 15 6.733 9.501 -10.486 1.00 0.00 C ATOM 0 H ALA A 15 6.717 8.071 -12.483 1.00 0.00 H new ATOM 0 HA ALA A 15 4.704 9.598 -11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.603 10.294 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.592 8.533 -10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.738 9.555 -10.904 1.00 0.00 H new ATOM 229 N VAL A 16 6.766 11.121 -13.241 1.00 0.00 N ATOM 230 CA VAL A 16 7.014 12.354 -13.977 1.00 0.00 C ATOM 231 C VAL A 16 5.797 12.614 -14.852 1.00 0.00 C ATOM 232 O VAL A 16 5.374 13.759 -14.978 1.00 0.00 O ATOM 233 CB VAL A 16 8.344 12.302 -14.760 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.283 12.742 -16.225 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.464 13.004 -14.011 1.00 0.00 C ATOM 0 H VAL A 16 7.340 10.334 -13.544 1.00 0.00 H new ATOM 0 HA VAL A 16 7.143 13.193 -13.294 1.00 0.00 H new ATOM 0 HB VAL A 16 8.567 11.237 -14.819 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.275 12.663 -16.670 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.589 12.101 -16.769 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.942 13.776 -16.281 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.383 12.946 -14.594 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.198 14.050 -13.855 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.615 12.521 -13.046 1.00 0.00 H new ATOM 245 N GLN A 17 5.222 11.556 -15.438 1.00 0.00 N ATOM 246 CA GLN A 17 4.042 11.686 -16.275 1.00 0.00 C ATOM 247 C GLN A 17 2.878 12.164 -15.420 1.00 0.00 C ATOM 248 O GLN A 17 2.129 13.035 -15.851 1.00 0.00 O ATOM 249 CB GLN A 17 3.708 10.394 -17.039 1.00 0.00 C ATOM 250 CG GLN A 17 2.736 10.694 -18.189 1.00 0.00 C ATOM 251 CD GLN A 17 2.587 9.504 -19.134 1.00 0.00 C ATOM 252 OE1 GLN A 17 3.392 9.340 -20.048 1.00 0.00 O ATOM 253 NE2 GLN A 17 1.555 8.685 -18.935 1.00 0.00 N ATOM 0 H GLN A 17 5.564 10.600 -15.342 1.00 0.00 H new ATOM 0 HA GLN A 17 4.247 12.427 -17.047 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.622 9.949 -17.432 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.265 9.665 -16.360 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.760 10.957 -17.780 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.091 11.559 -18.748 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.909 8.856 -18.164 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.411 7.887 -19.553 1.00 0.00 H new ATOM 262 N LYS A 18 2.741 11.607 -14.209 1.00 0.00 N ATOM 263 CA LYS A 18 1.672 11.985 -13.291 1.00 0.00 C ATOM 264 C LYS A 18 1.733 13.484 -13.001 1.00 0.00 C ATOM 265 O LYS A 18 0.765 14.201 -13.243 1.00 0.00 O ATOM 266 CB LYS A 18 1.738 11.158 -11.996 1.00 0.00 C ATOM 267 CG LYS A 18 1.254 9.709 -12.176 1.00 0.00 C ATOM 268 CD LYS A 18 -0.267 9.527 -12.036 1.00 0.00 C ATOM 269 CE LYS A 18 -0.812 9.719 -10.610 1.00 0.00 C ATOM 270 NZ LYS A 18 -0.309 8.701 -9.667 1.00 0.00 N ATOM 0 H LYS A 18 3.366 10.888 -13.845 1.00 0.00 H new ATOM 0 HA LYS A 18 0.714 11.769 -13.764 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.765 11.148 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.132 11.644 -11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.561 9.355 -13.160 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.753 9.078 -11.441 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.766 10.234 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.532 8.527 -12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.536 10.710 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.901 9.680 -10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.771 8.825 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.520 7.752 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.720 8.808 -9.556 1.00 0.00 H new ATOM 284 N PHE A 19 2.873 13.956 -12.493 1.00 0.00 N ATOM 285 CA PHE A 19 3.058 15.367 -12.178 1.00 0.00 C ATOM 286 C PHE A 19 2.928 16.256 -13.429 1.00 0.00 C ATOM 287 O PHE A 19 2.293 17.309 -13.387 1.00 0.00 O ATOM 288 CB PHE A 19 4.404 15.582 -11.466 1.00 0.00 C ATOM 289 CG PHE A 19 4.878 17.012 -11.613 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.654 17.350 -12.733 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.525 18.004 -10.678 1.00 0.00 C ATOM 292 CE1 PHE A 19 6.066 18.672 -12.920 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.953 19.332 -10.870 1.00 0.00 C ATOM 294 CZ PHE A 19 5.725 19.660 -12.000 1.00 0.00 C ATOM 0 H PHE A 19 3.686 13.374 -12.291 1.00 0.00 H new ATOM 0 HA PHE A 19 2.261 15.669 -11.499 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.303 15.336 -10.409 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.150 14.904 -11.881 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.932 16.590 -13.448 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.928 17.747 -9.816 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.655 18.930 -13.787 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.690 20.096 -10.153 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.053 20.678 -12.154 1.00 0.00 H new ATOM 304 N PHE A 20 3.545 15.847 -14.544 1.00 0.00 N ATOM 305 CA PHE A 20 3.523 16.608 -15.794 1.00 0.00 C ATOM 306 C PHE A 20 2.062 16.877 -16.170 1.00 0.00 C ATOM 307 O PHE A 20 1.668 18.021 -16.405 1.00 0.00 O ATOM 308 CB PHE A 20 4.288 15.825 -16.866 1.00 0.00 C ATOM 309 CG PHE A 20 4.132 16.239 -18.309 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.715 17.435 -18.754 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.427 15.418 -19.212 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.602 17.810 -20.100 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.319 15.795 -20.559 1.00 0.00 C ATOM 314 CZ PHE A 20 3.912 16.988 -21.001 1.00 0.00 C ATOM 0 H PHE A 20 4.074 14.977 -14.603 1.00 0.00 H new ATOM 0 HA PHE A 20 4.019 17.573 -15.691 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.349 15.875 -16.620 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.992 14.779 -16.787 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.250 18.066 -18.060 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.971 14.501 -18.868 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.047 18.733 -20.443 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.781 15.168 -21.255 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.836 17.274 -22.040 1.00 0.00 H new ATOM 324 N LEU A 21 1.250 15.812 -16.178 1.00 0.00 N ATOM 325 CA LEU A 21 -0.174 15.903 -16.443 1.00 0.00 C ATOM 326 C LEU A 21 -0.859 16.721 -15.359 1.00 0.00 C ATOM 327 O LEU A 21 -1.764 17.476 -15.687 1.00 0.00 O ATOM 328 CB LEU A 21 -0.810 14.504 -16.551 1.00 0.00 C ATOM 329 CG LEU A 21 -1.208 14.039 -17.964 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.508 12.536 -17.871 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.436 14.829 -18.435 1.00 0.00 C ATOM 0 H LEU A 21 1.574 14.862 -15.999 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.311 16.405 -17.401 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.110 13.778 -16.137 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.700 14.484 -15.922 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.412 14.214 -18.688 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.796 12.161 -18.853 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.619 12.008 -17.527 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.323 12.371 -17.166 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.718 14.500 -19.435 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.265 14.656 -17.749 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.198 15.893 -18.456 1.00 0.00 H new ATOM 343 N GLU A 22 -0.444 16.612 -14.094 1.00 0.00 N ATOM 344 CA GLU A 22 -1.039 17.409 -13.026 1.00 0.00 C ATOM 345 C GLU A 22 -0.946 18.895 -13.383 1.00 0.00 C ATOM 346 O GLU A 22 -1.880 19.640 -13.113 1.00 0.00 O ATOM 347 CB GLU A 22 -0.382 17.116 -11.666 1.00 0.00 C ATOM 348 CG GLU A 22 -1.115 17.784 -10.496 1.00 0.00 C ATOM 349 CD GLU A 22 -0.454 17.414 -9.171 1.00 0.00 C ATOM 350 OE1 GLU A 22 0.630 17.974 -8.901 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.032 16.565 -8.456 1.00 0.00 O ATOM 0 H GLU A 22 0.298 15.982 -13.789 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.090 17.134 -12.931 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.356 16.038 -11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.652 17.460 -11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.106 18.866 -10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.159 17.472 -10.488 1.00 0.00 H new ATOM 358 N GLU A 23 0.160 19.331 -14.001 1.00 0.00 N ATOM 359 CA GLU A 23 0.366 20.722 -14.389 1.00 0.00 C ATOM 360 C GLU A 23 -0.426 21.061 -15.653 1.00 0.00 C ATOM 361 O GLU A 23 -1.085 22.100 -15.684 1.00 0.00 O ATOM 362 CB GLU A 23 1.856 21.050 -14.437 1.00 0.00 C ATOM 363 CG GLU A 23 2.388 21.047 -12.989 1.00 0.00 C ATOM 364 CD GLU A 23 2.977 22.388 -12.563 1.00 0.00 C ATOM 365 OE1 GLU A 23 2.272 23.404 -12.743 1.00 0.00 O ATOM 366 OE2 GLU A 23 4.113 22.375 -12.043 1.00 0.00 O ATOM 0 H GLU A 23 0.939 18.719 -14.245 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.042 21.387 -13.628 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.389 20.316 -15.041 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.018 22.023 -14.901 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.577 20.782 -12.311 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.151 20.275 -12.891 1.00 0.00 H new ATOM 373 N ILE A 24 -0.408 20.184 -16.669 1.00 0.00 N ATOM 374 CA ILE A 24 -1.214 20.371 -17.890 1.00 0.00 C ATOM 375 C ILE A 24 -2.681 20.596 -17.447 1.00 0.00 C ATOM 376 O ILE A 24 -3.351 21.529 -17.902 1.00 0.00 O ATOM 377 CB ILE A 24 -1.056 19.160 -18.886 1.00 0.00 C ATOM 378 CG1 ILE A 24 0.043 19.328 -19.977 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.374 18.669 -19.513 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.288 18.665 -21.323 1.00 0.00 C ATOM 0 H ILE A 24 0.157 19.335 -16.671 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.866 21.240 -18.448 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.703 18.375 -18.217 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.213 20.392 -20.143 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.977 18.911 -19.601 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.169 17.835 -20.184 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.053 18.343 -18.725 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.835 19.482 -20.075 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.531 18.832 -22.022 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.427 17.594 -21.176 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.203 19.098 -21.727 1.00 0.00 H new ATOM 392 N GLN A 25 -3.155 19.730 -16.539 1.00 0.00 N ATOM 393 CA GLN A 25 -4.506 19.726 -15.987 1.00 0.00 C ATOM 394 C GLN A 25 -4.794 21.000 -15.195 1.00 0.00 C ATOM 395 O GLN A 25 -5.698 21.758 -15.538 1.00 0.00 O ATOM 396 CB GLN A 25 -4.704 18.493 -15.081 1.00 0.00 C ATOM 397 CG GLN A 25 -4.681 17.143 -15.812 1.00 0.00 C ATOM 398 CD GLN A 25 -6.078 16.663 -16.184 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.837 16.219 -15.327 1.00 0.00 O ATOM 400 NE2 GLN A 25 -6.419 16.737 -17.466 1.00 0.00 N ATOM 0 H GLN A 25 -2.576 18.982 -16.156 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.205 19.683 -16.822 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.924 18.491 -14.320 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.657 18.592 -14.561 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.077 17.232 -16.715 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.200 16.398 -15.179 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.760 17.112 -18.148 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.340 16.419 -17.768 1.00 0.00 H new ATOM 409 N LEU A 26 -4.019 21.200 -14.127 1.00 0.00 N ATOM 410 CA LEU A 26 -4.103 22.320 -13.189 1.00 0.00 C ATOM 411 C LEU A 26 -4.154 23.636 -13.962 1.00 0.00 C ATOM 412 O LEU A 26 -5.075 24.425 -13.759 1.00 0.00 O ATOM 413 CB LEU A 26 -2.931 22.226 -12.191 1.00 0.00 C ATOM 414 CG LEU A 26 -2.792 23.207 -11.024 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.858 24.675 -11.421 1.00 0.00 C ATOM 416 CD2 LEU A 26 -3.807 22.884 -9.939 1.00 0.00 C ATOM 0 H LEU A 26 -3.275 20.548 -13.880 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.021 22.278 -12.603 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.961 21.225 -11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.013 22.295 -12.774 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.784 23.067 -10.635 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.751 25.297 -10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.053 24.899 -12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.818 24.881 -11.895 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.696 23.590 -9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.814 22.960 -10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.639 21.871 -9.574 1.00 0.00 H new ATOM 428 N GLY A 27 -3.186 23.871 -14.856 1.00 0.00 N ATOM 429 CA GLY A 27 -3.152 25.081 -15.664 1.00 0.00 C ATOM 430 C GLY A 27 -4.437 25.200 -16.462 1.00 0.00 C ATOM 431 O GLY A 27 -5.208 26.121 -16.211 1.00 0.00 O ATOM 0 H GLY A 27 -2.413 23.229 -15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.028 25.954 -15.023 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.295 25.056 -16.338 1.00 0.00 H new ATOM 435 N GLU A 28 -4.687 24.283 -17.407 1.00 0.00 N ATOM 436 CA GLU A 28 -5.908 24.353 -18.204 1.00 0.00 C ATOM 437 C GLU A 28 -7.195 24.555 -17.383 1.00 0.00 C ATOM 438 O GLU A 28 -8.118 25.224 -17.849 1.00 0.00 O ATOM 439 CB GLU A 28 -5.955 23.169 -19.166 1.00 0.00 C ATOM 440 CG GLU A 28 -4.891 23.354 -20.260 1.00 0.00 C ATOM 441 CD GLU A 28 -5.289 24.419 -21.281 1.00 0.00 C ATOM 442 OE1 GLU A 28 -6.400 24.288 -21.842 1.00 0.00 O ATOM 443 OE2 GLU A 28 -4.483 25.355 -21.474 1.00 0.00 O ATOM 0 H GLU A 28 -4.071 23.501 -17.631 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.868 25.267 -18.796 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.777 22.240 -18.625 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.945 23.092 -19.616 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.943 23.632 -19.799 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.730 22.405 -20.772 1.00 0.00 H new ATOM 450 N GLU A 29 -7.258 24.022 -16.159 1.00 0.00 N ATOM 451 CA GLU A 29 -8.403 24.204 -15.269 1.00 0.00 C ATOM 452 C GLU A 29 -8.417 25.624 -14.691 1.00 0.00 C ATOM 453 O GLU A 29 -9.472 26.251 -14.656 1.00 0.00 O ATOM 454 CB GLU A 29 -8.454 23.111 -14.199 1.00 0.00 C ATOM 455 CG GLU A 29 -9.629 23.306 -13.228 1.00 0.00 C ATOM 456 CD GLU A 29 -9.875 22.090 -12.341 1.00 0.00 C ATOM 457 OE1 GLU A 29 -9.055 21.148 -12.385 1.00 0.00 O ATOM 458 OE2 GLU A 29 -10.914 22.084 -11.645 1.00 0.00 O ATOM 0 H GLU A 29 -6.513 23.451 -15.759 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.320 24.096 -15.848 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.540 22.137 -14.680 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.519 23.108 -13.639 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.433 24.174 -12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.533 23.522 -13.798 1.00 0.00 H new ATOM 465 N LEU A 30 -7.277 26.176 -14.258 1.00 0.00 N ATOM 466 CA LEU A 30 -7.267 27.550 -13.764 1.00 0.00 C ATOM 467 C LEU A 30 -7.628 28.496 -14.902 1.00 0.00 C ATOM 468 O LEU A 30 -8.336 29.477 -14.689 1.00 0.00 O ATOM 469 CB LEU A 30 -5.929 27.952 -13.133 1.00 0.00 C ATOM 470 CG LEU A 30 -5.662 27.388 -11.733 1.00 0.00 C ATOM 471 CD1 LEU A 30 -4.276 27.867 -11.279 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.698 27.836 -10.692 1.00 0.00 C ATOM 0 H LEU A 30 -6.373 25.703 -14.241 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.009 27.618 -12.969 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.124 27.630 -13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.884 29.040 -13.082 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.722 26.302 -11.800 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.064 27.477 -10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.520 27.508 -11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.258 28.957 -11.253 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.451 27.402 -9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.690 28.923 -10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.689 27.501 -10.998 1.00 0.00 H new ATOM 484 N LEU A 31 -7.182 28.195 -16.122 1.00 0.00 N ATOM 485 CA LEU A 31 -7.532 28.988 -17.297 1.00 0.00 C ATOM 486 C LEU A 31 -9.025 28.869 -17.543 1.00 0.00 C ATOM 487 O LEU A 31 -9.655 29.836 -17.967 1.00 0.00 O ATOM 488 CB LEU A 31 -6.720 28.502 -18.479 1.00 0.00 C ATOM 489 CG LEU A 31 -5.264 28.972 -18.389 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.673 29.237 -16.996 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.447 27.913 -19.113 1.00 0.00 C ATOM 0 H LEU A 31 -6.573 27.401 -16.321 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.300 30.042 -17.143 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.750 27.413 -18.520 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.166 28.869 -19.404 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.230 29.966 -18.834 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.637 29.562 -17.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.251 30.015 -16.497 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.710 28.322 -16.405 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.392 28.186 -19.087 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.584 26.949 -18.623 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.778 27.843 -20.149 1.00 0.00 H new ATOM 503 N ALA A 32 -9.595 27.705 -17.218 1.00 0.00 N ATOM 504 CA ALA A 32 -11.033 27.513 -17.289 1.00 0.00 C ATOM 505 C ALA A 32 -11.743 28.513 -16.364 1.00 0.00 C ATOM 506 O ALA A 32 -12.906 28.838 -16.595 1.00 0.00 O ATOM 507 CB ALA A 32 -11.426 26.063 -16.986 1.00 0.00 C ATOM 0 H ALA A 32 -9.076 26.885 -16.904 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.360 27.709 -18.310 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.509 25.959 -17.049 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.955 25.399 -17.711 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.094 25.798 -15.982 1.00 0.00 H new ATOM 513 N GLN A 33 -11.033 29.024 -15.346 1.00 0.00 N ATOM 514 CA GLN A 33 -11.519 30.037 -14.421 1.00 0.00 C ATOM 515 C GLN A 33 -11.173 31.414 -15.002 1.00 0.00 C ATOM 516 O GLN A 33 -11.945 32.362 -14.867 1.00 0.00 O ATOM 517 CB GLN A 33 -10.902 29.804 -13.030 1.00 0.00 C ATOM 518 CG GLN A 33 -11.995 29.693 -11.963 1.00 0.00 C ATOM 519 CD GLN A 33 -11.397 29.450 -10.582 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.494 30.300 -9.700 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.772 28.289 -10.386 1.00 0.00 N ATOM 0 H GLN A 33 -10.077 28.729 -15.145 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.600 29.980 -14.296 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.304 28.893 -13.040 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.229 30.625 -12.784 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.587 30.608 -11.949 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.673 28.878 -12.217 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.712 27.608 -11.143 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.354 28.082 -9.479 1.00 0.00 H new ATOM 530 N GLY A 34 -10.015 31.496 -15.666 1.00 0.00 N ATOM 531 CA GLY A 34 -9.480 32.664 -16.347 1.00 0.00 C ATOM 532 C GLY A 34 -8.064 33.036 -15.909 1.00 0.00 C ATOM 533 O GLY A 34 -7.618 34.130 -16.249 1.00 0.00 O ATOM 0 H GLY A 34 -9.392 30.692 -15.743 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.482 32.480 -17.421 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.141 33.512 -16.168 1.00 0.00 H new ATOM 537 N ASP A 35 -7.344 32.180 -15.162 1.00 0.00 N ATOM 538 CA ASP A 35 -6.003 32.546 -14.679 1.00 0.00 C ATOM 539 C ASP A 35 -4.851 32.269 -15.662 1.00 0.00 C ATOM 540 O ASP A 35 -3.862 31.624 -15.320 1.00 0.00 O ATOM 541 CB ASP A 35 -5.741 31.990 -13.267 1.00 0.00 C ATOM 542 CG ASP A 35 -4.871 32.947 -12.452 1.00 0.00 C ATOM 543 OD1 ASP A 35 -4.067 33.675 -13.074 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.975 32.905 -11.205 1.00 0.00 O ATOM 0 H ASP A 35 -7.660 31.251 -14.885 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.013 33.634 -14.610 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.689 31.829 -12.754 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.250 31.020 -13.340 1.00 0.00 H new ATOM 549 N TYR A 36 -4.978 32.780 -16.890 1.00 0.00 N ATOM 550 CA TYR A 36 -4.037 32.701 -18.010 1.00 0.00 C ATOM 551 C TYR A 36 -2.581 32.890 -17.602 1.00 0.00 C ATOM 552 O TYR A 36 -1.700 32.179 -18.086 1.00 0.00 O ATOM 553 CB TYR A 36 -4.460 33.716 -19.079 1.00 0.00 C ATOM 554 CG TYR A 36 -5.952 33.752 -19.360 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.609 32.605 -19.843 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.687 34.930 -19.129 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.991 32.633 -20.090 1.00 0.00 C ATOM 558 CE2 TYR A 36 -8.070 34.958 -19.377 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.722 33.811 -19.855 1.00 0.00 C ATOM 560 OH TYR A 36 -10.065 33.842 -20.089 1.00 0.00 O ATOM 0 H TYR A 36 -5.814 33.305 -17.148 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.082 31.690 -18.414 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.138 34.709 -18.766 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.934 33.488 -20.006 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.048 31.700 -20.024 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.187 35.814 -18.761 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.492 31.751 -20.460 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.632 35.863 -19.200 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.414 34.732 -19.873 1.00 0.00 H new ATOM 570 N GLU A 37 -2.339 33.846 -16.712 1.00 0.00 N ATOM 571 CA GLU A 37 -1.007 34.164 -16.224 1.00 0.00 C ATOM 572 C GLU A 37 -0.397 32.989 -15.469 1.00 0.00 C ATOM 573 O GLU A 37 0.800 32.732 -15.588 1.00 0.00 O ATOM 574 CB GLU A 37 -1.004 35.476 -15.437 1.00 0.00 C ATOM 575 CG GLU A 37 -1.565 36.603 -16.317 1.00 0.00 C ATOM 576 CD GLU A 37 -1.162 37.977 -15.803 1.00 0.00 C ATOM 577 OE1 GLU A 37 -0.055 38.413 -16.192 1.00 0.00 O ATOM 578 OE2 GLU A 37 -1.963 38.573 -15.052 1.00 0.00 O ATOM 0 H GLU A 37 -3.072 34.427 -16.306 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.354 34.332 -17.080 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.605 35.372 -14.534 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.010 35.719 -15.119 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.207 36.478 -17.339 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.652 36.532 -16.349 1.00 0.00 H new ATOM 585 N LYS A 38 -1.229 32.257 -14.729 1.00 0.00 N ATOM 586 CA LYS A 38 -0.779 31.062 -14.026 1.00 0.00 C ATOM 587 C LYS A 38 -0.545 29.977 -15.060 1.00 0.00 C ATOM 588 O LYS A 38 0.413 29.220 -14.949 1.00 0.00 O ATOM 589 CB LYS A 38 -1.793 30.536 -13.008 1.00 0.00 C ATOM 590 CG LYS A 38 -2.135 31.517 -11.894 1.00 0.00 C ATOM 591 CD LYS A 38 -1.270 31.334 -10.648 1.00 0.00 C ATOM 592 CE LYS A 38 -1.612 32.411 -9.608 1.00 0.00 C ATOM 593 NZ LYS A 38 -3.062 32.514 -9.323 1.00 0.00 N ATOM 0 H LYS A 38 -2.218 32.473 -14.602 1.00 0.00 H new ATOM 0 HA LYS A 38 0.124 31.326 -13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.710 30.267 -13.533 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.401 29.622 -12.562 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.016 32.535 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.184 31.397 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.433 30.343 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.215 31.397 -10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.082 32.192 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.249 33.376 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.210 33.118 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.548 32.930 -10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.447 31.566 -9.136 1.00 0.00 H new ATOM 607 N GLY A 39 -1.420 29.908 -16.070 1.00 0.00 N ATOM 608 CA GLY A 39 -1.305 28.933 -17.140 1.00 0.00 C ATOM 609 C GLY A 39 0.052 29.007 -17.799 1.00 0.00 C ATOM 610 O GLY A 39 0.608 27.974 -18.153 1.00 0.00 O ATOM 0 H GLY A 39 -2.224 30.529 -16.161 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.465 27.931 -16.742 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.083 29.109 -17.882 1.00 0.00 H new ATOM 614 N VAL A 40 0.587 30.221 -17.963 1.00 0.00 N ATOM 615 CA VAL A 40 1.889 30.370 -18.580 1.00 0.00 C ATOM 616 C VAL A 40 2.930 29.629 -17.739 1.00 0.00 C ATOM 617 O VAL A 40 3.724 28.873 -18.287 1.00 0.00 O ATOM 618 CB VAL A 40 2.251 31.857 -18.785 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.690 31.956 -19.294 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.333 32.580 -19.790 1.00 0.00 C ATOM 0 H VAL A 40 0.141 31.094 -17.680 1.00 0.00 H new ATOM 0 HA VAL A 40 1.870 29.926 -19.575 1.00 0.00 H new ATOM 0 HB VAL A 40 2.125 32.344 -17.818 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.953 33.004 -19.441 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.366 31.512 -18.563 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.778 31.423 -20.241 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.645 33.620 -19.885 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.401 32.091 -20.762 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.303 32.541 -19.435 1.00 0.00 H new ATOM 630 N ASP A 41 2.917 29.836 -16.420 1.00 0.00 N ATOM 631 CA ASP A 41 3.858 29.210 -15.498 1.00 0.00 C ATOM 632 C ASP A 41 3.665 27.698 -15.451 1.00 0.00 C ATOM 633 O ASP A 41 4.619 26.939 -15.577 1.00 0.00 O ATOM 634 CB ASP A 41 3.759 29.824 -14.093 1.00 0.00 C ATOM 635 CG ASP A 41 4.776 29.181 -13.155 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.978 29.469 -13.339 1.00 0.00 O ATOM 637 OD2 ASP A 41 4.338 28.400 -12.284 1.00 0.00 O ATOM 0 H ASP A 41 2.244 30.450 -15.961 1.00 0.00 H new ATOM 0 HA ASP A 41 4.862 29.405 -15.874 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.934 30.899 -14.146 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.753 29.684 -13.699 1.00 0.00 H new ATOM 642 N HIS A 42 2.424 27.258 -15.272 1.00 0.00 N ATOM 643 CA HIS A 42 2.070 25.850 -15.198 1.00 0.00 C ATOM 644 C HIS A 42 2.464 25.141 -16.479 1.00 0.00 C ATOM 645 O HIS A 42 2.934 24.004 -16.438 1.00 0.00 O ATOM 646 CB HIS A 42 0.579 25.665 -14.900 1.00 0.00 C ATOM 647 CG HIS A 42 0.201 26.148 -13.527 1.00 0.00 C ATOM 648 ND1 HIS A 42 0.841 25.698 -12.384 1.00 0.00 N ATOM 649 CD2 HIS A 42 -0.743 27.040 -13.086 1.00 0.00 C ATOM 650 CE1 HIS A 42 0.278 26.322 -11.337 1.00 0.00 C ATOM 651 NE2 HIS A 42 -0.699 27.157 -11.698 1.00 0.00 N ATOM 0 H HIS A 42 1.624 27.883 -15.173 1.00 0.00 H new ATOM 0 HA HIS A 42 2.623 25.402 -14.372 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.007 26.204 -15.645 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.321 24.610 -14.994 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.600 25.018 -12.345 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.426 27.578 -13.726 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.583 26.165 -10.313 1.00 0.00 H new ATOM 659 N LEU A 43 2.303 25.811 -17.625 1.00 0.00 N ATOM 660 CA LEU A 43 2.716 25.179 -18.858 1.00 0.00 C ATOM 661 C LEU A 43 4.241 25.165 -18.839 1.00 0.00 C ATOM 662 O LEU A 43 4.835 24.136 -19.129 1.00 0.00 O ATOM 663 CB LEU A 43 2.132 25.861 -20.106 1.00 0.00 C ATOM 664 CG LEU A 43 1.819 24.788 -21.160 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.418 24.197 -20.938 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.840 25.361 -22.578 1.00 0.00 C ATOM 0 H LEU A 43 1.908 26.747 -17.715 1.00 0.00 H new ATOM 0 HA LEU A 43 2.326 24.163 -18.920 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.227 26.410 -19.847 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.841 26.586 -20.506 1.00 0.00 H new ATOM 0 HG LEU A 43 2.589 24.024 -21.053 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.218 23.440 -21.696 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.367 23.742 -19.949 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.327 24.989 -21.012 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.614 24.570 -23.293 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.094 26.151 -22.662 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.827 25.771 -22.790 1.00 0.00 H new ATOM 678 N THR A 44 4.875 26.286 -18.464 1.00 0.00 N ATOM 679 CA THR A 44 6.335 26.379 -18.389 1.00 0.00 C ATOM 680 C THR A 44 6.909 25.213 -17.573 1.00 0.00 C ATOM 681 O THR A 44 7.955 24.660 -17.910 1.00 0.00 O ATOM 682 CB THR A 44 6.830 27.742 -17.875 1.00 0.00 C ATOM 683 OG1 THR A 44 6.423 28.767 -18.759 1.00 0.00 O ATOM 684 CG2 THR A 44 8.362 27.783 -17.815 1.00 0.00 C ATOM 0 H THR A 44 4.391 27.146 -18.206 1.00 0.00 H new ATOM 0 HA THR A 44 6.712 26.301 -19.409 1.00 0.00 H new ATOM 0 HB THR A 44 6.409 27.887 -16.880 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.483 28.988 -18.593 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.686 28.757 -17.449 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.721 27.004 -17.142 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.770 27.617 -18.812 1.00 0.00 H new ATOM 692 N ASN A 45 6.202 24.833 -16.506 1.00 0.00 N ATOM 693 CA ASN A 45 6.588 23.732 -15.632 1.00 0.00 C ATOM 694 C ASN A 45 6.506 22.431 -16.422 1.00 0.00 C ATOM 695 O ASN A 45 7.442 21.631 -16.394 1.00 0.00 O ATOM 696 CB ASN A 45 5.723 23.659 -14.367 1.00 0.00 C ATOM 697 CG ASN A 45 6.197 24.604 -13.264 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.016 24.226 -12.429 1.00 0.00 O ATOM 699 ND2 ASN A 45 5.696 25.837 -13.253 1.00 0.00 N ATOM 0 H ASN A 45 5.335 25.290 -16.224 1.00 0.00 H new ATOM 0 HA ASN A 45 7.610 23.901 -15.292 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.691 23.899 -14.625 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.728 22.637 -13.989 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.990 26.501 -12.537 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.018 26.118 -13.961 1.00 0.00 H new ATOM 706 N ALA A 46 5.397 22.231 -17.146 1.00 0.00 N ATOM 707 CA ALA A 46 5.208 21.051 -17.969 1.00 0.00 C ATOM 708 C ALA A 46 6.423 20.904 -18.907 1.00 0.00 C ATOM 709 O ALA A 46 7.023 19.832 -18.989 1.00 0.00 O ATOM 710 CB ALA A 46 3.832 21.101 -18.659 1.00 0.00 C ATOM 0 H ALA A 46 4.615 22.885 -17.171 1.00 0.00 H new ATOM 0 HA ALA A 46 5.178 20.138 -17.374 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.701 20.211 -19.274 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.047 21.139 -17.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.773 21.989 -19.289 1.00 0.00 H new ATOM 716 N ILE A 47 6.831 21.991 -19.577 1.00 0.00 N ATOM 717 CA ILE A 47 8.009 21.988 -20.450 1.00 0.00 C ATOM 718 C ILE A 47 9.290 21.677 -19.679 1.00 0.00 C ATOM 719 O ILE A 47 10.165 20.980 -20.186 1.00 0.00 O ATOM 720 CB ILE A 47 8.196 23.327 -21.206 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.136 23.576 -22.305 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.616 23.457 -21.795 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.795 24.059 -21.764 1.00 0.00 C ATOM 0 H ILE A 47 6.355 22.892 -19.528 1.00 0.00 H new ATOM 0 HA ILE A 47 7.823 21.199 -21.179 1.00 0.00 H new ATOM 0 HB ILE A 47 8.053 24.100 -20.451 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.521 24.314 -23.008 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.981 22.653 -22.864 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.707 24.409 -22.317 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.349 23.413 -20.990 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.796 22.641 -22.495 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.103 24.212 -22.592 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.387 23.312 -21.083 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.935 24.999 -21.230 1.00 0.00 H new ATOM 735 N ALA A 48 9.414 22.227 -18.474 1.00 0.00 N ATOM 736 CA ALA A 48 10.598 22.102 -17.639 1.00 0.00 C ATOM 737 C ALA A 48 10.867 20.658 -17.270 1.00 0.00 C ATOM 738 O ALA A 48 12.023 20.265 -17.126 1.00 0.00 O ATOM 739 CB ALA A 48 10.502 22.992 -16.397 1.00 0.00 C ATOM 0 H ALA A 48 8.675 22.784 -18.044 1.00 0.00 H new ATOM 0 HA ALA A 48 11.449 22.450 -18.224 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.403 22.875 -15.795 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.403 24.034 -16.703 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.632 22.702 -15.808 1.00 0.00 H new ATOM 745 N VAL A 49 9.796 19.874 -17.130 1.00 0.00 N ATOM 746 CA VAL A 49 9.912 18.476 -16.777 1.00 0.00 C ATOM 747 C VAL A 49 9.792 17.579 -18.006 1.00 0.00 C ATOM 748 O VAL A 49 10.154 16.408 -17.926 1.00 0.00 O ATOM 749 CB VAL A 49 8.924 18.150 -15.654 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.127 19.167 -14.525 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.450 18.124 -16.074 1.00 0.00 C ATOM 0 H VAL A 49 8.837 20.196 -17.259 1.00 0.00 H new ATOM 0 HA VAL A 49 10.908 18.271 -16.386 1.00 0.00 H new ATOM 0 HB VAL A 49 9.142 17.131 -15.333 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.432 18.953 -13.713 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.150 19.100 -14.154 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.944 20.173 -14.904 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.830 17.884 -15.210 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.166 19.101 -16.465 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.305 17.368 -16.846 1.00 0.00 H new ATOM 761 N CYS A 50 9.313 18.108 -19.142 1.00 0.00 N ATOM 762 CA CYS A 50 9.204 17.317 -20.362 1.00 0.00 C ATOM 763 C CYS A 50 10.512 17.390 -21.149 1.00 0.00 C ATOM 764 O CYS A 50 11.088 16.358 -21.483 1.00 0.00 O ATOM 765 CB CYS A 50 8.002 17.784 -21.178 1.00 0.00 C ATOM 766 SG CYS A 50 7.920 16.892 -22.747 1.00 0.00 S ATOM 0 H CYS A 50 8.999 19.074 -19.234 1.00 0.00 H new ATOM 0 HA CYS A 50 9.037 16.269 -20.113 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.085 17.621 -20.612 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.076 18.855 -21.365 1.00 0.00 H new ATOM 0 HG CYS A 50 6.890 17.302 -23.426 1.00 0.00 H new ATOM 772 N GLY A 51 10.982 18.609 -21.440 1.00 0.00 N ATOM 773 CA GLY A 51 12.220 18.843 -22.173 1.00 0.00 C ATOM 774 C GLY A 51 12.010 18.886 -23.689 1.00 0.00 C ATOM 775 O GLY A 51 12.943 19.187 -24.428 1.00 0.00 O ATOM 0 H GLY A 51 10.503 19.467 -21.167 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.660 19.785 -21.844 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.935 18.056 -21.931 1.00 0.00 H new ATOM 779 N GLN A 52 10.788 18.598 -24.150 1.00 0.00 N ATOM 780 CA GLN A 52 10.397 18.601 -25.555 1.00 0.00 C ATOM 781 C GLN A 52 9.218 19.573 -25.683 1.00 0.00 C ATOM 782 O GLN A 52 8.093 19.136 -25.933 1.00 0.00 O ATOM 783 CB GLN A 52 10.059 17.159 -25.972 1.00 0.00 C ATOM 784 CG GLN A 52 9.954 17.019 -27.497 1.00 0.00 C ATOM 785 CD GLN A 52 11.288 17.143 -28.233 1.00 0.00 C ATOM 786 OE1 GLN A 52 12.354 16.954 -27.655 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.237 17.469 -29.524 1.00 0.00 N ATOM 0 H GLN A 52 10.019 18.348 -23.528 1.00 0.00 H new ATOM 0 HA GLN A 52 11.189 18.937 -26.224 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.826 16.482 -25.596 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.117 16.859 -25.513 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.511 16.051 -27.732 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.272 17.781 -27.874 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.335 17.620 -29.977 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.099 17.568 -30.060 1.00 0.00 H new ATOM 796 N PRO A 53 9.439 20.892 -25.503 1.00 0.00 N ATOM 797 CA PRO A 53 8.373 21.875 -25.578 1.00 0.00 C ATOM 798 C PRO A 53 7.569 21.805 -26.865 1.00 0.00 C ATOM 799 O PRO A 53 6.348 21.742 -26.820 1.00 0.00 O ATOM 800 CB PRO A 53 9.039 23.250 -25.437 1.00 0.00 C ATOM 801 CG PRO A 53 10.512 22.991 -25.738 1.00 0.00 C ATOM 802 CD PRO A 53 10.694 21.576 -25.202 1.00 0.00 C ATOM 0 HA PRO A 53 7.652 21.680 -24.784 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.612 23.972 -26.134 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.904 23.656 -24.435 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.729 23.056 -26.804 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.164 23.706 -25.236 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.538 21.079 -25.679 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.892 21.583 -24.130 1.00 0.00 H new ATOM 810 N GLN A 54 8.265 21.839 -27.999 1.00 0.00 N ATOM 811 CA GLN A 54 7.681 21.850 -29.333 1.00 0.00 C ATOM 812 C GLN A 54 6.706 20.695 -29.532 1.00 0.00 C ATOM 813 O GLN A 54 5.596 20.919 -30.012 1.00 0.00 O ATOM 814 CB GLN A 54 8.793 21.867 -30.395 1.00 0.00 C ATOM 815 CG GLN A 54 9.803 23.026 -30.238 1.00 0.00 C ATOM 816 CD GLN A 54 10.799 23.086 -31.395 1.00 0.00 C ATOM 817 OE1 GLN A 54 10.878 22.174 -32.213 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.575 24.167 -31.464 1.00 0.00 N ATOM 0 H GLN A 54 9.285 21.860 -28.012 1.00 0.00 H new ATOM 0 HA GLN A 54 7.095 22.762 -29.448 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.333 20.921 -30.354 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.336 21.930 -31.382 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.262 23.971 -30.177 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.345 22.908 -29.300 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.483 24.906 -30.767 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.261 24.255 -32.214 1.00 0.00 H new ATOM 827 N GLN A 55 7.096 19.474 -29.148 1.00 0.00 N ATOM 828 CA GLN A 55 6.199 18.331 -29.274 1.00 0.00 C ATOM 829 C GLN A 55 4.911 18.631 -28.522 1.00 0.00 C ATOM 830 O GLN A 55 3.823 18.423 -29.055 1.00 0.00 O ATOM 831 CB GLN A 55 6.856 17.027 -28.791 1.00 0.00 C ATOM 832 CG GLN A 55 5.976 15.775 -28.960 1.00 0.00 C ATOM 833 CD GLN A 55 5.683 15.359 -30.408 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.780 14.560 -30.642 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.432 15.872 -31.389 1.00 0.00 N ATOM 0 H GLN A 55 8.012 19.259 -28.754 1.00 0.00 H new ATOM 0 HA GLN A 55 5.969 18.174 -30.328 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.787 16.879 -29.338 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.118 17.134 -27.738 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.461 14.941 -28.453 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.027 15.949 -28.452 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.176 16.534 -31.169 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.259 15.602 -32.357 1.00 0.00 H new ATOM 844 N LEU A 56 5.042 19.144 -27.297 1.00 0.00 N ATOM 845 CA LEU A 56 3.888 19.493 -26.499 1.00 0.00 C ATOM 846 C LEU A 56 3.080 20.617 -27.156 1.00 0.00 C ATOM 847 O LEU A 56 1.856 20.566 -27.171 1.00 0.00 O ATOM 848 CB LEU A 56 4.261 19.788 -25.037 1.00 0.00 C ATOM 849 CG LEU A 56 3.031 19.931 -24.122 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.228 18.623 -23.956 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.523 20.440 -22.764 1.00 0.00 C ATOM 0 H LEU A 56 5.939 19.323 -26.845 1.00 0.00 H new ATOM 0 HA LEU A 56 3.234 18.622 -26.461 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.896 18.986 -24.661 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.847 20.706 -24.995 1.00 0.00 H new ATOM 0 HG LEU A 56 2.338 20.633 -24.584 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.377 18.800 -23.299 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.871 18.289 -24.930 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.869 17.855 -23.522 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.675 20.553 -22.089 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.230 19.726 -22.342 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.015 21.404 -22.893 1.00 0.00 H new ATOM 863 N LEU A 57 3.726 21.641 -27.717 1.00 0.00 N ATOM 864 CA LEU A 57 2.980 22.727 -28.352 1.00 0.00 C ATOM 865 C LEU A 57 2.168 22.190 -29.536 1.00 0.00 C ATOM 866 O LEU A 57 1.021 22.596 -29.736 1.00 0.00 O ATOM 867 CB LEU A 57 3.872 23.934 -28.702 1.00 0.00 C ATOM 868 CG LEU A 57 4.744 24.503 -27.555 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.274 25.897 -27.905 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.057 24.553 -26.179 1.00 0.00 C ATOM 0 H LEU A 57 4.741 21.741 -27.745 1.00 0.00 H new ATOM 0 HA LEU A 57 2.266 23.123 -27.630 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.531 23.645 -29.521 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.233 24.735 -29.074 1.00 0.00 H new ATOM 0 HG LEU A 57 5.565 23.792 -27.463 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.883 26.272 -27.082 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.881 25.839 -28.808 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.436 26.573 -28.074 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.747 24.966 -25.443 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.170 25.183 -26.238 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.767 23.546 -25.880 1.00 0.00 H new ATOM 882 N GLN A 58 2.729 21.245 -30.297 1.00 0.00 N ATOM 883 CA GLN A 58 2.018 20.620 -31.403 1.00 0.00 C ATOM 884 C GLN A 58 0.849 19.800 -30.843 1.00 0.00 C ATOM 885 O GLN A 58 -0.265 19.869 -31.359 1.00 0.00 O ATOM 886 CB GLN A 58 2.982 19.776 -32.251 1.00 0.00 C ATOM 887 CG GLN A 58 3.647 20.587 -33.375 1.00 0.00 C ATOM 888 CD GLN A 58 4.479 21.775 -32.889 1.00 0.00 C ATOM 889 OE1 GLN A 58 5.701 21.682 -32.797 1.00 0.00 O ATOM 890 NE2 GLN A 58 3.835 22.912 -32.614 1.00 0.00 N ATOM 0 H GLN A 58 3.679 20.899 -30.161 1.00 0.00 H new ATOM 0 HA GLN A 58 1.608 21.380 -32.068 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.754 19.355 -31.606 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.438 18.938 -32.686 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.288 19.923 -33.955 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.873 20.953 -34.050 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.820 22.957 -32.700 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.358 23.736 -32.318 1.00 0.00 H new ATOM 899 N VAL A 59 1.101 19.036 -29.774 1.00 0.00 N ATOM 900 CA VAL A 59 0.095 18.204 -29.119 1.00 0.00 C ATOM 901 C VAL A 59 -1.056 19.034 -28.555 1.00 0.00 C ATOM 902 O VAL A 59 -2.196 18.579 -28.543 1.00 0.00 O ATOM 903 CB VAL A 59 0.737 17.253 -28.088 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.527 17.616 -26.609 1.00 0.00 C ATOM 905 CG2 VAL A 59 0.322 15.814 -28.287 1.00 0.00 C ATOM 0 H VAL A 59 2.021 18.980 -29.337 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.357 17.565 -29.877 1.00 0.00 H new ATOM 0 HB VAL A 59 1.799 17.381 -28.296 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.023 16.877 -25.979 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.949 18.602 -26.413 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.540 17.627 -26.385 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.803 15.189 -27.534 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.760 15.731 -28.190 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.624 15.482 -29.281 1.00 0.00 H new ATOM 915 N LEU A 60 -0.777 20.267 -28.130 1.00 0.00 N ATOM 916 CA LEU A 60 -1.796 21.153 -27.585 1.00 0.00 C ATOM 917 C LEU A 60 -2.573 21.720 -28.770 1.00 0.00 C ATOM 918 O LEU A 60 -3.793 21.842 -28.692 1.00 0.00 O ATOM 919 CB LEU A 60 -1.113 22.336 -26.865 1.00 0.00 C ATOM 920 CG LEU A 60 -0.798 22.214 -25.362 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.944 22.805 -24.529 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.553 20.794 -24.849 1.00 0.00 C ATOM 0 H LEU A 60 0.158 20.674 -28.155 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.440 20.615 -26.889 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.175 22.539 -27.382 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.747 23.213 -26.998 1.00 0.00 H new ATOM 0 HG LEU A 60 0.137 22.763 -25.247 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.709 22.712 -23.469 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.072 23.858 -24.782 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.866 22.265 -24.744 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.341 20.825 -23.780 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.440 20.185 -25.025 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.296 20.359 -25.375 1.00 0.00 H new ATOM 934 N GLN A 61 -1.884 22.035 -29.870 1.00 0.00 N ATOM 935 CA GLN A 61 -2.514 22.574 -31.071 1.00 0.00 C ATOM 936 C GLN A 61 -3.436 21.539 -31.723 1.00 0.00 C ATOM 937 O GLN A 61 -4.393 21.910 -32.400 1.00 0.00 O ATOM 938 CB GLN A 61 -1.435 23.110 -32.033 1.00 0.00 C ATOM 939 CG GLN A 61 -1.909 23.442 -33.456 1.00 0.00 C ATOM 940 CD GLN A 61 -0.775 24.067 -34.267 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.308 23.495 -34.366 1.00 0.00 O ATOM 942 NE2 GLN A 61 -1.007 25.244 -34.846 1.00 0.00 N ATOM 0 H GLN A 61 -0.873 21.922 -29.950 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.152 23.414 -30.798 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.001 24.010 -31.596 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.636 22.371 -32.100 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.260 22.536 -33.949 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.754 24.129 -33.413 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.918 25.692 -34.744 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.274 25.697 -35.391 1.00 0.00 H new ATOM 951 N GLN A 62 -3.157 20.244 -31.522 1.00 0.00 N ATOM 952 CA GLN A 62 -3.945 19.157 -32.085 1.00 0.00 C ATOM 953 C GLN A 62 -5.291 19.055 -31.376 1.00 0.00 C ATOM 954 O GLN A 62 -6.302 18.790 -32.021 1.00 0.00 O ATOM 955 CB GLN A 62 -3.146 17.834 -32.090 1.00 0.00 C ATOM 956 CG GLN A 62 -3.518 16.770 -31.037 1.00 0.00 C ATOM 957 CD GLN A 62 -4.815 16.012 -31.330 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.727 15.988 -30.506 1.00 0.00 O ATOM 959 NE2 GLN A 62 -4.898 15.367 -32.494 1.00 0.00 N ATOM 0 H GLN A 62 -2.369 19.926 -30.958 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.161 19.374 -33.131 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.252 17.382 -33.076 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.091 18.078 -31.963 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.702 16.052 -30.961 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.607 17.255 -30.065 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.123 15.407 -33.156 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.737 14.833 -32.723 1.00 0.00 H new ATOM 968 N THR A 63 -5.302 19.256 -30.052 1.00 0.00 N ATOM 969 CA THR A 63 -6.533 19.160 -29.281 1.00 0.00 C ATOM 970 C THR A 63 -7.372 20.424 -29.399 1.00 0.00 C ATOM 971 O THR A 63 -8.592 20.330 -29.517 1.00 0.00 O ATOM 972 CB THR A 63 -6.291 18.690 -27.844 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.509 18.648 -27.125 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.268 19.499 -27.057 1.00 0.00 C ATOM 0 H THR A 63 -4.474 19.484 -29.502 1.00 0.00 H new ATOM 0 HA THR A 63 -7.139 18.370 -29.725 1.00 0.00 H new ATOM 0 HB THR A 63 -5.863 17.693 -27.950 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.338 18.344 -26.209 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.171 19.085 -26.053 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.303 19.456 -27.562 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.597 20.536 -26.991 1.00 0.00 H new ATOM 982 N LEU A 64 -6.727 21.591 -29.371 1.00 0.00 N ATOM 983 CA LEU A 64 -7.432 22.866 -29.484 1.00 0.00 C ATOM 984 C LEU A 64 -6.478 24.039 -29.725 1.00 0.00 C ATOM 985 O LEU A 64 -5.335 23.980 -29.290 1.00 0.00 O ATOM 986 CB LEU A 64 -8.330 23.118 -28.252 1.00 0.00 C ATOM 987 CG LEU A 64 -7.775 22.730 -26.865 1.00 0.00 C ATOM 988 CD1 LEU A 64 -6.485 23.468 -26.490 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.840 23.044 -25.807 1.00 0.00 C ATOM 0 H LEU A 64 -5.716 21.678 -29.271 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.074 22.797 -30.362 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.577 24.179 -28.229 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.264 22.577 -28.402 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.534 21.668 -26.906 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.154 23.144 -25.503 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.711 23.243 -27.224 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.671 24.542 -26.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.463 22.775 -24.820 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.072 24.109 -25.829 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.743 22.471 -26.019 1.00 0.00 H new ATOM 1001 N PRO A 65 -6.916 25.118 -30.399 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.080 26.287 -30.633 1.00 0.00 C ATOM 1003 C PRO A 65 -5.821 26.951 -29.271 1.00 0.00 C ATOM 1004 O PRO A 65 -6.771 27.412 -28.643 1.00 0.00 O ATOM 1005 CB PRO A 65 -6.884 27.186 -31.577 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.337 26.799 -31.301 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.242 25.311 -30.967 1.00 0.00 C ATOM 0 HA PRO A 65 -5.112 26.062 -31.081 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.706 28.242 -31.372 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.615 27.013 -32.619 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.757 27.372 -30.474 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.973 26.978 -32.168 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.017 25.019 -30.259 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.378 24.700 -31.859 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.571 26.987 -28.781 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.231 27.538 -27.478 1.00 0.00 C ATOM 1017 C PRO A 66 -4.016 29.059 -27.527 1.00 0.00 C ATOM 1018 O PRO A 66 -3.037 29.514 -28.116 1.00 0.00 O ATOM 1019 CB PRO A 66 -2.975 26.758 -27.087 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.247 26.548 -28.417 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.381 26.452 -29.433 1.00 0.00 C ATOM 0 HA PRO A 66 -5.028 27.427 -26.742 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.362 27.316 -26.379 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.225 25.809 -26.613 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.576 27.377 -28.642 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.642 25.642 -28.404 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.144 27.020 -30.333 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.539 25.418 -29.740 1.00 0.00 H new ATOM 1029 N PRO A 67 -4.890 29.877 -26.908 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.709 31.321 -26.877 1.00 0.00 C ATOM 1031 C PRO A 67 -3.610 31.657 -25.862 1.00 0.00 C ATOM 1032 O PRO A 67 -2.796 32.547 -26.089 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.067 31.890 -26.464 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.660 30.795 -25.577 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.092 29.502 -26.171 1.00 0.00 C ATOM 0 HA PRO A 67 -4.399 31.742 -27.833 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.960 32.830 -25.923 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.698 32.090 -27.330 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.366 30.920 -24.535 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.750 30.804 -25.604 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.857 28.785 -25.385 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.818 29.026 -26.830 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.586 30.919 -24.745 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.619 31.047 -23.661 1.00 0.00 C ATOM 1045 C VAL A 68 -1.213 30.950 -24.229 1.00 0.00 C ATOM 1046 O VAL A 68 -0.386 31.800 -23.936 1.00 0.00 O ATOM 1047 CB VAL A 68 -2.871 29.980 -22.585 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.686 29.875 -21.622 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.142 30.359 -21.821 1.00 0.00 C ATOM 0 H VAL A 68 -4.273 30.186 -24.570 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.732 32.020 -23.182 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.991 29.007 -23.062 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.893 29.112 -20.872 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.789 29.603 -22.178 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.531 30.835 -21.130 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.340 29.613 -21.051 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.009 31.335 -21.355 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.984 30.399 -22.512 1.00 0.00 H new ATOM 1059 N PHE A 69 -0.970 29.927 -25.053 1.00 0.00 N ATOM 1060 CA PHE A 69 0.289 29.681 -25.764 1.00 0.00 C ATOM 1061 C PHE A 69 0.817 30.977 -26.380 1.00 0.00 C ATOM 1062 O PHE A 69 2.002 31.276 -26.282 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.001 28.590 -26.803 1.00 0.00 C ATOM 1064 CG PHE A 69 0.749 28.557 -28.120 1.00 0.00 C ATOM 1065 CD1 PHE A 69 0.350 29.414 -29.161 1.00 0.00 C ATOM 1066 CD2 PHE A 69 1.813 27.659 -28.320 1.00 0.00 C ATOM 1067 CE1 PHE A 69 1.012 29.386 -30.400 1.00 0.00 C ATOM 1068 CE2 PHE A 69 2.474 27.629 -29.565 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.075 28.491 -30.601 1.00 0.00 C ATOM 0 H PHE A 69 -1.675 29.217 -25.252 1.00 0.00 H new ATOM 0 HA PHE A 69 1.078 29.339 -25.095 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.166 27.630 -26.315 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.063 28.647 -27.040 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.471 30.099 -29.007 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.122 26.997 -27.525 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.705 30.050 -31.194 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.291 26.940 -29.723 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.586 28.465 -31.552 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.069 31.754 -27.002 1.00 0.00 N ATOM 1080 CA GLN A 70 0.299 33.006 -27.656 1.00 0.00 C ATOM 1081 C GLN A 70 0.892 34.019 -26.674 1.00 0.00 C ATOM 1082 O GLN A 70 1.754 34.808 -27.052 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.892 33.591 -28.434 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.436 34.642 -29.455 1.00 0.00 C ATOM 1085 CD GLN A 70 -1.608 35.150 -30.289 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -1.697 34.869 -31.481 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -2.512 35.907 -29.667 1.00 0.00 N ATOM 0 H GLN A 70 -1.062 31.532 -27.066 1.00 0.00 H new ATOM 0 HA GLN A 70 1.086 32.779 -28.375 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.421 32.789 -28.948 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.597 34.042 -27.736 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.032 35.478 -28.935 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.320 34.211 -30.111 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.404 36.119 -28.675 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.312 36.274 -30.183 1.00 0.00 H new ATOM 1096 N MET A 71 0.437 34.002 -25.417 1.00 0.00 N ATOM 1097 CA MET A 71 0.874 34.870 -24.367 1.00 0.00 C ATOM 1098 C MET A 71 2.051 34.210 -23.640 1.00 0.00 C ATOM 1099 O MET A 71 2.949 34.907 -23.186 1.00 0.00 O ATOM 1100 CB MET A 71 -0.350 35.178 -23.490 1.00 0.00 C ATOM 1101 CG MET A 71 0.094 35.573 -22.093 1.00 0.00 C ATOM 1102 SD MET A 71 -0.996 36.675 -21.161 1.00 0.00 S ATOM 1103 CE MET A 71 -2.378 35.558 -20.874 1.00 0.00 C ATOM 0 H MET A 71 -0.280 33.344 -25.110 1.00 0.00 H new ATOM 0 HA MET A 71 1.256 35.827 -24.723 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.933 35.984 -23.936 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.000 34.304 -23.440 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.230 34.661 -21.511 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.071 36.050 -22.171 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.214 36.115 -20.450 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.684 35.107 -21.818 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.075 34.775 -20.179 1.00 0.00 H new ATOM 1113 N LEU A 72 2.089 32.879 -23.530 1.00 0.00 N ATOM 1114 CA LEU A 72 3.182 32.164 -22.892 1.00 0.00 C ATOM 1115 C LEU A 72 4.463 32.532 -23.628 1.00 0.00 C ATOM 1116 O LEU A 72 5.492 32.842 -23.026 1.00 0.00 O ATOM 1117 CB LEU A 72 2.882 30.648 -22.868 1.00 0.00 C ATOM 1118 CG LEU A 72 4.071 29.709 -23.121 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.066 29.682 -21.954 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.555 28.284 -23.328 1.00 0.00 C ATOM 0 H LEU A 72 1.353 32.269 -23.886 1.00 0.00 H new ATOM 0 HA LEU A 72 3.303 32.449 -21.847 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.453 30.401 -21.897 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.118 30.440 -23.617 1.00 0.00 H new ATOM 0 HG LEU A 72 4.588 30.086 -24.003 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.885 29.002 -22.189 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.462 30.684 -21.791 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.559 29.341 -21.051 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.396 27.615 -23.508 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.017 27.959 -22.438 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.884 28.261 -24.186 1.00 0.00 H new ATOM 1132 N LEU A 73 4.363 32.512 -24.954 1.00 0.00 N ATOM 1133 CA LEU A 73 5.473 32.822 -25.838 1.00 0.00 C ATOM 1134 C LEU A 73 5.887 34.285 -25.782 1.00 0.00 C ATOM 1135 O LEU A 73 6.995 34.617 -26.196 1.00 0.00 O ATOM 1136 CB LEU A 73 5.117 32.443 -27.271 1.00 0.00 C ATOM 1137 CG LEU A 73 4.811 30.953 -27.491 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.111 30.888 -28.842 1.00 0.00 C ATOM 1139 CD2 LEU A 73 6.046 30.061 -27.436 1.00 0.00 C ATOM 0 H LEU A 73 3.500 32.278 -25.445 1.00 0.00 H new ATOM 0 HA LEU A 73 6.324 32.236 -25.492 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.250 33.026 -27.581 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.943 32.729 -27.923 1.00 0.00 H new ATOM 0 HG LEU A 73 4.186 30.565 -26.687 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.859 29.853 -29.072 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.199 31.485 -28.808 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.773 31.280 -29.614 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.753 29.024 -27.600 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.750 30.366 -28.210 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.519 30.155 -26.459 1.00 0.00 H new ATOM 1151 N THR A 74 5.004 35.144 -25.269 1.00 0.00 N ATOM 1152 CA THR A 74 5.258 36.562 -25.116 1.00 0.00 C ATOM 1153 C THR A 74 5.722 36.852 -23.687 1.00 0.00 C ATOM 1154 O THR A 74 6.389 37.862 -23.466 1.00 0.00 O ATOM 1155 CB THR A 74 4.120 37.434 -25.669 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.656 38.560 -26.335 1.00 0.00 O ATOM 1157 CG2 THR A 74 3.181 37.954 -24.592 1.00 0.00 C ATOM 0 H THR A 74 4.079 34.860 -24.945 1.00 0.00 H new ATOM 0 HA THR A 74 6.090 36.863 -25.752 1.00 0.00 H new ATOM 0 HB THR A 74 3.554 36.790 -26.342 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.925 39.111 -26.686 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.402 38.562 -25.051 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.725 37.113 -24.070 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.743 38.561 -23.882 1.00 0.00 H new ATOM 1165 N LYS A 75 5.397 35.971 -22.726 1.00 0.00 N ATOM 1166 CA LYS A 75 5.823 36.142 -21.346 1.00 0.00 C ATOM 1167 C LYS A 75 7.304 35.773 -21.224 1.00 0.00 C ATOM 1168 O LYS A 75 8.048 36.466 -20.535 1.00 0.00 O ATOM 1169 CB LYS A 75 4.983 35.235 -20.430 1.00 0.00 C ATOM 1170 CG LYS A 75 4.419 35.903 -19.174 1.00 0.00 C ATOM 1171 CD LYS A 75 3.125 36.709 -19.447 1.00 0.00 C ATOM 1172 CE LYS A 75 2.396 37.262 -18.198 1.00 0.00 C ATOM 1173 NZ LYS A 75 1.197 38.040 -18.556 1.00 0.00 N ATOM 0 H LYS A 75 4.838 35.134 -22.891 1.00 0.00 H new ATOM 0 HA LYS A 75 5.682 37.180 -21.046 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.152 34.833 -21.010 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.598 34.388 -20.124 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.213 35.139 -18.424 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.173 36.568 -18.753 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.373 37.546 -20.100 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.432 36.071 -19.996 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.110 36.434 -17.549 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.080 37.892 -17.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.798 38.476 -17.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.456 38.784 -19.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.490 37.410 -18.986 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.369 14.403 -25.695 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.172 13.818 -26.270 1.00 0.00 C ATOM 1590 C LEU B 7 -3.415 12.979 -25.258 1.00 0.00 C ATOM 1591 O LEU B 7 -2.854 11.971 -25.651 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.292 14.855 -26.994 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.583 16.004 -26.244 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.474 17.021 -25.550 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.412 15.603 -25.339 1.00 0.00 C ATOM 0 HA LEU B 7 -4.495 13.130 -27.051 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.515 14.296 -27.516 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.918 15.319 -27.756 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.152 16.519 -27.103 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.855 17.774 -25.062 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.118 17.502 -26.286 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.089 16.517 -24.804 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.995 16.493 -24.867 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.765 14.916 -24.570 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.642 15.114 -25.936 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.372 13.366 -23.980 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.576 12.652 -22.988 1.00 0.00 C ATOM 1609 C LEU B 8 -3.004 11.196 -22.784 1.00 0.00 C ATOM 1610 O LEU B 8 -2.224 10.406 -22.259 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.381 13.447 -21.691 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.560 14.763 -21.760 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.164 14.665 -22.402 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.386 15.960 -22.248 1.00 0.00 C ATOM 0 H LEU B 8 -3.880 14.170 -23.612 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.577 12.570 -23.416 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.368 13.689 -21.296 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.900 12.791 -20.966 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.317 14.961 -20.716 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.311 15.646 -22.392 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.447 13.961 -21.838 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.260 14.319 -23.431 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.757 16.850 -22.275 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.767 15.755 -23.248 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.222 16.127 -21.568 1.00 0.00 H new