USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 517 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 MET CE :methyl -153:sc= -0.515 (180deg=-3.76!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 145:sc= 1.12 (180deg=0.226) USER MOD Set 2.1: A 55 GLN : amide:sc= 0.119 X(o=0.49,f=0.7) USER MOD Set 2.2: A 58 GLN : amide:sc= 0.37 X(o=0.49,f=0.7) USER MOD Set 3.1: A 38 LYS NZ :NH3+ -150:sc= 1.71 (180deg=1.22) USER MOD Set 3.2: A 42 HIS : no HE2:sc= 1.48 K(o=3.2,f=-5!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 44 THR OG1 : rot 67:sc= 1.19 USER MOD Single : A 45 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.075 USER MOD Single : A 52 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.86 X(o=-0.86,f=-1.2) USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 7.059 7.756 -14.934 1.00 0.00 N ATOM 205 CA GLU A 14 5.664 7.518 -14.599 1.00 0.00 C ATOM 206 C GLU A 14 5.220 8.464 -13.481 1.00 0.00 C ATOM 207 O GLU A 14 4.161 9.086 -13.554 1.00 0.00 O ATOM 208 CB GLU A 14 5.480 6.050 -14.178 1.00 0.00 C ATOM 209 CG GLU A 14 5.753 5.030 -15.302 1.00 0.00 C ATOM 210 CD GLU A 14 7.225 4.810 -15.658 1.00 0.00 C ATOM 211 OE1 GLU A 14 8.096 5.255 -14.876 1.00 0.00 O ATOM 212 OE2 GLU A 14 7.457 4.199 -16.722 1.00 0.00 O ATOM 0 HA GLU A 14 5.043 7.713 -15.473 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.145 5.838 -13.341 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.461 5.912 -13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.322 4.072 -15.010 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.227 5.356 -16.199 1.00 0.00 H new ATOM 219 N ALA A 15 6.053 8.576 -12.443 1.00 0.00 N ATOM 220 CA ALA A 15 5.829 9.433 -11.287 1.00 0.00 C ATOM 221 C ALA A 15 5.724 10.899 -11.702 1.00 0.00 C ATOM 222 O ALA A 15 4.987 11.675 -11.097 1.00 0.00 O ATOM 223 CB ALA A 15 7.006 9.272 -10.320 1.00 0.00 C ATOM 0 H ALA A 15 6.928 8.054 -12.387 1.00 0.00 H new ATOM 0 HA ALA A 15 4.893 9.141 -10.811 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.851 9.909 -9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.075 8.232 -10.001 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.930 9.561 -10.821 1.00 0.00 H new ATOM 229 N VAL A 16 6.479 11.256 -12.742 1.00 0.00 N ATOM 230 CA VAL A 16 6.545 12.597 -13.303 1.00 0.00 C ATOM 231 C VAL A 16 5.392 12.770 -14.280 1.00 0.00 C ATOM 232 O VAL A 16 4.900 13.881 -14.429 1.00 0.00 O ATOM 233 CB VAL A 16 7.927 12.847 -13.935 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.933 13.525 -15.306 1.00 0.00 C ATOM 235 CG2 VAL A 16 8.839 13.568 -12.962 1.00 0.00 C ATOM 0 H VAL A 16 7.081 10.593 -13.231 1.00 0.00 H new ATOM 0 HA VAL A 16 6.435 13.351 -12.524 1.00 0.00 H new ATOM 0 HB VAL A 16 8.312 11.848 -14.141 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.961 13.647 -15.647 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.385 12.909 -16.019 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.457 14.503 -15.230 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.810 13.735 -13.429 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.397 14.527 -12.691 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.967 12.962 -12.065 1.00 0.00 H new ATOM 245 N GLN A 17 4.949 11.685 -14.930 1.00 0.00 N ATOM 246 CA GLN A 17 3.840 11.718 -15.867 1.00 0.00 C ATOM 247 C GLN A 17 2.596 12.160 -15.117 1.00 0.00 C ATOM 248 O GLN A 17 1.831 12.971 -15.631 1.00 0.00 O ATOM 249 CB GLN A 17 3.613 10.361 -16.550 1.00 0.00 C ATOM 250 CG GLN A 17 2.711 10.492 -17.787 1.00 0.00 C ATOM 251 CD GLN A 17 2.537 9.154 -18.507 1.00 0.00 C ATOM 252 OE1 GLN A 17 2.857 8.102 -17.961 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.036 9.193 -19.740 1.00 0.00 N ATOM 0 H GLN A 17 5.359 10.758 -14.813 1.00 0.00 H new ATOM 0 HA GLN A 17 4.073 12.424 -16.664 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.573 9.936 -16.843 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.160 9.668 -15.841 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.735 10.873 -17.486 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.140 11.221 -18.474 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.782 10.088 -20.159 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.906 8.328 -20.265 1.00 0.00 H new ATOM 262 N LYS A 18 2.417 11.627 -13.900 1.00 0.00 N ATOM 263 CA LYS A 18 1.265 11.970 -13.075 1.00 0.00 C ATOM 264 C LYS A 18 1.216 13.481 -12.838 1.00 0.00 C ATOM 265 O LYS A 18 0.226 14.132 -13.165 1.00 0.00 O ATOM 266 CB LYS A 18 1.281 11.202 -11.741 1.00 0.00 C ATOM 267 CG LYS A 18 1.313 9.670 -11.881 1.00 0.00 C ATOM 268 CD LYS A 18 0.517 8.971 -10.766 1.00 0.00 C ATOM 269 CE LYS A 18 0.984 9.313 -9.344 1.00 0.00 C ATOM 270 NZ LYS A 18 2.404 8.984 -9.125 1.00 0.00 N ATOM 0 H LYS A 18 3.057 10.959 -13.472 1.00 0.00 H new ATOM 0 HA LYS A 18 0.363 11.673 -13.610 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.151 11.519 -11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.399 11.482 -11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.904 9.386 -12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.347 9.326 -11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.535 9.239 -10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.586 7.893 -10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.827 10.376 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.373 8.770 -8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.672 9.233 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.552 7.966 -9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.992 9.521 -9.794 1.00 0.00 H new ATOM 284 N PHE A 19 2.293 14.031 -12.274 1.00 0.00 N ATOM 285 CA PHE A 19 2.407 15.453 -11.982 1.00 0.00 C ATOM 286 C PHE A 19 2.318 16.309 -13.253 1.00 0.00 C ATOM 287 O PHE A 19 1.657 17.343 -13.262 1.00 0.00 O ATOM 288 CB PHE A 19 3.722 15.719 -11.224 1.00 0.00 C ATOM 289 CG PHE A 19 4.303 17.086 -11.521 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.160 17.237 -12.626 1.00 0.00 C ATOM 291 CD2 PHE A 19 3.974 18.205 -10.733 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.674 18.499 -12.938 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.505 19.469 -11.047 1.00 0.00 C ATOM 294 CZ PHE A 19 5.358 19.607 -12.156 1.00 0.00 C ATOM 0 H PHE A 19 3.117 13.492 -12.006 1.00 0.00 H new ATOM 0 HA PHE A 19 1.566 15.742 -11.352 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.543 15.630 -10.152 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.451 14.954 -11.490 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.420 16.381 -13.231 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.313 18.093 -9.886 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.322 18.616 -13.794 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.259 20.328 -10.440 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.769 20.575 -12.402 1.00 0.00 H new ATOM 304 N PHE A 20 3.009 15.891 -14.317 1.00 0.00 N ATOM 305 CA PHE A 20 3.064 16.617 -15.582 1.00 0.00 C ATOM 306 C PHE A 20 1.629 16.832 -16.060 1.00 0.00 C ATOM 307 O PHE A 20 1.226 17.956 -16.358 1.00 0.00 O ATOM 308 CB PHE A 20 3.918 15.834 -16.581 1.00 0.00 C ATOM 309 CG PHE A 20 3.803 16.237 -18.028 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.479 17.377 -18.488 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.033 15.465 -18.918 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.395 17.748 -19.837 1.00 0.00 C ATOM 313 CE2 PHE A 20 2.953 15.835 -20.269 1.00 0.00 C ATOM 314 CZ PHE A 20 3.637 16.972 -20.725 1.00 0.00 C ATOM 0 H PHE A 20 3.552 15.027 -14.321 1.00 0.00 H new ATOM 0 HA PHE A 20 3.535 17.594 -15.470 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.962 15.928 -16.283 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.657 14.779 -16.499 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.065 17.970 -17.801 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.506 14.592 -18.563 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.912 18.628 -20.191 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.366 15.245 -20.957 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.579 17.251 -21.767 1.00 0.00 H new ATOM 324 N LEU A 21 0.850 15.743 -16.089 1.00 0.00 N ATOM 325 CA LEU A 21 -0.556 15.777 -16.450 1.00 0.00 C ATOM 326 C LEU A 21 -1.325 16.630 -15.451 1.00 0.00 C ATOM 327 O LEU A 21 -2.166 17.422 -15.867 1.00 0.00 O ATOM 328 CB LEU A 21 -1.127 14.347 -16.503 1.00 0.00 C ATOM 329 CG LEU A 21 -1.418 13.791 -17.908 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.627 12.276 -17.779 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.677 14.486 -18.440 1.00 0.00 C ATOM 0 H LEU A 21 1.190 14.809 -15.859 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.661 16.222 -17.440 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.424 13.677 -16.007 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.051 14.324 -15.926 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.598 13.975 -18.602 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.836 11.853 -18.761 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.726 11.818 -17.370 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.468 12.080 -17.113 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.907 14.110 -19.437 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.515 14.282 -17.773 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.506 15.561 -18.489 1.00 0.00 H new ATOM 343 N GLU A 22 -1.037 16.500 -14.151 1.00 0.00 N ATOM 344 CA GLU A 22 -1.710 17.314 -13.148 1.00 0.00 C ATOM 345 C GLU A 22 -1.529 18.801 -13.474 1.00 0.00 C ATOM 346 O GLU A 22 -2.443 19.575 -13.225 1.00 0.00 O ATOM 347 CB GLU A 22 -1.234 16.977 -11.723 1.00 0.00 C ATOM 348 CG GLU A 22 -2.139 17.617 -10.660 1.00 0.00 C ATOM 349 CD GLU A 22 -1.788 17.184 -9.237 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.649 16.713 -9.031 1.00 0.00 O ATOM 351 OE2 GLU A 22 -2.665 17.360 -8.364 1.00 0.00 O ATOM 0 H GLU A 22 -0.350 15.845 -13.778 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.775 17.084 -13.177 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.222 15.895 -11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.210 17.326 -11.588 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.064 18.702 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.176 17.355 -10.868 1.00 0.00 H new ATOM 358 N GLU A 23 -0.380 19.200 -14.041 1.00 0.00 N ATOM 359 CA GLU A 23 -0.083 20.581 -14.397 1.00 0.00 C ATOM 360 C GLU A 23 -0.769 20.959 -15.711 1.00 0.00 C ATOM 361 O GLU A 23 -1.364 22.029 -15.798 1.00 0.00 O ATOM 362 CB GLU A 23 1.428 20.854 -14.376 1.00 0.00 C ATOM 363 CG GLU A 23 1.712 22.065 -13.469 1.00 0.00 C ATOM 364 CD GLU A 23 1.566 21.788 -11.973 1.00 0.00 C ATOM 365 OE1 GLU A 23 1.395 20.609 -11.592 1.00 0.00 O ATOM 366 OE2 GLU A 23 1.625 22.789 -11.226 1.00 0.00 O ATOM 0 H GLU A 23 0.377 18.554 -14.266 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.502 21.242 -13.638 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.963 19.977 -14.010 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.788 21.049 -15.386 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.725 22.418 -13.663 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.035 22.874 -13.743 1.00 0.00 H new ATOM 373 N ILE A 24 -0.717 20.070 -16.716 1.00 0.00 N ATOM 374 CA ILE A 24 -1.395 20.255 -18.010 1.00 0.00 C ATOM 375 C ILE A 24 -2.878 20.576 -17.701 1.00 0.00 C ATOM 376 O ILE A 24 -3.449 21.546 -18.212 1.00 0.00 O ATOM 377 CB ILE A 24 -1.191 19.011 -18.963 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.116 19.167 -20.080 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.482 18.440 -19.573 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.429 18.395 -21.372 1.00 0.00 C ATOM 0 H ILE A 24 -0.198 19.194 -16.653 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.962 21.085 -18.569 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.800 18.288 -18.247 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.009 20.225 -20.320 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.845 18.829 -19.693 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.238 17.590 -20.211 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.149 18.115 -18.774 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.975 19.210 -20.167 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.369 18.558 -22.096 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.506 17.331 -21.150 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.373 18.748 -21.787 1.00 0.00 H new ATOM 392 N GLN A 25 -3.490 19.750 -16.838 1.00 0.00 N ATOM 393 CA GLN A 25 -4.891 19.871 -16.446 1.00 0.00 C ATOM 394 C GLN A 25 -5.149 21.063 -15.525 1.00 0.00 C ATOM 395 O GLN A 25 -6.036 21.865 -15.804 1.00 0.00 O ATOM 396 CB GLN A 25 -5.389 18.548 -15.825 1.00 0.00 C ATOM 397 CG GLN A 25 -5.319 17.305 -16.740 1.00 0.00 C ATOM 398 CD GLN A 25 -5.850 16.062 -16.033 1.00 0.00 C ATOM 399 OE1 GLN A 25 -5.078 15.232 -15.563 1.00 0.00 O ATOM 400 NE2 GLN A 25 -7.174 15.923 -15.962 1.00 0.00 N ATOM 0 H GLN A 25 -3.012 18.969 -16.389 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.466 20.067 -17.351 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.804 18.348 -14.927 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.423 18.684 -15.508 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.898 17.485 -17.646 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.287 17.137 -17.049 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.784 16.635 -16.365 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.577 15.105 -15.505 1.00 0.00 H new ATOM 409 N LEU A 26 -4.383 21.183 -14.439 1.00 0.00 N ATOM 410 CA LEU A 26 -4.490 22.275 -13.461 1.00 0.00 C ATOM 411 C LEU A 26 -4.461 23.606 -14.202 1.00 0.00 C ATOM 412 O LEU A 26 -5.341 24.441 -13.996 1.00 0.00 O ATOM 413 CB LEU A 26 -3.392 22.145 -12.387 1.00 0.00 C ATOM 414 CG LEU A 26 -3.136 23.268 -11.376 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.695 24.603 -11.975 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.342 23.462 -10.475 1.00 0.00 C ATOM 0 H LEU A 26 -3.653 20.509 -14.207 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.438 22.220 -12.925 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.612 21.244 -11.814 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.453 21.968 -12.911 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.280 22.926 -10.794 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.541 25.327 -11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.764 24.465 -12.524 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.465 24.970 -12.653 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.140 24.264 -9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.210 23.724 -11.080 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.543 22.538 -9.932 1.00 0.00 H new ATOM 428 N GLY A 27 -3.468 23.794 -15.077 1.00 0.00 N ATOM 429 CA GLY A 27 -3.339 24.999 -15.878 1.00 0.00 C ATOM 430 C GLY A 27 -4.600 25.176 -16.699 1.00 0.00 C ATOM 431 O GLY A 27 -5.335 26.123 -16.444 1.00 0.00 O ATOM 0 H GLY A 27 -2.732 23.108 -15.245 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.183 25.865 -15.235 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.470 24.927 -16.532 1.00 0.00 H new ATOM 435 N GLU A 28 -4.868 24.288 -17.664 1.00 0.00 N ATOM 436 CA GLU A 28 -6.077 24.420 -18.484 1.00 0.00 C ATOM 437 C GLU A 28 -7.362 24.711 -17.685 1.00 0.00 C ATOM 438 O GLU A 28 -8.213 25.465 -18.152 1.00 0.00 O ATOM 439 CB GLU A 28 -6.180 23.245 -19.452 1.00 0.00 C ATOM 440 CG GLU A 28 -5.035 23.354 -20.471 1.00 0.00 C ATOM 441 CD GLU A 28 -5.264 24.450 -21.510 1.00 0.00 C ATOM 442 OE1 GLU A 28 -6.241 24.307 -22.274 1.00 0.00 O ATOM 443 OE2 GLU A 28 -4.458 25.406 -21.520 1.00 0.00 O ATOM 0 H GLU A 28 -4.279 23.488 -17.893 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.973 25.325 -19.082 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.117 22.301 -18.911 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.144 23.257 -19.962 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.103 23.551 -19.942 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.916 22.397 -20.980 1.00 0.00 H new ATOM 450 N GLU A 29 -7.493 24.162 -16.474 1.00 0.00 N ATOM 451 CA GLU A 29 -8.635 24.410 -15.594 1.00 0.00 C ATOM 452 C GLU A 29 -8.576 25.845 -15.053 1.00 0.00 C ATOM 453 O GLU A 29 -9.581 26.549 -15.051 1.00 0.00 O ATOM 454 CB GLU A 29 -8.687 23.374 -14.465 1.00 0.00 C ATOM 455 CG GLU A 29 -9.886 23.541 -13.524 1.00 0.00 C ATOM 456 CD GLU A 29 -11.202 23.273 -14.240 1.00 0.00 C ATOM 457 OE1 GLU A 29 -11.429 22.100 -14.610 1.00 0.00 O ATOM 458 OE2 GLU A 29 -11.964 24.241 -14.458 1.00 0.00 O ATOM 0 H GLU A 29 -6.802 23.527 -16.075 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.557 24.305 -16.166 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.717 22.376 -14.902 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.768 23.440 -13.882 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.785 22.859 -12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.892 24.552 -13.117 1.00 0.00 H new ATOM 465 N LEU A 30 -7.409 26.317 -14.605 1.00 0.00 N ATOM 466 CA LEU A 30 -7.273 27.689 -14.130 1.00 0.00 C ATOM 467 C LEU A 30 -7.594 28.651 -15.274 1.00 0.00 C ATOM 468 O LEU A 30 -8.241 29.676 -15.068 1.00 0.00 O ATOM 469 CB LEU A 30 -5.856 27.957 -13.589 1.00 0.00 C ATOM 470 CG LEU A 30 -5.634 27.757 -12.079 1.00 0.00 C ATOM 471 CD1 LEU A 30 -4.170 28.091 -11.770 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.514 28.691 -11.231 1.00 0.00 C ATOM 0 H LEU A 30 -6.550 25.768 -14.563 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.973 27.845 -13.309 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.162 27.308 -14.122 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.587 28.984 -13.838 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.891 26.727 -11.833 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.984 27.958 -10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.518 27.428 -12.338 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.966 29.125 -12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.321 28.512 -10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.281 29.728 -11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.565 28.496 -11.446 1.00 0.00 H new ATOM 484 N LEU A 31 -7.168 28.317 -16.492 1.00 0.00 N ATOM 485 CA LEU A 31 -7.451 29.127 -17.674 1.00 0.00 C ATOM 486 C LEU A 31 -8.934 29.049 -17.990 1.00 0.00 C ATOM 487 O LEU A 31 -9.507 30.018 -18.485 1.00 0.00 O ATOM 488 CB LEU A 31 -6.560 28.670 -18.813 1.00 0.00 C ATOM 489 CG LEU A 31 -5.086 29.018 -18.539 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.641 29.279 -17.092 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.252 27.865 -19.070 1.00 0.00 C ATOM 0 H LEU A 31 -6.619 27.480 -16.686 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.224 30.179 -17.500 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.663 27.594 -18.950 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.881 29.142 -19.742 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.945 29.982 -19.029 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.576 29.510 -17.075 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.201 30.121 -16.685 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.830 28.392 -16.488 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.196 28.070 -18.896 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.533 26.946 -18.556 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.428 27.751 -20.140 1.00 0.00 H new ATOM 503 N ALA A 32 -9.565 27.927 -17.635 1.00 0.00 N ATOM 504 CA ALA A 32 -11.004 27.778 -17.754 1.00 0.00 C ATOM 505 C ALA A 32 -11.704 28.813 -16.860 1.00 0.00 C ATOM 506 O ALA A 32 -12.868 29.131 -17.091 1.00 0.00 O ATOM 507 CB ALA A 32 -11.450 26.346 -17.437 1.00 0.00 C ATOM 0 H ALA A 32 -9.090 27.106 -17.260 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.295 27.965 -18.788 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.533 26.272 -17.536 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.974 25.654 -18.132 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.161 26.092 -16.417 1.00 0.00 H new ATOM 513 N GLN A 33 -10.981 29.358 -15.865 1.00 0.00 N ATOM 514 CA GLN A 33 -11.449 30.404 -14.971 1.00 0.00 C ATOM 515 C GLN A 33 -11.033 31.740 -15.595 1.00 0.00 C ATOM 516 O GLN A 33 -11.798 32.701 -15.588 1.00 0.00 O ATOM 517 CB GLN A 33 -10.853 30.196 -13.570 1.00 0.00 C ATOM 518 CG GLN A 33 -11.954 30.138 -12.509 1.00 0.00 C ATOM 519 CD GLN A 33 -11.366 29.994 -11.110 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.509 30.884 -10.277 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.694 28.874 -10.844 1.00 0.00 N ATOM 0 H GLN A 33 -10.025 29.065 -15.664 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.532 30.385 -14.849 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.275 29.272 -13.550 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.164 31.008 -13.340 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.560 31.043 -12.560 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.617 29.298 -12.715 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.596 28.156 -11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.278 28.735 -9.923 1.00 0.00 H new ATOM 530 N GLY A 34 -9.818 31.763 -16.155 1.00 0.00 N ATOM 531 CA GLY A 34 -9.209 32.879 -16.858 1.00 0.00 C ATOM 532 C GLY A 34 -7.816 33.253 -16.351 1.00 0.00 C ATOM 533 O GLY A 34 -7.353 34.348 -16.664 1.00 0.00 O ATOM 0 H GLY A 34 -9.203 30.950 -16.123 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.144 32.634 -17.918 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.861 33.748 -16.771 1.00 0.00 H new ATOM 537 N ASP A 35 -7.133 32.390 -15.581 1.00 0.00 N ATOM 538 CA ASP A 35 -5.811 32.748 -15.045 1.00 0.00 C ATOM 539 C ASP A 35 -4.634 32.408 -15.979 1.00 0.00 C ATOM 540 O ASP A 35 -3.678 31.743 -15.589 1.00 0.00 O ATOM 541 CB ASP A 35 -5.646 32.198 -13.622 1.00 0.00 C ATOM 542 CG ASP A 35 -4.560 32.918 -12.820 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.749 33.648 -13.435 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.551 32.706 -11.589 1.00 0.00 O ATOM 0 H ASP A 35 -7.465 31.461 -15.321 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.775 33.836 -14.988 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.596 32.284 -13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.406 31.136 -13.675 1.00 0.00 H new ATOM 549 N TYR A 36 -4.701 32.887 -17.225 1.00 0.00 N ATOM 550 CA TYR A 36 -3.712 32.741 -18.294 1.00 0.00 C ATOM 551 C TYR A 36 -2.297 33.072 -17.831 1.00 0.00 C ATOM 552 O TYR A 36 -1.348 32.385 -18.208 1.00 0.00 O ATOM 553 CB TYR A 36 -4.164 33.578 -19.503 1.00 0.00 C ATOM 554 CG TYR A 36 -5.609 33.373 -19.921 1.00 0.00 C ATOM 555 CD1 TYR A 36 -5.990 32.188 -20.575 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.574 34.364 -19.663 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.324 31.987 -20.963 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.910 34.164 -20.052 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.286 32.976 -20.702 1.00 0.00 C ATOM 560 OH TYR A 36 -9.581 32.780 -21.081 1.00 0.00 O ATOM 0 H TYR A 36 -5.509 33.427 -17.534 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.661 31.695 -18.595 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.014 34.633 -19.272 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.520 33.343 -20.350 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.251 31.427 -20.780 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.288 35.279 -19.166 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.610 31.073 -21.462 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.649 34.925 -19.851 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.118 33.559 -20.826 1.00 0.00 H new ATOM 570 N GLU A 37 -2.162 34.105 -17.001 1.00 0.00 N ATOM 571 CA GLU A 37 -0.878 34.513 -16.449 1.00 0.00 C ATOM 572 C GLU A 37 -0.254 33.348 -15.686 1.00 0.00 C ATOM 573 O GLU A 37 0.928 33.049 -15.852 1.00 0.00 O ATOM 574 CB GLU A 37 -1.025 35.767 -15.576 1.00 0.00 C ATOM 575 CG GLU A 37 -1.349 37.019 -16.407 1.00 0.00 C ATOM 576 CD GLU A 37 -0.200 37.437 -17.326 1.00 0.00 C ATOM 577 OE1 GLU A 37 0.945 37.530 -16.840 1.00 0.00 O ATOM 578 OE2 GLU A 37 -0.465 37.650 -18.528 1.00 0.00 O ATOM 0 H GLU A 37 -2.945 34.682 -16.693 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.206 34.781 -17.264 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.815 35.606 -14.842 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.102 35.931 -15.020 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.238 36.830 -17.008 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.588 37.843 -15.735 1.00 0.00 H new ATOM 585 N LYS A 38 -1.069 32.673 -14.875 1.00 0.00 N ATOM 586 CA LYS A 38 -0.625 31.505 -14.126 1.00 0.00 C ATOM 587 C LYS A 38 -0.449 30.317 -15.066 1.00 0.00 C ATOM 588 O LYS A 38 0.452 29.508 -14.857 1.00 0.00 O ATOM 589 CB LYS A 38 -1.561 31.174 -12.959 1.00 0.00 C ATOM 590 CG LYS A 38 -1.288 32.039 -11.716 1.00 0.00 C ATOM 591 CD LYS A 38 -0.009 31.634 -10.957 1.00 0.00 C ATOM 592 CE LYS A 38 -0.181 30.319 -10.180 1.00 0.00 C ATOM 593 NZ LYS A 38 1.107 29.637 -9.945 1.00 0.00 N ATOM 0 H LYS A 38 -2.047 32.920 -14.722 1.00 0.00 H new ATOM 0 HA LYS A 38 0.342 31.739 -13.680 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.594 31.316 -13.276 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.450 30.122 -12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.206 33.083 -12.020 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.140 31.970 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.813 31.530 -11.665 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.266 32.429 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.661 30.525 -9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.845 29.656 -10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.953 28.609 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.764 29.858 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.513 29.962 -9.044 1.00 0.00 H new ATOM 607 N GLY A 39 -1.276 30.211 -16.112 1.00 0.00 N ATOM 608 CA GLY A 39 -1.166 29.157 -17.102 1.00 0.00 C ATOM 609 C GLY A 39 0.228 29.101 -17.688 1.00 0.00 C ATOM 610 O GLY A 39 0.761 28.017 -17.886 1.00 0.00 O ATOM 0 H GLY A 39 -2.041 30.862 -16.288 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.410 28.198 -16.645 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.892 29.325 -17.898 1.00 0.00 H new ATOM 614 N VAL A 40 0.818 30.266 -17.963 1.00 0.00 N ATOM 615 CA VAL A 40 2.158 30.330 -18.520 1.00 0.00 C ATOM 616 C VAL A 40 3.132 29.644 -17.561 1.00 0.00 C ATOM 617 O VAL A 40 3.961 28.856 -17.999 1.00 0.00 O ATOM 618 CB VAL A 40 2.558 31.785 -18.849 1.00 0.00 C ATOM 619 CG1 VAL A 40 4.043 31.856 -19.215 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.741 32.362 -20.022 1.00 0.00 C ATOM 0 H VAL A 40 0.383 31.175 -17.807 1.00 0.00 H new ATOM 0 HA VAL A 40 2.190 29.795 -19.469 1.00 0.00 H new ATOM 0 HB VAL A 40 2.353 32.376 -17.957 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.312 32.887 -19.445 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.642 31.503 -18.375 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.234 31.229 -20.086 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.057 33.387 -20.217 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.906 31.756 -20.913 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.681 32.352 -19.767 1.00 0.00 H new ATOM 630 N ASP A 41 3.025 29.923 -16.259 1.00 0.00 N ATOM 631 CA ASP A 41 3.875 29.340 -15.225 1.00 0.00 C ATOM 632 C ASP A 41 3.667 27.826 -15.133 1.00 0.00 C ATOM 633 O ASP A 41 4.613 27.042 -15.205 1.00 0.00 O ATOM 634 CB ASP A 41 3.613 30.046 -13.878 1.00 0.00 C ATOM 635 CG ASP A 41 3.826 29.149 -12.660 1.00 0.00 C ATOM 636 OD1 ASP A 41 4.956 28.643 -12.502 1.00 0.00 O ATOM 637 OD2 ASP A 41 2.841 28.991 -11.903 1.00 0.00 O ATOM 0 H ASP A 41 2.331 30.573 -15.890 1.00 0.00 H new ATOM 0 HA ASP A 41 4.921 29.496 -15.490 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.270 30.912 -13.799 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.589 30.420 -13.868 1.00 0.00 H new ATOM 642 N HIS A 42 2.414 27.416 -14.964 1.00 0.00 N ATOM 643 CA HIS A 42 2.052 26.011 -14.818 1.00 0.00 C ATOM 644 C HIS A 42 2.407 25.216 -16.066 1.00 0.00 C ATOM 645 O HIS A 42 2.790 24.051 -15.970 1.00 0.00 O ATOM 646 CB HIS A 42 0.586 25.864 -14.404 1.00 0.00 C ATOM 647 CG HIS A 42 0.398 26.172 -12.941 1.00 0.00 C ATOM 648 ND1 HIS A 42 0.801 25.310 -11.929 1.00 0.00 N ATOM 649 CD2 HIS A 42 -0.147 27.251 -12.292 1.00 0.00 C ATOM 650 CE1 HIS A 42 0.490 25.891 -10.759 1.00 0.00 C ATOM 651 NE2 HIS A 42 -0.093 27.082 -10.910 1.00 0.00 N ATOM 0 H HIS A 42 1.618 28.052 -14.924 1.00 0.00 H new ATOM 0 HA HIS A 42 2.644 25.582 -14.010 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.032 26.534 -15.001 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.247 24.849 -14.611 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.250 24.403 -12.052 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.563 28.116 -12.787 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.690 25.442 -9.797 1.00 0.00 H new ATOM 659 N LEU A 43 2.318 25.842 -17.241 1.00 0.00 N ATOM 660 CA LEU A 43 2.702 25.164 -18.459 1.00 0.00 C ATOM 661 C LEU A 43 4.225 25.103 -18.440 1.00 0.00 C ATOM 662 O LEU A 43 4.780 24.047 -18.720 1.00 0.00 O ATOM 663 CB LEU A 43 2.149 25.859 -19.713 1.00 0.00 C ATOM 664 CG LEU A 43 1.963 24.841 -20.846 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.594 24.155 -20.738 1.00 0.00 C ATOM 666 CD2 LEU A 43 2.026 25.545 -22.202 1.00 0.00 C ATOM 0 H LEU A 43 1.989 26.799 -17.365 1.00 0.00 H new ATOM 0 HA LEU A 43 2.277 24.161 -18.503 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.196 26.336 -19.483 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.831 26.647 -20.031 1.00 0.00 H new ATOM 0 HG LEU A 43 2.760 24.102 -20.761 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.482 23.437 -21.550 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.522 23.636 -19.782 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.195 24.904 -20.805 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.893 24.813 -22.999 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.235 26.293 -22.261 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.995 26.032 -22.315 1.00 0.00 H new ATOM 678 N THR A 44 4.905 26.207 -18.080 1.00 0.00 N ATOM 679 CA THR A 44 6.368 26.236 -18.014 1.00 0.00 C ATOM 680 C THR A 44 6.894 25.044 -17.200 1.00 0.00 C ATOM 681 O THR A 44 7.901 24.433 -17.553 1.00 0.00 O ATOM 682 CB THR A 44 6.925 27.582 -17.516 1.00 0.00 C ATOM 683 OG1 THR A 44 6.644 28.585 -18.469 1.00 0.00 O ATOM 684 CG2 THR A 44 8.450 27.529 -17.370 1.00 0.00 C ATOM 0 H THR A 44 4.459 27.090 -17.831 1.00 0.00 H new ATOM 0 HA THR A 44 6.740 26.137 -19.034 1.00 0.00 H new ATOM 0 HB THR A 44 6.462 27.794 -16.552 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.676 28.730 -18.515 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.815 28.493 -17.017 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.720 26.754 -16.653 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.900 27.302 -18.336 1.00 0.00 H new ATOM 692 N ASN A 45 6.184 24.707 -16.120 1.00 0.00 N ATOM 693 CA ASN A 45 6.529 23.580 -15.256 1.00 0.00 C ATOM 694 C ASN A 45 6.439 22.275 -16.056 1.00 0.00 C ATOM 695 O ASN A 45 7.349 21.441 -16.015 1.00 0.00 O ATOM 696 CB ASN A 45 5.624 23.539 -14.015 1.00 0.00 C ATOM 697 CG ASN A 45 6.102 24.469 -12.901 1.00 0.00 C ATOM 698 OD1 ASN A 45 6.799 24.034 -11.988 1.00 0.00 O ATOM 699 ND2 ASN A 45 5.726 25.745 -12.959 1.00 0.00 N ATOM 0 H ASN A 45 5.350 25.212 -15.821 1.00 0.00 H new ATOM 0 HA ASN A 45 7.553 23.703 -14.902 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.609 23.815 -14.302 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.581 22.518 -13.636 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.017 26.396 -12.230 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.147 26.071 -13.733 1.00 0.00 H new ATOM 706 N ALA A 46 5.344 22.110 -16.806 1.00 0.00 N ATOM 707 CA ALA A 46 5.135 20.939 -17.641 1.00 0.00 C ATOM 708 C ALA A 46 6.340 20.781 -18.587 1.00 0.00 C ATOM 709 O ALA A 46 6.907 19.695 -18.700 1.00 0.00 O ATOM 710 CB ALA A 46 3.761 21.019 -18.330 1.00 0.00 C ATOM 0 H ALA A 46 4.583 22.788 -16.846 1.00 0.00 H new ATOM 0 HA ALA A 46 5.094 20.024 -17.050 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.615 20.137 -18.953 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.977 21.064 -17.574 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.717 21.913 -18.951 1.00 0.00 H new ATOM 716 N ILE A 47 6.771 21.872 -19.239 1.00 0.00 N ATOM 717 CA ILE A 47 7.941 21.846 -20.121 1.00 0.00 C ATOM 718 C ILE A 47 9.218 21.509 -19.351 1.00 0.00 C ATOM 719 O ILE A 47 10.108 20.852 -19.886 1.00 0.00 O ATOM 720 CB ILE A 47 8.141 23.174 -20.893 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.047 23.447 -21.956 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.539 23.247 -21.540 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.729 23.934 -21.369 1.00 0.00 C ATOM 0 H ILE A 47 6.322 22.785 -19.169 1.00 0.00 H new ATOM 0 HA ILE A 47 7.742 21.060 -20.850 1.00 0.00 H new ATOM 0 HB ILE A 47 8.053 23.959 -20.141 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.417 24.191 -22.662 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.867 22.533 -22.522 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.644 24.192 -22.073 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.303 23.181 -20.765 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.660 22.420 -22.240 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.013 24.103 -22.173 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.335 23.182 -20.685 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.894 24.866 -20.828 1.00 0.00 H new ATOM 735 N ALA A 48 9.316 21.980 -18.109 1.00 0.00 N ATOM 736 CA ALA A 48 10.486 21.804 -17.265 1.00 0.00 C ATOM 737 C ALA A 48 10.719 20.340 -16.953 1.00 0.00 C ATOM 738 O ALA A 48 11.865 19.922 -16.805 1.00 0.00 O ATOM 739 CB ALA A 48 10.399 22.650 -15.992 1.00 0.00 C ATOM 0 H ALA A 48 8.567 22.504 -17.657 1.00 0.00 H new ATOM 0 HA ALA A 48 11.351 22.162 -17.823 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.292 22.491 -15.388 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.325 23.704 -16.260 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.518 22.358 -15.421 1.00 0.00 H new ATOM 745 N VAL A 49 9.635 19.565 -16.873 1.00 0.00 N ATOM 746 CA VAL A 49 9.739 18.147 -16.591 1.00 0.00 C ATOM 747 C VAL A 49 9.638 17.311 -17.867 1.00 0.00 C ATOM 748 O VAL A 49 10.015 16.141 -17.843 1.00 0.00 O ATOM 749 CB VAL A 49 8.702 17.751 -15.537 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.827 18.682 -14.328 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.254 17.750 -16.037 1.00 0.00 C ATOM 0 H VAL A 49 8.681 19.902 -17.000 1.00 0.00 H new ATOM 0 HA VAL A 49 10.726 17.938 -16.179 1.00 0.00 H new ATOM 0 HB VAL A 49 8.924 16.718 -15.268 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.090 18.402 -13.576 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.828 18.596 -13.905 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.653 19.711 -14.642 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.589 17.458 -15.225 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.988 18.749 -16.383 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.154 17.043 -16.860 1.00 0.00 H new ATOM 761 N CYS A 50 9.148 17.887 -18.973 1.00 0.00 N ATOM 762 CA CYS A 50 9.032 17.154 -20.230 1.00 0.00 C ATOM 763 C CYS A 50 10.329 17.250 -21.033 1.00 0.00 C ATOM 764 O CYS A 50 10.868 16.231 -21.457 1.00 0.00 O ATOM 765 CB CYS A 50 7.822 17.657 -21.012 1.00 0.00 C ATOM 766 SG CYS A 50 7.751 16.859 -22.634 1.00 0.00 S ATOM 0 H CYS A 50 8.828 18.855 -19.018 1.00 0.00 H new ATOM 0 HA CYS A 50 8.872 16.096 -20.021 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.908 17.449 -20.456 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.882 18.739 -21.133 1.00 0.00 H new ATOM 0 HG CYS A 50 6.715 17.295 -23.287 1.00 0.00 H new ATOM 772 N GLY A 51 10.835 18.470 -21.250 1.00 0.00 N ATOM 773 CA GLY A 51 12.065 18.700 -22.000 1.00 0.00 C ATOM 774 C GLY A 51 11.862 18.645 -23.518 1.00 0.00 C ATOM 775 O GLY A 51 12.821 18.788 -24.272 1.00 0.00 O ATOM 0 H GLY A 51 10.398 19.325 -20.907 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.472 19.674 -21.729 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.805 17.954 -21.711 1.00 0.00 H new ATOM 779 N GLN A 52 10.618 18.455 -23.967 1.00 0.00 N ATOM 780 CA GLN A 52 10.222 18.395 -25.370 1.00 0.00 C ATOM 781 C GLN A 52 9.008 19.315 -25.502 1.00 0.00 C ATOM 782 O GLN A 52 7.903 18.839 -25.770 1.00 0.00 O ATOM 783 CB GLN A 52 9.941 16.931 -25.750 1.00 0.00 C ATOM 784 CG GLN A 52 9.790 16.746 -27.266 1.00 0.00 C ATOM 785 CD GLN A 52 11.086 17.004 -28.028 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.188 17.982 -28.764 1.00 0.00 O ATOM 787 NE2 GLN A 52 12.080 16.133 -27.857 1.00 0.00 N ATOM 0 H GLN A 52 9.828 18.334 -23.333 1.00 0.00 H new ATOM 0 HA GLN A 52 10.996 18.734 -26.059 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.753 16.301 -25.388 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.031 16.596 -25.252 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.450 15.731 -27.471 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.018 17.421 -27.634 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.956 15.333 -27.237 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.965 16.266 -28.346 1.00 0.00 H new ATOM 796 N PRO A 53 9.186 20.636 -25.300 1.00 0.00 N ATOM 797 CA PRO A 53 8.090 21.580 -25.375 1.00 0.00 C ATOM 798 C PRO A 53 7.326 21.501 -26.687 1.00 0.00 C ATOM 799 O PRO A 53 6.120 21.333 -26.680 1.00 0.00 O ATOM 800 CB PRO A 53 8.705 22.973 -25.188 1.00 0.00 C ATOM 801 CG PRO A 53 10.191 22.779 -25.470 1.00 0.00 C ATOM 802 CD PRO A 53 10.417 21.355 -24.975 1.00 0.00 C ATOM 0 HA PRO A 53 7.356 21.351 -24.602 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.263 23.697 -25.873 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.539 23.347 -24.178 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.424 22.886 -26.529 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.807 23.501 -24.934 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.279 20.901 -25.463 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.612 21.337 -23.903 1.00 0.00 H new ATOM 810 N GLN A 54 8.036 21.647 -27.799 1.00 0.00 N ATOM 811 CA GLN A 54 7.489 21.687 -29.150 1.00 0.00 C ATOM 812 C GLN A 54 6.592 20.500 -29.494 1.00 0.00 C ATOM 813 O GLN A 54 5.535 20.701 -30.092 1.00 0.00 O ATOM 814 CB GLN A 54 8.615 21.913 -30.175 1.00 0.00 C ATOM 815 CG GLN A 54 9.460 23.177 -29.907 1.00 0.00 C ATOM 816 CD GLN A 54 10.331 23.530 -31.110 1.00 0.00 C ATOM 817 OE1 GLN A 54 10.073 24.511 -31.801 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.373 22.739 -31.364 1.00 0.00 N ATOM 0 H GLN A 54 9.051 21.745 -27.784 1.00 0.00 H new ATOM 0 HA GLN A 54 6.814 22.542 -29.196 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.271 21.043 -30.177 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.178 21.985 -31.171 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.802 24.014 -29.674 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.092 23.016 -29.033 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.558 21.932 -30.768 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.986 22.941 -32.154 1.00 0.00 H new ATOM 827 N GLN A 55 6.974 19.274 -29.117 1.00 0.00 N ATOM 828 CA GLN A 55 6.112 18.129 -29.404 1.00 0.00 C ATOM 829 C GLN A 55 4.795 18.308 -28.657 1.00 0.00 C ATOM 830 O GLN A 55 3.713 18.163 -29.223 1.00 0.00 O ATOM 831 CB GLN A 55 6.778 16.788 -29.070 1.00 0.00 C ATOM 832 CG GLN A 55 5.907 15.590 -29.486 1.00 0.00 C ATOM 833 CD GLN A 55 5.520 15.619 -30.965 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.341 15.697 -31.303 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.512 15.570 -31.854 1.00 0.00 N ATOM 0 H GLN A 55 7.843 19.056 -28.630 1.00 0.00 H new ATOM 0 HA GLN A 55 5.922 18.097 -30.477 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.742 16.727 -29.574 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.975 16.738 -27.999 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.445 14.666 -29.275 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.002 15.578 -28.879 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.479 15.505 -31.536 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.304 15.597 -32.852 1.00 0.00 H new ATOM 844 N LEU A 56 4.907 18.659 -27.375 1.00 0.00 N ATOM 845 CA LEU A 56 3.754 18.917 -26.542 1.00 0.00 C ATOM 846 C LEU A 56 2.976 20.101 -27.111 1.00 0.00 C ATOM 847 O LEU A 56 1.760 20.090 -27.064 1.00 0.00 O ATOM 848 CB LEU A 56 4.174 19.162 -25.078 1.00 0.00 C ATOM 849 CG LEU A 56 2.994 19.544 -24.172 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.027 18.364 -24.016 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.518 20.036 -22.818 1.00 0.00 C ATOM 0 H LEU A 56 5.801 18.769 -26.896 1.00 0.00 H new ATOM 0 HA LEU A 56 3.105 18.041 -26.542 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.649 18.263 -24.687 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.920 19.956 -25.048 1.00 0.00 H new ATOM 0 HG LEU A 56 2.434 20.358 -24.633 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.198 18.656 -23.371 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.641 18.078 -24.995 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.553 17.519 -23.572 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.677 20.306 -22.179 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.096 19.244 -22.342 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.154 20.909 -22.969 1.00 0.00 H new ATOM 863 N LEU A 57 3.625 21.129 -27.658 1.00 0.00 N ATOM 864 CA LEU A 57 2.915 22.273 -28.209 1.00 0.00 C ATOM 865 C LEU A 57 2.083 21.853 -29.404 1.00 0.00 C ATOM 866 O LEU A 57 0.980 22.359 -29.573 1.00 0.00 O ATOM 867 CB LEU A 57 3.846 23.441 -28.551 1.00 0.00 C ATOM 868 CG LEU A 57 4.494 24.136 -27.339 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.450 25.206 -27.870 1.00 0.00 C ATOM 870 CD2 LEU A 57 3.425 24.765 -26.420 1.00 0.00 C ATOM 0 H LEU A 57 4.641 21.189 -27.729 1.00 0.00 H new ATOM 0 HA LEU A 57 2.245 22.642 -27.433 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.637 23.075 -29.206 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.281 24.182 -29.116 1.00 0.00 H new ATOM 0 HG LEU A 57 5.038 23.406 -26.739 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.925 25.717 -27.033 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.214 24.736 -28.490 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.893 25.928 -28.467 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.912 25.248 -25.573 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.853 25.505 -26.980 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.754 23.987 -26.057 1.00 0.00 H new ATOM 882 N GLN A 58 2.576 20.912 -30.211 1.00 0.00 N ATOM 883 CA GLN A 58 1.791 20.415 -31.328 1.00 0.00 C ATOM 884 C GLN A 58 0.560 19.735 -30.737 1.00 0.00 C ATOM 885 O GLN A 58 -0.563 20.025 -31.142 1.00 0.00 O ATOM 886 CB GLN A 58 2.618 19.466 -32.214 1.00 0.00 C ATOM 887 CG GLN A 58 1.752 18.775 -33.278 1.00 0.00 C ATOM 888 CD GLN A 58 2.580 17.916 -34.228 1.00 0.00 C ATOM 889 OE1 GLN A 58 2.609 18.172 -35.428 1.00 0.00 O ATOM 890 NE2 GLN A 58 3.248 16.882 -33.714 1.00 0.00 N ATOM 0 H GLN A 58 3.499 20.489 -30.111 1.00 0.00 H new ATOM 0 HA GLN A 58 1.485 21.229 -31.985 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.414 20.027 -32.703 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.097 18.712 -31.590 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.004 18.152 -32.787 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.212 19.529 -33.850 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.205 16.694 -32.712 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.802 16.279 -34.323 1.00 0.00 H new ATOM 899 N VAL A 59 0.784 18.843 -29.767 1.00 0.00 N ATOM 900 CA VAL A 59 -0.281 18.103 -29.105 1.00 0.00 C ATOM 901 C VAL A 59 -1.333 19.010 -28.472 1.00 0.00 C ATOM 902 O VAL A 59 -2.528 18.734 -28.556 1.00 0.00 O ATOM 903 CB VAL A 59 0.293 17.076 -28.094 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.145 17.371 -26.584 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.399 15.756 -28.282 1.00 0.00 C ATOM 0 H VAL A 59 1.717 18.617 -29.421 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.804 17.544 -29.881 1.00 0.00 H new ATOM 0 HB VAL A 59 1.358 17.106 -28.324 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.595 16.562 -26.009 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.647 18.308 -26.345 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.912 17.451 -26.331 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.001 15.031 -27.573 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.469 15.878 -28.111 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.233 15.400 -29.299 1.00 0.00 H new ATOM 915 N LEU A 60 -0.865 20.076 -27.825 1.00 0.00 N ATOM 916 CA LEU A 60 -1.627 21.041 -27.082 1.00 0.00 C ATOM 917 C LEU A 60 -2.280 22.060 -28.025 1.00 0.00 C ATOM 918 O LEU A 60 -3.310 22.628 -27.679 1.00 0.00 O ATOM 919 CB LEU A 60 -0.673 21.558 -26.006 1.00 0.00 C ATOM 920 CG LEU A 60 -1.106 22.797 -25.271 1.00 0.00 C ATOM 921 CD1 LEU A 60 -2.501 22.703 -24.608 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.110 22.963 -24.140 1.00 0.00 C ATOM 0 H LEU A 60 0.132 20.291 -27.814 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.503 20.644 -26.568 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.518 20.764 -25.276 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.293 21.756 -26.471 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.152 23.613 -25.993 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.727 23.642 -24.102 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.255 22.511 -25.372 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.505 21.890 -23.882 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.364 23.850 -23.559 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.142 22.085 -23.495 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.893 23.074 -24.552 1.00 0.00 H new ATOM 934 N GLN A 61 -1.725 22.284 -29.225 1.00 0.00 N ATOM 935 CA GLN A 61 -2.293 23.222 -30.188 1.00 0.00 C ATOM 936 C GLN A 61 -3.341 22.539 -31.067 1.00 0.00 C ATOM 937 O GLN A 61 -4.283 23.192 -31.510 1.00 0.00 O ATOM 938 CB GLN A 61 -1.170 23.857 -31.032 1.00 0.00 C ATOM 939 CG GLN A 61 -1.631 24.826 -32.136 1.00 0.00 C ATOM 940 CD GLN A 61 -0.450 25.620 -32.689 1.00 0.00 C ATOM 941 OE1 GLN A 61 -0.072 25.458 -33.845 1.00 0.00 O ATOM 942 NE2 GLN A 61 0.141 26.485 -31.863 1.00 0.00 N ATOM 0 H GLN A 61 -0.876 21.821 -29.548 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.801 24.018 -29.644 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.496 24.392 -30.363 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.592 23.057 -31.494 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.108 24.267 -32.941 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.380 25.510 -31.736 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.201 26.593 -30.908 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.935 27.038 -32.186 1.00 0.00 H new ATOM 951 N GLN A 62 -3.178 21.234 -31.329 1.00 0.00 N ATOM 952 CA GLN A 62 -4.094 20.476 -32.171 1.00 0.00 C ATOM 953 C GLN A 62 -5.305 19.970 -31.391 1.00 0.00 C ATOM 954 O GLN A 62 -6.353 19.731 -31.985 1.00 0.00 O ATOM 955 CB GLN A 62 -3.356 19.405 -32.996 1.00 0.00 C ATOM 956 CG GLN A 62 -2.914 18.086 -32.354 1.00 0.00 C ATOM 957 CD GLN A 62 -4.035 17.223 -31.785 1.00 0.00 C ATOM 958 OE1 GLN A 62 -4.866 16.711 -32.528 1.00 0.00 O ATOM 959 NE2 GLN A 62 -4.049 17.033 -30.466 1.00 0.00 N ATOM 0 H GLN A 62 -2.405 20.681 -30.959 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.516 21.155 -32.912 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.999 19.151 -33.839 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.463 19.876 -33.407 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.373 17.503 -33.099 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.210 18.310 -31.553 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.341 17.475 -29.879 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.767 16.445 -30.043 1.00 0.00 H new ATOM 968 N THR A 63 -5.173 19.823 -30.067 1.00 0.00 N ATOM 969 CA THR A 63 -6.275 19.362 -29.236 1.00 0.00 C ATOM 970 C THR A 63 -7.233 20.516 -28.963 1.00 0.00 C ATOM 971 O THR A 63 -8.446 20.312 -28.944 1.00 0.00 O ATOM 972 CB THR A 63 -5.776 18.692 -27.946 1.00 0.00 C ATOM 973 OG1 THR A 63 -6.853 18.059 -27.288 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.121 19.686 -26.991 1.00 0.00 C ATOM 0 H THR A 63 -4.312 20.018 -29.555 1.00 0.00 H new ATOM 0 HA THR A 63 -6.823 18.591 -29.777 1.00 0.00 H new ATOM 0 HB THR A 63 -5.022 17.960 -28.235 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.691 18.058 -26.322 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.786 19.163 -26.095 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.266 20.152 -27.481 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.843 20.454 -26.714 1.00 0.00 H new ATOM 982 N LEU A 64 -6.687 21.719 -28.749 1.00 0.00 N ATOM 983 CA LEU A 64 -7.453 22.925 -28.449 1.00 0.00 C ATOM 984 C LEU A 64 -6.663 24.166 -28.865 1.00 0.00 C ATOM 985 O LEU A 64 -5.436 24.127 -28.840 1.00 0.00 O ATOM 986 CB LEU A 64 -7.678 23.031 -26.925 1.00 0.00 C ATOM 987 CG LEU A 64 -8.570 21.961 -26.274 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.575 22.182 -24.758 1.00 0.00 C ATOM 989 CD2 LEU A 64 -10.015 22.025 -26.777 1.00 0.00 C ATOM 0 H LEU A 64 -5.680 21.880 -28.781 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.399 22.868 -28.987 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.704 23.003 -26.436 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.113 24.008 -26.714 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.164 20.984 -26.537 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.204 21.430 -24.283 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.558 22.099 -24.375 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.966 23.175 -24.536 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.605 21.250 -26.288 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.438 23.003 -26.546 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.032 21.868 -27.855 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.333 25.281 -29.208 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.665 26.530 -29.540 1.00 0.00 C ATOM 1003 C PRO A 65 -6.054 27.048 -28.224 1.00 0.00 C ATOM 1004 O PRO A 65 -6.803 27.269 -27.277 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.767 27.451 -30.073 1.00 0.00 C ATOM 1006 CG PRO A 65 -9.037 26.937 -29.395 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.780 25.436 -29.262 1.00 0.00 C ATOM 0 HA PRO A 65 -5.873 26.450 -30.284 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.573 28.493 -29.820 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.843 27.395 -31.159 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.193 27.406 -28.424 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.924 27.142 -29.994 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.249 25.038 -28.362 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.200 24.892 -30.108 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.724 27.206 -28.116 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.056 27.607 -26.885 1.00 0.00 C ATOM 1017 C PRO A 66 -3.841 29.127 -26.738 1.00 0.00 C ATOM 1018 O PRO A 66 -2.865 29.654 -27.273 1.00 0.00 O ATOM 1019 CB PRO A 66 -2.725 26.859 -26.975 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.377 26.930 -28.466 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.743 26.930 -29.156 1.00 0.00 C ATOM 0 HA PRO A 66 -4.655 27.367 -26.007 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.957 27.330 -26.361 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.820 25.828 -26.633 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.809 27.830 -28.702 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.771 26.079 -28.777 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.783 27.687 -29.940 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.939 25.969 -29.631 1.00 0.00 H new ATOM 1029 N PRO A 67 -4.691 29.867 -25.999 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.498 31.299 -25.789 1.00 0.00 C ATOM 1031 C PRO A 67 -3.330 31.569 -24.836 1.00 0.00 C ATOM 1032 O PRO A 67 -2.790 32.672 -24.809 1.00 0.00 O ATOM 1033 CB PRO A 67 -5.805 31.793 -25.170 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.275 30.580 -24.370 1.00 0.00 C ATOM 1035 CD PRO A 67 -5.878 29.421 -25.284 1.00 0.00 C ATOM 0 HA PRO A 67 -4.260 31.808 -26.723 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.648 32.663 -24.532 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.530 32.082 -25.931 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.786 30.518 -23.398 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.349 30.604 -24.186 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.671 28.521 -24.706 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.683 29.176 -25.977 1.00 0.00 H new ATOM 1043 N VAL A 68 -2.933 30.561 -24.057 1.00 0.00 N ATOM 1044 CA VAL A 68 -1.820 30.674 -23.130 1.00 0.00 C ATOM 1045 C VAL A 68 -0.524 30.617 -23.909 1.00 0.00 C ATOM 1046 O VAL A 68 0.332 31.456 -23.690 1.00 0.00 O ATOM 1047 CB VAL A 68 -1.876 29.608 -22.034 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -0.534 29.508 -21.309 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -2.945 30.049 -21.043 1.00 0.00 C ATOM 0 H VAL A 68 -3.379 29.644 -24.056 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.884 31.633 -22.615 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.101 28.633 -22.467 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.595 28.744 -20.534 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.246 29.239 -22.022 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.294 30.469 -20.854 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.021 29.316 -20.240 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.676 31.019 -20.625 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.905 30.128 -21.554 1.00 0.00 H new ATOM 1059 N PHE A 69 -0.385 29.645 -24.808 1.00 0.00 N ATOM 1060 CA PHE A 69 0.793 29.487 -25.655 1.00 0.00 C ATOM 1061 C PHE A 69 1.270 30.830 -26.219 1.00 0.00 C ATOM 1062 O PHE A 69 2.449 31.161 -26.105 1.00 0.00 O ATOM 1063 CB PHE A 69 0.485 28.486 -26.771 1.00 0.00 C ATOM 1064 CG PHE A 69 1.506 28.477 -27.886 1.00 0.00 C ATOM 1065 CD1 PHE A 69 2.854 28.206 -27.600 1.00 0.00 C ATOM 1066 CD2 PHE A 69 1.106 28.754 -29.206 1.00 0.00 C ATOM 1067 CE1 PHE A 69 3.802 28.219 -28.637 1.00 0.00 C ATOM 1068 CE2 PHE A 69 2.055 28.763 -30.242 1.00 0.00 C ATOM 1069 CZ PHE A 69 3.404 28.496 -29.956 1.00 0.00 C ATOM 0 H PHE A 69 -1.099 28.935 -24.970 1.00 0.00 H new ATOM 0 HA PHE A 69 1.611 29.099 -25.048 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.422 27.486 -26.341 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.495 28.715 -27.191 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.161 27.989 -26.588 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.068 28.960 -29.423 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.840 28.015 -28.420 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.748 28.975 -31.256 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.136 28.504 -30.750 1.00 0.00 H new ATOM 1079 N GLN A 70 0.359 31.607 -26.810 1.00 0.00 N ATOM 1080 CA GLN A 70 0.717 32.907 -27.384 1.00 0.00 C ATOM 1081 C GLN A 70 1.237 33.877 -26.318 1.00 0.00 C ATOM 1082 O GLN A 70 2.091 34.713 -26.602 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.416 33.505 -28.225 1.00 0.00 C ATOM 1084 CG GLN A 70 -1.689 33.730 -27.411 1.00 0.00 C ATOM 1085 CD GLN A 70 -2.774 34.422 -28.227 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -3.767 33.805 -28.602 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -2.592 35.713 -28.502 1.00 0.00 N ATOM 0 H GLN A 70 -0.626 31.361 -26.904 1.00 0.00 H new ATOM 0 HA GLN A 70 1.542 32.732 -28.074 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -0.088 34.453 -28.650 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.635 32.840 -29.060 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.063 32.772 -27.050 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.456 34.332 -26.533 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.753 36.191 -28.173 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.291 36.223 -29.042 1.00 0.00 H new ATOM 1096 N MET A 71 0.748 33.755 -25.079 1.00 0.00 N ATOM 1097 CA MET A 71 1.207 34.559 -23.966 1.00 0.00 C ATOM 1098 C MET A 71 2.546 33.995 -23.521 1.00 0.00 C ATOM 1099 O MET A 71 3.405 34.757 -23.113 1.00 0.00 O ATOM 1100 CB MET A 71 0.272 34.541 -22.759 1.00 0.00 C ATOM 1101 CG MET A 71 -1.120 35.146 -22.971 1.00 0.00 C ATOM 1102 SD MET A 71 -1.656 36.252 -21.637 1.00 0.00 S ATOM 1103 CE MET A 71 -1.325 35.222 -20.186 1.00 0.00 C ATOM 0 H MET A 71 0.018 33.088 -24.830 1.00 0.00 H new ATOM 0 HA MET A 71 1.260 35.591 -24.312 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.150 33.507 -22.436 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.757 35.076 -21.942 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.125 35.698 -23.911 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.844 34.338 -23.072 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.997 35.507 -19.377 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.486 34.174 -20.439 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.292 35.364 -19.867 1.00 0.00 H new ATOM 1113 N LEU A 72 2.751 32.677 -23.605 1.00 0.00 N ATOM 1114 CA LEU A 72 4.011 32.045 -23.262 1.00 0.00 C ATOM 1115 C LEU A 72 5.084 32.742 -24.087 1.00 0.00 C ATOM 1116 O LEU A 72 6.140 33.113 -23.580 1.00 0.00 O ATOM 1117 CB LEU A 72 3.949 30.538 -23.558 1.00 0.00 C ATOM 1118 CG LEU A 72 4.573 29.614 -22.503 1.00 0.00 C ATOM 1119 CD1 LEU A 72 4.657 28.246 -23.154 1.00 0.00 C ATOM 1120 CD2 LEU A 72 5.990 30.012 -22.068 1.00 0.00 C ATOM 0 H LEU A 72 2.035 32.020 -23.917 1.00 0.00 H new ATOM 0 HA LEU A 72 4.234 32.140 -22.199 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.904 30.256 -23.685 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.446 30.355 -24.511 1.00 0.00 H new ATOM 0 HG LEU A 72 3.956 29.657 -21.605 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.095 27.536 -22.453 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.657 27.913 -23.431 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.280 28.305 -24.047 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.353 29.306 -21.322 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.653 29.999 -22.933 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.971 31.014 -21.640 1.00 0.00 H new ATOM 1132 N LEU A 73 4.762 32.951 -25.366 1.00 0.00 N ATOM 1133 CA LEU A 73 5.653 33.629 -26.297 1.00 0.00 C ATOM 1134 C LEU A 73 5.898 35.084 -25.934 1.00 0.00 C ATOM 1135 O LEU A 73 6.939 35.625 -26.298 1.00 0.00 O ATOM 1136 CB LEU A 73 5.130 33.602 -27.734 1.00 0.00 C ATOM 1137 CG LEU A 73 4.735 32.249 -28.333 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.369 32.538 -29.782 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.831 31.187 -28.208 1.00 0.00 C ATOM 0 H LEU A 73 3.878 32.654 -25.780 1.00 0.00 H new ATOM 0 HA LEU A 73 6.586 33.071 -26.225 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.259 34.256 -27.784 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.895 34.040 -28.375 1.00 0.00 H new ATOM 0 HG LEU A 73 3.898 31.815 -27.786 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.075 31.611 -30.275 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.540 33.245 -29.814 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.230 32.965 -30.296 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.485 30.254 -28.652 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.727 31.526 -28.728 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.062 31.024 -27.155 1.00 0.00 H new ATOM 1151 N THR A 74 4.953 35.713 -25.234 1.00 0.00 N ATOM 1152 CA THR A 74 5.082 37.100 -24.817 1.00 0.00 C ATOM 1153 C THR A 74 5.713 37.203 -23.428 1.00 0.00 C ATOM 1154 O THR A 74 6.248 38.257 -23.088 1.00 0.00 O ATOM 1155 CB THR A 74 3.793 37.909 -25.030 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.127 39.239 -25.361 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.914 37.978 -23.794 1.00 0.00 C ATOM 0 H THR A 74 4.080 35.272 -24.943 1.00 0.00 H new ATOM 0 HA THR A 74 5.790 37.595 -25.481 1.00 0.00 H new ATOM 0 HB THR A 74 3.245 37.399 -25.822 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.307 39.758 -25.499 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.022 38.564 -24.014 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.623 36.970 -23.498 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.466 38.450 -22.981 1.00 0.00 H new ATOM 1165 N LYS A 75 5.663 36.123 -22.632 1.00 0.00 N ATOM 1166 CA LYS A 75 6.232 36.093 -21.294 1.00 0.00 C ATOM 1167 C LYS A 75 7.725 35.752 -21.354 1.00 0.00 C ATOM 1168 O LYS A 75 8.506 36.310 -20.587 1.00 0.00 O ATOM 1169 CB LYS A 75 5.446 35.091 -20.437 1.00 0.00 C ATOM 1170 CG LYS A 75 4.842 35.661 -19.150 1.00 0.00 C ATOM 1171 CD LYS A 75 3.826 36.810 -19.250 1.00 0.00 C ATOM 1172 CE LYS A 75 2.657 36.512 -20.193 1.00 0.00 C ATOM 1173 NZ LYS A 75 1.638 37.581 -20.172 1.00 0.00 N ATOM 0 H LYS A 75 5.222 35.246 -22.909 1.00 0.00 H new ATOM 0 HA LYS A 75 6.150 37.077 -20.832 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.641 34.673 -21.042 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.108 34.266 -20.174 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.359 34.839 -18.621 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.665 36.003 -18.523 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.434 37.026 -18.256 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.339 37.709 -19.593 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.033 36.391 -21.209 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.195 35.566 -19.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.231 37.691 -21.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.885 37.330 -19.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.079 38.476 -19.878 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.702 13.460 -25.307 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.457 13.206 -26.004 1.00 0.00 C ATOM 1590 C LEU B 7 -3.505 12.413 -25.121 1.00 0.00 C ATOM 1591 O LEU B 7 -2.932 11.459 -25.612 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.803 14.503 -26.514 1.00 0.00 C ATOM 1593 CG LEU B 7 -3.395 15.492 -25.404 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -1.916 15.359 -25.034 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -3.612 16.942 -25.795 1.00 0.00 C ATOM 0 HA LEU B 7 -4.688 12.607 -26.885 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.918 14.244 -27.096 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.496 15.002 -27.192 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.035 15.232 -24.561 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.672 16.074 -24.249 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.720 14.348 -24.678 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -1.302 15.560 -25.912 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.307 17.590 -24.973 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.018 17.173 -26.679 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.667 17.106 -26.013 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.311 12.788 -23.849 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.343 12.135 -22.969 1.00 0.00 C ATOM 1609 C LEU B 8 -2.581 10.633 -22.797 1.00 0.00 C ATOM 1610 O LEU B 8 -1.659 9.922 -22.405 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.122 12.874 -21.642 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.453 14.276 -21.669 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.105 14.384 -22.410 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.426 15.419 -21.984 1.00 0.00 C ATOM 0 H LEU B 8 -3.822 13.552 -23.406 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.393 12.210 -23.498 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.093 12.981 -21.158 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.516 12.231 -21.003 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.156 14.412 -20.629 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.258 15.410 -22.357 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.621 13.718 -21.943 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.240 14.100 -23.454 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.887 16.366 -21.985 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.874 15.255 -22.964 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.210 15.449 -21.227 1.00 0.00 H new