USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=8 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 55 GLN : amide:sc= 0.205 K(o=0.66,f=-0.11) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.453 K(o=0.66,f=-0.12) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -159:sc= 1.42 (180deg=1.21) USER MOD Set 2.2: A 42 HIS : no HE2:sc= 0.767 K(o=2.2,f=-3.8!) USER MOD Single : A 17 GLN : amide:sc= -0.132 X(o=-0.13,f=0.19) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0777 X(o=-0.078,f=0) USER MOD Single : A 33 GLN : amide:sc=-0.00579 X(o=-0.0058,f=-0.0058) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 45 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0866 USER MOD Single : A 52 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0196 USER MOD Single : A 70 GLN : amide:sc= 0.661 K(o=0.66,f=0) USER MOD Single : A 71 MET CE :methyl -159:sc= -1.74! (180deg=-3.42!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.188 7.172 -14.597 1.00 0.00 N ATOM 205 CA GLU A 14 4.813 7.285 -14.128 1.00 0.00 C ATOM 206 C GLU A 14 4.660 8.456 -13.151 1.00 0.00 C ATOM 207 O GLU A 14 3.633 9.137 -13.142 1.00 0.00 O ATOM 208 CB GLU A 14 4.392 5.962 -13.480 1.00 0.00 C ATOM 209 CG GLU A 14 4.436 4.806 -14.491 1.00 0.00 C ATOM 210 CD GLU A 14 4.084 3.469 -13.845 1.00 0.00 C ATOM 211 OE1 GLU A 14 3.244 3.482 -12.919 1.00 0.00 O ATOM 212 OE2 GLU A 14 4.665 2.456 -14.292 1.00 0.00 O ATOM 0 HA GLU A 14 4.159 7.488 -14.976 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.051 5.739 -12.641 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.384 6.057 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.741 5.010 -15.305 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.432 4.746 -14.930 1.00 0.00 H new ATOM 219 N ALA A 15 5.693 8.701 -12.337 1.00 0.00 N ATOM 220 CA ALA A 15 5.718 9.789 -11.363 1.00 0.00 C ATOM 221 C ALA A 15 5.865 11.139 -12.061 1.00 0.00 C ATOM 222 O ALA A 15 5.517 12.175 -11.494 1.00 0.00 O ATOM 223 CB ALA A 15 6.884 9.605 -10.391 1.00 0.00 C ATOM 0 H ALA A 15 6.545 8.140 -12.339 1.00 0.00 H new ATOM 0 HA ALA A 15 4.775 9.768 -10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.890 10.423 -9.671 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.772 8.658 -9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.823 9.602 -10.945 1.00 0.00 H new ATOM 229 N VAL A 16 6.382 11.115 -13.290 1.00 0.00 N ATOM 230 CA VAL A 16 6.582 12.295 -14.112 1.00 0.00 C ATOM 231 C VAL A 16 5.317 12.494 -14.939 1.00 0.00 C ATOM 232 O VAL A 16 4.913 13.633 -15.151 1.00 0.00 O ATOM 233 CB VAL A 16 7.890 12.166 -14.924 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.798 12.495 -16.414 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.045 12.892 -14.254 1.00 0.00 C ATOM 0 H VAL A 16 6.678 10.252 -13.746 1.00 0.00 H new ATOM 0 HA VAL A 16 6.725 13.199 -13.520 1.00 0.00 H new ATOM 0 HB VAL A 16 8.093 11.095 -14.913 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.777 12.368 -16.876 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.082 11.825 -16.891 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.469 13.526 -16.539 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.946 12.777 -14.857 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.804 13.951 -14.160 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.215 12.470 -13.264 1.00 0.00 H new ATOM 245 N GLN A 17 4.673 11.404 -15.385 1.00 0.00 N ATOM 246 CA GLN A 17 3.445 11.508 -16.161 1.00 0.00 C ATOM 247 C GLN A 17 2.348 12.076 -15.273 1.00 0.00 C ATOM 248 O GLN A 17 1.673 13.019 -15.678 1.00 0.00 O ATOM 249 CB GLN A 17 3.011 10.178 -16.797 1.00 0.00 C ATOM 250 CG GLN A 17 1.720 10.314 -17.627 1.00 0.00 C ATOM 251 CD GLN A 17 1.838 11.336 -18.760 1.00 0.00 C ATOM 252 OE1 GLN A 17 1.500 12.505 -18.590 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.321 10.908 -19.923 1.00 0.00 N ATOM 0 H GLN A 17 4.987 10.448 -15.218 1.00 0.00 H new ATOM 0 HA GLN A 17 3.636 12.179 -16.998 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.812 9.806 -17.436 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.858 9.437 -16.013 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.462 9.342 -18.048 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.901 10.604 -16.969 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.593 9.931 -20.034 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.419 11.557 -20.704 1.00 0.00 H new ATOM 262 N LYS A 18 2.168 11.509 -14.072 1.00 0.00 N ATOM 263 CA LYS A 18 1.119 11.968 -13.166 1.00 0.00 C ATOM 264 C LYS A 18 1.216 13.475 -12.934 1.00 0.00 C ATOM 265 O LYS A 18 0.221 14.185 -13.045 1.00 0.00 O ATOM 266 CB LYS A 18 1.072 11.139 -11.866 1.00 0.00 C ATOM 267 CG LYS A 18 2.173 11.426 -10.831 1.00 0.00 C ATOM 268 CD LYS A 18 1.830 12.571 -9.854 1.00 0.00 C ATOM 269 CE LYS A 18 0.957 12.125 -8.675 1.00 0.00 C ATOM 270 NZ LYS A 18 1.738 11.413 -7.648 1.00 0.00 N ATOM 0 H LYS A 18 2.732 10.739 -13.712 1.00 0.00 H new ATOM 0 HA LYS A 18 0.156 11.795 -13.646 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.105 11.304 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.120 10.083 -12.132 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.365 10.519 -10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.096 11.673 -11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.755 13.000 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.315 13.362 -10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.479 12.997 -8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.160 11.476 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.110 11.129 -6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.173 10.567 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.483 12.040 -7.281 1.00 0.00 H new ATOM 284 N PHE A 19 2.420 13.956 -12.616 1.00 0.00 N ATOM 285 CA PHE A 19 2.672 15.360 -12.354 1.00 0.00 C ATOM 286 C PHE A 19 2.516 16.203 -13.623 1.00 0.00 C ATOM 287 O PHE A 19 1.896 17.262 -13.588 1.00 0.00 O ATOM 288 CB PHE A 19 4.070 15.519 -11.726 1.00 0.00 C ATOM 289 CG PHE A 19 4.601 16.930 -11.856 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.210 17.309 -13.062 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.475 17.864 -10.814 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.675 18.614 -13.231 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.962 19.176 -10.983 1.00 0.00 C ATOM 294 CZ PHE A 19 5.559 19.548 -12.205 1.00 0.00 C ATOM 0 H PHE A 19 3.250 13.369 -12.534 1.00 0.00 H new ATOM 0 HA PHE A 19 1.929 15.730 -11.647 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.025 15.246 -10.672 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.762 14.827 -12.206 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.319 16.590 -13.860 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.006 17.577 -9.885 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.130 18.902 -14.167 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.878 19.893 -10.180 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.925 20.554 -12.345 1.00 0.00 H new ATOM 304 N PHE A 20 3.101 15.747 -14.735 1.00 0.00 N ATOM 305 CA PHE A 20 3.070 16.472 -16.002 1.00 0.00 C ATOM 306 C PHE A 20 1.605 16.744 -16.354 1.00 0.00 C ATOM 307 O PHE A 20 1.221 17.887 -16.595 1.00 0.00 O ATOM 308 CB PHE A 20 3.807 15.658 -17.075 1.00 0.00 C ATOM 309 CG PHE A 20 3.902 16.221 -18.475 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.354 17.536 -18.680 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.562 15.414 -19.578 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.472 18.038 -19.985 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.685 15.918 -20.881 1.00 0.00 C ATOM 314 CZ PHE A 20 4.146 17.227 -21.083 1.00 0.00 C ATOM 0 H PHE A 20 3.609 14.864 -14.778 1.00 0.00 H new ATOM 0 HA PHE A 20 3.584 17.431 -15.933 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.822 15.484 -16.719 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.322 14.684 -17.142 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.610 18.158 -17.835 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.206 14.406 -19.420 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.814 19.050 -20.145 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.425 15.299 -21.727 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.250 17.612 -22.087 1.00 0.00 H new ATOM 324 N LEU A 21 0.778 15.689 -16.334 1.00 0.00 N ATOM 325 CA LEU A 21 -0.652 15.789 -16.585 1.00 0.00 C ATOM 326 C LEU A 21 -1.344 16.609 -15.502 1.00 0.00 C ATOM 327 O LEU A 21 -2.266 17.357 -15.817 1.00 0.00 O ATOM 328 CB LEU A 21 -1.293 14.391 -16.715 1.00 0.00 C ATOM 329 CG LEU A 21 -1.671 13.938 -18.139 1.00 0.00 C ATOM 330 CD1 LEU A 21 -2.010 12.441 -18.067 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.852 14.763 -18.666 1.00 0.00 C ATOM 0 H LEU A 21 1.093 14.738 -16.141 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.787 16.308 -17.534 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.603 13.659 -16.296 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.193 14.370 -16.100 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.846 14.096 -18.833 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.284 12.082 -19.059 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.142 11.888 -17.708 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.845 12.290 -17.383 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.107 14.431 -19.672 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.712 14.627 -18.010 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.577 15.818 -18.690 1.00 0.00 H new ATOM 343 N GLU A 22 -0.920 16.498 -14.239 1.00 0.00 N ATOM 344 CA GLU A 22 -1.520 17.296 -13.175 1.00 0.00 C ATOM 345 C GLU A 22 -1.334 18.782 -13.493 1.00 0.00 C ATOM 346 O GLU A 22 -2.211 19.577 -13.179 1.00 0.00 O ATOM 347 CB GLU A 22 -0.879 16.981 -11.810 1.00 0.00 C ATOM 348 CG GLU A 22 -1.551 17.707 -10.631 1.00 0.00 C ATOM 349 CD GLU A 22 -0.663 17.712 -9.390 1.00 0.00 C ATOM 350 OE1 GLU A 22 0.289 16.903 -9.332 1.00 0.00 O ATOM 351 OE2 GLU A 22 -0.872 18.611 -8.548 1.00 0.00 O ATOM 0 H GLU A 22 -0.174 15.872 -13.935 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.581 17.051 -13.118 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.924 15.906 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.175 17.255 -11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.780 18.733 -10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.499 17.222 -10.398 1.00 0.00 H new ATOM 358 N GLU A 23 -0.200 19.155 -14.098 1.00 0.00 N ATOM 359 CA GLU A 23 0.139 20.533 -14.414 1.00 0.00 C ATOM 360 C GLU A 23 -0.606 20.988 -15.661 1.00 0.00 C ATOM 361 O GLU A 23 -1.197 22.066 -15.652 1.00 0.00 O ATOM 362 CB GLU A 23 1.657 20.716 -14.484 1.00 0.00 C ATOM 363 CG GLU A 23 1.986 22.206 -14.371 1.00 0.00 C ATOM 364 CD GLU A 23 3.407 22.418 -13.874 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.301 21.711 -14.387 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.563 23.265 -12.966 1.00 0.00 O ATOM 0 H GLU A 23 0.517 18.488 -14.384 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.195 21.190 -13.611 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.140 20.162 -13.679 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.041 20.316 -15.422 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.863 22.683 -15.343 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.284 22.686 -13.689 1.00 0.00 H new ATOM 373 N ILE A 24 -0.612 20.145 -16.703 1.00 0.00 N ATOM 374 CA ILE A 24 -1.367 20.373 -17.944 1.00 0.00 C ATOM 375 C ILE A 24 -2.797 20.745 -17.498 1.00 0.00 C ATOM 376 O ILE A 24 -3.317 21.815 -17.832 1.00 0.00 O ATOM 377 CB ILE A 24 -1.309 19.086 -18.854 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.022 18.941 -19.717 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.548 18.706 -19.687 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.239 18.404 -21.147 1.00 0.00 C ATOM 0 H ILE A 24 -0.084 19.272 -16.708 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.953 21.175 -18.555 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.287 18.349 -18.051 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.462 19.915 -19.783 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.669 18.276 -19.199 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.341 17.798 -20.254 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.394 18.533 -19.022 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.787 19.517 -20.375 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.720 18.342 -21.662 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.690 17.413 -21.099 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.900 19.078 -21.692 1.00 0.00 H new ATOM 392 N GLN A 25 -3.415 19.859 -16.704 1.00 0.00 N ATOM 393 CA GLN A 25 -4.780 20.030 -16.213 1.00 0.00 C ATOM 394 C GLN A 25 -4.955 21.211 -15.264 1.00 0.00 C ATOM 395 O GLN A 25 -5.881 21.996 -15.430 1.00 0.00 O ATOM 396 CB GLN A 25 -5.247 18.739 -15.522 1.00 0.00 C ATOM 397 CG GLN A 25 -5.403 17.499 -16.420 1.00 0.00 C ATOM 398 CD GLN A 25 -5.731 16.290 -15.557 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.898 16.001 -15.296 1.00 0.00 O ATOM 400 NE2 GLN A 25 -4.695 15.602 -15.083 1.00 0.00 N ATOM 0 H GLN A 25 -2.973 18.997 -16.384 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.393 20.247 -17.088 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.537 18.500 -14.730 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.206 18.936 -15.042 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.194 17.663 -17.152 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.484 17.323 -16.979 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.744 15.879 -15.327 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.852 14.797 -14.476 1.00 0.00 H new ATOM 409 N LEU A 26 -4.083 21.324 -14.264 1.00 0.00 N ATOM 410 CA LEU A 26 -4.123 22.393 -13.263 1.00 0.00 C ATOM 411 C LEU A 26 -4.110 23.749 -13.968 1.00 0.00 C ATOM 412 O LEU A 26 -4.920 24.613 -13.640 1.00 0.00 O ATOM 413 CB LEU A 26 -2.995 22.191 -12.233 1.00 0.00 C ATOM 414 CG LEU A 26 -2.732 23.220 -11.129 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.326 24.608 -11.623 1.00 0.00 C ATOM 416 CD2 LEU A 26 -3.925 23.293 -10.190 1.00 0.00 C ATOM 0 H LEU A 26 -3.316 20.666 -14.123 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.049 22.361 -12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.182 21.237 -11.740 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.067 22.083 -12.795 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.857 22.859 -10.589 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.162 25.265 -10.769 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.407 24.533 -12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.119 25.018 -12.249 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.729 24.027 -9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.812 23.588 -10.751 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.091 22.316 -9.736 1.00 0.00 H new ATOM 428 N GLY A 27 -3.222 23.934 -14.953 1.00 0.00 N ATOM 429 CA GLY A 27 -3.151 25.164 -15.729 1.00 0.00 C ATOM 430 C GLY A 27 -4.477 25.365 -16.443 1.00 0.00 C ATOM 431 O GLY A 27 -5.164 26.336 -16.150 1.00 0.00 O ATOM 0 H GLY A 27 -2.536 23.232 -15.229 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.941 26.011 -15.076 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.337 25.109 -16.452 1.00 0.00 H new ATOM 435 N GLU A 28 -4.856 24.458 -17.352 1.00 0.00 N ATOM 436 CA GLU A 28 -6.137 24.555 -18.063 1.00 0.00 C ATOM 437 C GLU A 28 -7.306 24.919 -17.134 1.00 0.00 C ATOM 438 O GLU A 28 -8.164 25.727 -17.482 1.00 0.00 O ATOM 439 CB GLU A 28 -6.409 23.229 -18.769 1.00 0.00 C ATOM 440 CG GLU A 28 -5.422 23.038 -19.928 1.00 0.00 C ATOM 441 CD GLU A 28 -4.984 21.593 -20.106 1.00 0.00 C ATOM 442 OE1 GLU A 28 -5.692 20.690 -19.600 1.00 0.00 O ATOM 443 OE2 GLU A 28 -3.935 21.427 -20.762 1.00 0.00 O ATOM 0 H GLU A 28 -4.293 23.648 -17.613 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.060 25.364 -18.789 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.315 22.405 -18.061 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.432 23.211 -19.145 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.883 23.388 -20.852 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.543 23.659 -19.755 1.00 0.00 H new ATOM 450 N GLU A 29 -7.320 24.323 -15.943 1.00 0.00 N ATOM 451 CA GLU A 29 -8.326 24.538 -14.912 1.00 0.00 C ATOM 452 C GLU A 29 -8.217 25.946 -14.316 1.00 0.00 C ATOM 453 O GLU A 29 -9.231 26.607 -14.118 1.00 0.00 O ATOM 454 CB GLU A 29 -8.245 23.415 -13.874 1.00 0.00 C ATOM 455 CG GLU A 29 -9.302 23.517 -12.771 1.00 0.00 C ATOM 456 CD GLU A 29 -9.714 22.123 -12.321 1.00 0.00 C ATOM 457 OE1 GLU A 29 -10.471 21.489 -13.090 1.00 0.00 O ATOM 458 OE2 GLU A 29 -9.242 21.675 -11.256 1.00 0.00 O ATOM 0 H GLU A 29 -6.604 23.653 -15.662 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.323 24.492 -15.351 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.353 22.456 -14.381 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.255 23.425 -13.418 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.906 24.080 -11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.172 24.063 -13.137 1.00 0.00 H new ATOM 465 N LEU A 30 -7.007 26.446 -14.054 1.00 0.00 N ATOM 466 CA LEU A 30 -6.833 27.805 -13.553 1.00 0.00 C ATOM 467 C LEU A 30 -7.301 28.784 -14.629 1.00 0.00 C ATOM 468 O LEU A 30 -7.936 29.791 -14.323 1.00 0.00 O ATOM 469 CB LEU A 30 -5.367 28.072 -13.165 1.00 0.00 C ATOM 470 CG LEU A 30 -4.975 27.781 -11.704 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.481 28.080 -11.542 1.00 0.00 C ATOM 472 CD2 LEU A 30 -5.744 28.675 -10.716 1.00 0.00 C ATOM 0 H LEU A 30 -6.137 25.929 -14.181 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.430 27.938 -12.651 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.728 27.473 -13.815 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.144 29.118 -13.375 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.213 26.740 -11.488 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.180 27.881 -10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.908 27.445 -12.218 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.292 29.127 -11.779 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.438 28.438 -9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.525 29.722 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.814 28.500 -10.824 1.00 0.00 H new ATOM 484 N LEU A 31 -7.023 28.480 -15.898 1.00 0.00 N ATOM 485 CA LEU A 31 -7.470 29.304 -17.018 1.00 0.00 C ATOM 486 C LEU A 31 -8.985 29.222 -17.125 1.00 0.00 C ATOM 487 O LEU A 31 -9.627 30.196 -17.507 1.00 0.00 O ATOM 488 CB LEU A 31 -6.762 28.863 -18.284 1.00 0.00 C ATOM 489 CG LEU A 31 -5.275 29.251 -18.259 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.595 29.469 -16.900 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.541 28.144 -19.000 1.00 0.00 C ATOM 0 H LEU A 31 -6.484 27.660 -16.175 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.213 30.351 -16.858 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.856 27.783 -18.398 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.244 29.318 -19.149 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.225 30.242 -18.710 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.550 29.737 -17.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.100 30.273 -16.365 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.652 28.552 -16.314 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.473 28.363 -19.017 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.709 27.194 -18.493 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.914 28.081 -20.022 1.00 0.00 H new ATOM 503 N ALA A 32 -9.555 28.084 -16.718 1.00 0.00 N ATOM 504 CA ALA A 32 -10.999 27.932 -16.640 1.00 0.00 C ATOM 505 C ALA A 32 -11.577 28.967 -15.664 1.00 0.00 C ATOM 506 O ALA A 32 -12.755 29.305 -15.756 1.00 0.00 O ATOM 507 CB ALA A 32 -11.402 26.513 -16.229 1.00 0.00 C ATOM 0 H ALA A 32 -9.030 27.255 -16.438 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.412 28.105 -17.634 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.489 26.442 -16.183 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.023 25.801 -16.962 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.982 26.285 -15.250 1.00 0.00 H new ATOM 513 N GLN A 33 -10.738 29.480 -14.751 1.00 0.00 N ATOM 514 CA GLN A 33 -11.082 30.513 -13.790 1.00 0.00 C ATOM 515 C GLN A 33 -10.749 31.862 -14.436 1.00 0.00 C ATOM 516 O GLN A 33 -11.487 32.833 -14.281 1.00 0.00 O ATOM 517 CB GLN A 33 -10.317 30.270 -12.477 1.00 0.00 C ATOM 518 CG GLN A 33 -11.249 30.358 -11.268 1.00 0.00 C ATOM 519 CD GLN A 33 -11.792 31.769 -11.056 1.00 0.00 C ATOM 520 OE1 GLN A 33 -12.993 31.998 -11.159 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.910 32.722 -10.754 1.00 0.00 N ATOM 0 H GLN A 33 -9.770 29.169 -14.667 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.141 30.501 -13.534 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.845 29.288 -12.505 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.518 31.005 -12.378 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.081 29.667 -11.403 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.712 30.040 -10.374 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.919 32.494 -10.677 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.226 33.679 -10.600 1.00 0.00 H new ATOM 530 N GLY A 34 -9.639 31.886 -15.183 1.00 0.00 N ATOM 531 CA GLY A 34 -9.127 33.011 -15.948 1.00 0.00 C ATOM 532 C GLY A 34 -7.670 33.355 -15.641 1.00 0.00 C ATOM 533 O GLY A 34 -7.216 34.415 -16.069 1.00 0.00 O ATOM 0 H GLY A 34 -9.042 31.064 -15.270 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.222 32.788 -17.011 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.747 33.885 -15.749 1.00 0.00 H new ATOM 537 N ASP A 35 -6.928 32.508 -14.909 1.00 0.00 N ATOM 538 CA ASP A 35 -5.546 32.846 -14.538 1.00 0.00 C ATOM 539 C ASP A 35 -4.482 32.510 -15.601 1.00 0.00 C ATOM 540 O ASP A 35 -3.512 31.804 -15.330 1.00 0.00 O ATOM 541 CB ASP A 35 -5.219 32.280 -13.147 1.00 0.00 C ATOM 542 CG ASP A 35 -4.122 33.067 -12.434 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.334 33.745 -13.132 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.074 32.956 -11.190 1.00 0.00 O ATOM 0 H ASP A 35 -7.254 31.603 -14.569 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.497 33.934 -14.489 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.121 32.286 -12.535 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.908 31.240 -13.246 1.00 0.00 H new ATOM 549 N TYR A 36 -4.657 33.034 -16.818 1.00 0.00 N ATOM 550 CA TYR A 36 -3.783 32.904 -17.989 1.00 0.00 C ATOM 551 C TYR A 36 -2.329 33.213 -17.639 1.00 0.00 C ATOM 552 O TYR A 36 -1.414 32.545 -18.124 1.00 0.00 O ATOM 553 CB TYR A 36 -4.342 33.792 -19.108 1.00 0.00 C ATOM 554 CG TYR A 36 -5.590 33.332 -19.853 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.625 32.603 -19.230 1.00 0.00 C ATOM 556 CD2 TYR A 36 -5.704 33.655 -21.219 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.756 32.206 -19.967 1.00 0.00 C ATOM 558 CE2 TYR A 36 -6.833 33.258 -21.954 1.00 0.00 C ATOM 559 CZ TYR A 36 -7.859 32.534 -21.329 1.00 0.00 C ATOM 560 OH TYR A 36 -8.954 32.151 -22.046 1.00 0.00 O ATOM 0 H TYR A 36 -5.477 33.604 -17.027 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.773 31.873 -18.342 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.556 34.770 -18.678 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.551 33.933 -19.844 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.549 32.349 -18.183 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.917 34.212 -21.705 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.546 31.649 -19.485 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.911 33.510 -23.001 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.864 32.461 -22.971 1.00 0.00 H new ATOM 570 N GLU A 37 -2.135 34.201 -16.774 1.00 0.00 N ATOM 571 CA GLU A 37 -0.842 34.622 -16.267 1.00 0.00 C ATOM 572 C GLU A 37 -0.126 33.410 -15.674 1.00 0.00 C ATOM 573 O GLU A 37 1.035 33.143 -15.986 1.00 0.00 O ATOM 574 CB GLU A 37 -1.036 35.745 -15.237 1.00 0.00 C ATOM 575 CG GLU A 37 -1.411 37.095 -15.876 1.00 0.00 C ATOM 576 CD GLU A 37 -2.695 37.071 -16.705 1.00 0.00 C ATOM 577 OE1 GLU A 37 -3.667 36.429 -16.249 1.00 0.00 O ATOM 578 OE2 GLU A 37 -2.674 37.683 -17.796 1.00 0.00 O ATOM 0 H GLU A 37 -2.906 34.750 -16.394 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.221 35.021 -17.070 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.816 35.454 -14.534 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.118 35.865 -14.662 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.518 37.839 -15.086 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.589 37.422 -16.513 1.00 0.00 H new ATOM 585 N LYS A 38 -0.852 32.665 -14.841 1.00 0.00 N ATOM 586 CA LYS A 38 -0.361 31.445 -14.217 1.00 0.00 C ATOM 587 C LYS A 38 -0.287 30.308 -15.230 1.00 0.00 C ATOM 588 O LYS A 38 0.615 29.481 -15.129 1.00 0.00 O ATOM 589 CB LYS A 38 -1.197 31.051 -12.986 1.00 0.00 C ATOM 590 CG LYS A 38 -0.505 31.388 -11.656 1.00 0.00 C ATOM 591 CD LYS A 38 0.539 30.295 -11.385 1.00 0.00 C ATOM 592 CE LYS A 38 1.480 30.584 -10.215 1.00 0.00 C ATOM 593 NZ LYS A 38 2.443 29.474 -10.047 1.00 0.00 N ATOM 0 H LYS A 38 -1.810 32.898 -14.580 1.00 0.00 H new ATOM 0 HA LYS A 38 0.650 31.644 -13.861 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.159 31.562 -13.028 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.403 29.981 -13.021 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.029 32.367 -11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.233 31.431 -10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.020 29.356 -11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.136 30.150 -12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.016 31.516 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.904 30.717 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.827 29.491 -9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.960 28.568 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.220 29.582 -10.730 1.00 0.00 H new ATOM 607 N GLY A 39 -1.196 30.256 -16.211 1.00 0.00 N ATOM 608 CA GLY A 39 -1.153 29.234 -17.240 1.00 0.00 C ATOM 609 C GLY A 39 0.196 29.221 -17.933 1.00 0.00 C ATOM 610 O GLY A 39 0.732 28.151 -18.196 1.00 0.00 O ATOM 0 H GLY A 39 -1.968 30.916 -16.306 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.348 28.257 -16.797 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.941 29.415 -17.971 1.00 0.00 H new ATOM 614 N VAL A 40 0.747 30.402 -18.227 1.00 0.00 N ATOM 615 CA VAL A 40 2.039 30.486 -18.889 1.00 0.00 C ATOM 616 C VAL A 40 3.109 29.812 -18.028 1.00 0.00 C ATOM 617 O VAL A 40 3.895 29.018 -18.533 1.00 0.00 O ATOM 618 CB VAL A 40 2.421 31.949 -19.222 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.890 31.991 -19.671 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.528 32.571 -20.315 1.00 0.00 C ATOM 0 H VAL A 40 0.318 31.303 -18.017 1.00 0.00 H new ATOM 0 HA VAL A 40 1.971 29.957 -19.840 1.00 0.00 H new ATOM 0 HB VAL A 40 2.271 32.540 -18.319 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.169 33.018 -19.908 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.527 31.618 -18.869 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.018 31.367 -20.555 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.845 33.597 -20.504 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.617 31.989 -21.232 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.490 32.568 -19.982 1.00 0.00 H new ATOM 630 N ASP A 41 3.135 30.139 -16.736 1.00 0.00 N ATOM 631 CA ASP A 41 4.102 29.617 -15.776 1.00 0.00 C ATOM 632 C ASP A 41 3.982 28.104 -15.625 1.00 0.00 C ATOM 633 O ASP A 41 4.966 27.376 -15.721 1.00 0.00 O ATOM 634 CB ASP A 41 3.946 30.334 -14.424 1.00 0.00 C ATOM 635 CG ASP A 41 4.658 29.610 -13.288 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.878 29.379 -13.427 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.964 29.301 -12.294 1.00 0.00 O ATOM 0 H ASP A 41 2.468 30.789 -16.320 1.00 0.00 H new ATOM 0 HA ASP A 41 5.104 29.817 -16.156 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.340 31.347 -14.507 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.886 30.423 -14.185 1.00 0.00 H new ATOM 642 N HIS A 42 2.766 27.630 -15.383 1.00 0.00 N ATOM 643 CA HIS A 42 2.515 26.212 -15.193 1.00 0.00 C ATOM 644 C HIS A 42 2.801 25.449 -16.470 1.00 0.00 C ATOM 645 O HIS A 42 3.326 24.340 -16.410 1.00 0.00 O ATOM 646 CB HIS A 42 1.109 25.950 -14.648 1.00 0.00 C ATOM 647 CG HIS A 42 1.070 26.144 -13.157 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.859 25.396 -12.293 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.354 26.992 -12.352 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.595 25.819 -11.048 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.684 26.795 -11.011 1.00 0.00 N ATOM 0 H HIS A 42 1.933 28.215 -15.314 1.00 0.00 H new ATOM 0 HA HIS A 42 3.201 25.841 -14.432 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.397 26.624 -15.126 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.802 24.934 -14.895 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.517 24.662 -12.556 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.367 27.714 -12.707 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.070 25.413 -10.167 1.00 0.00 H new ATOM 659 N LEU A 43 2.494 26.033 -17.632 1.00 0.00 N ATOM 660 CA LEU A 43 2.811 25.322 -18.853 1.00 0.00 C ATOM 661 C LEU A 43 4.332 25.285 -18.942 1.00 0.00 C ATOM 662 O LEU A 43 4.890 24.226 -19.194 1.00 0.00 O ATOM 663 CB LEU A 43 2.147 25.926 -20.099 1.00 0.00 C ATOM 664 CG LEU A 43 1.769 24.791 -21.066 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.395 24.202 -20.710 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.696 25.288 -22.509 1.00 0.00 C ATOM 0 H LEU A 43 2.051 26.945 -17.744 1.00 0.00 H new ATOM 0 HA LEU A 43 2.404 24.311 -18.822 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.259 26.491 -19.816 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.827 26.625 -20.586 1.00 0.00 H new ATOM 0 HG LEU A 43 2.546 24.032 -20.972 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.150 23.401 -21.408 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.422 23.804 -19.696 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.363 24.983 -20.773 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.427 24.461 -23.166 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.943 26.072 -22.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.666 25.686 -22.806 1.00 0.00 H new ATOM 678 N THR A 44 5.003 26.421 -18.693 1.00 0.00 N ATOM 679 CA THR A 44 6.465 26.496 -18.717 1.00 0.00 C ATOM 680 C THR A 44 7.076 25.379 -17.851 1.00 0.00 C ATOM 681 O THR A 44 8.083 24.763 -18.210 1.00 0.00 O ATOM 682 CB THR A 44 6.978 27.891 -18.322 1.00 0.00 C ATOM 683 OG1 THR A 44 6.536 28.839 -19.273 1.00 0.00 O ATOM 684 CG2 THR A 44 8.509 27.943 -18.324 1.00 0.00 C ATOM 0 H THR A 44 4.547 27.306 -18.471 1.00 0.00 H new ATOM 0 HA THR A 44 6.794 26.336 -19.744 1.00 0.00 H new ATOM 0 HB THR A 44 6.599 28.108 -17.323 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.581 29.016 -19.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.839 28.942 -18.041 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.899 27.216 -17.611 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.880 27.708 -19.322 1.00 0.00 H new ATOM 692 N ASN A 45 6.444 25.106 -16.707 1.00 0.00 N ATOM 693 CA ASN A 45 6.886 24.066 -15.782 1.00 0.00 C ATOM 694 C ASN A 45 6.668 22.690 -16.419 1.00 0.00 C ATOM 695 O ASN A 45 7.546 21.821 -16.355 1.00 0.00 O ATOM 696 CB ASN A 45 6.217 24.203 -14.410 1.00 0.00 C ATOM 697 CG ASN A 45 6.943 25.187 -13.495 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.727 24.781 -12.640 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.694 26.483 -13.659 1.00 0.00 N ATOM 0 H ASN A 45 5.609 25.603 -16.397 1.00 0.00 H new ATOM 0 HA ASN A 45 7.954 24.183 -15.595 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.186 24.531 -14.544 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.180 23.225 -13.929 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.159 27.171 -13.066 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.038 26.789 -14.377 1.00 0.00 H new ATOM 706 N ALA A 46 5.516 22.496 -17.075 1.00 0.00 N ATOM 707 CA ALA A 46 5.226 21.253 -17.769 1.00 0.00 C ATOM 708 C ALA A 46 6.373 20.994 -18.768 1.00 0.00 C ATOM 709 O ALA A 46 6.914 19.889 -18.834 1.00 0.00 O ATOM 710 CB ALA A 46 3.802 21.282 -18.351 1.00 0.00 C ATOM 0 H ALA A 46 4.773 23.192 -17.134 1.00 0.00 H new ATOM 0 HA ALA A 46 5.205 20.392 -17.101 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.601 20.343 -18.868 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.082 21.413 -17.544 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.713 22.110 -19.055 1.00 0.00 H new ATOM 716 N ILE A 47 6.801 22.030 -19.508 1.00 0.00 N ATOM 717 CA ILE A 47 7.938 21.926 -20.426 1.00 0.00 C ATOM 718 C ILE A 47 9.222 21.574 -19.674 1.00 0.00 C ATOM 719 O ILE A 47 10.058 20.844 -20.198 1.00 0.00 O ATOM 720 CB ILE A 47 8.160 23.207 -21.270 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.096 23.414 -22.377 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.576 23.262 -21.877 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.780 23.968 -21.846 1.00 0.00 C ATOM 0 H ILE A 47 6.370 22.954 -19.485 1.00 0.00 H new ATOM 0 HA ILE A 47 7.689 21.122 -21.118 1.00 0.00 H new ATOM 0 HB ILE A 47 8.049 24.030 -20.564 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.492 24.095 -23.130 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.908 22.462 -22.874 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.687 24.176 -22.460 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.316 23.250 -21.077 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.728 22.398 -22.524 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.078 24.090 -22.670 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.363 23.277 -21.114 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.956 24.934 -21.374 1.00 0.00 H new ATOM 735 N ALA A 48 9.387 22.101 -18.463 1.00 0.00 N ATOM 736 CA ALA A 48 10.578 21.884 -17.651 1.00 0.00 C ATOM 737 C ALA A 48 10.735 20.419 -17.297 1.00 0.00 C ATOM 738 O ALA A 48 11.861 19.950 -17.138 1.00 0.00 O ATOM 739 CB ALA A 48 10.606 22.757 -16.394 1.00 0.00 C ATOM 0 H ALA A 48 8.690 22.696 -18.015 1.00 0.00 H new ATOM 0 HA ALA A 48 11.429 22.187 -18.261 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.515 22.552 -15.829 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.586 23.808 -16.681 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.737 22.533 -15.776 1.00 0.00 H new ATOM 745 N VAL A 49 9.615 19.698 -17.200 1.00 0.00 N ATOM 746 CA VAL A 49 9.662 18.285 -16.884 1.00 0.00 C ATOM 747 C VAL A 49 9.529 17.428 -18.142 1.00 0.00 C ATOM 748 O VAL A 49 9.848 16.243 -18.091 1.00 0.00 O ATOM 749 CB VAL A 49 8.610 17.943 -15.827 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.745 18.895 -14.639 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.160 17.967 -16.311 1.00 0.00 C ATOM 0 H VAL A 49 8.676 20.074 -17.336 1.00 0.00 H new ATOM 0 HA VAL A 49 10.639 18.054 -16.460 1.00 0.00 H new ATOM 0 HB VAL A 49 8.817 16.909 -15.551 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.994 18.649 -13.888 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.740 18.795 -14.204 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.598 19.921 -14.976 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.496 17.711 -15.485 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.915 18.964 -16.677 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.033 17.243 -17.116 1.00 0.00 H new ATOM 761 N CYS A 50 9.083 18.004 -19.268 1.00 0.00 N ATOM 762 CA CYS A 50 8.956 17.243 -20.507 1.00 0.00 C ATOM 763 C CYS A 50 10.263 17.269 -21.302 1.00 0.00 C ATOM 764 O CYS A 50 10.740 16.223 -21.739 1.00 0.00 O ATOM 765 CB CYS A 50 7.753 17.748 -21.300 1.00 0.00 C ATOM 766 SG CYS A 50 7.693 17.001 -22.946 1.00 0.00 S ATOM 0 H CYS A 50 8.808 18.984 -19.341 1.00 0.00 H new ATOM 0 HA CYS A 50 8.771 16.194 -20.277 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.835 17.517 -20.759 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.804 18.833 -21.392 1.00 0.00 H new ATOM 0 HG CYS A 50 6.657 17.452 -23.590 1.00 0.00 H new ATOM 772 N GLY A 51 10.849 18.457 -21.491 1.00 0.00 N ATOM 773 CA GLY A 51 12.100 18.633 -22.217 1.00 0.00 C ATOM 774 C GLY A 51 11.912 18.723 -23.734 1.00 0.00 C ATOM 775 O GLY A 51 12.876 18.972 -24.455 1.00 0.00 O ATOM 0 H GLY A 51 10.458 19.330 -21.137 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.592 19.539 -21.864 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.765 17.800 -21.989 1.00 0.00 H new ATOM 779 N GLN A 52 10.681 18.534 -24.218 1.00 0.00 N ATOM 780 CA GLN A 52 10.315 18.598 -25.629 1.00 0.00 C ATOM 781 C GLN A 52 9.210 19.649 -25.749 1.00 0.00 C ATOM 782 O GLN A 52 8.063 19.295 -26.028 1.00 0.00 O ATOM 783 CB GLN A 52 9.902 17.190 -26.096 1.00 0.00 C ATOM 784 CG GLN A 52 10.001 17.035 -27.621 1.00 0.00 C ATOM 785 CD GLN A 52 11.447 16.944 -28.105 1.00 0.00 C ATOM 786 OE1 GLN A 52 12.084 15.906 -27.962 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.970 18.022 -28.690 1.00 0.00 N ATOM 0 H GLN A 52 9.886 18.325 -23.614 1.00 0.00 H new ATOM 0 HA GLN A 52 11.137 18.899 -26.279 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.538 16.448 -25.615 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.879 16.988 -25.777 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.461 16.139 -27.928 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.512 17.882 -28.102 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.411 18.869 -28.792 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.929 18.000 -29.035 1.00 0.00 H new ATOM 796 N PRO A 53 9.524 20.944 -25.530 1.00 0.00 N ATOM 797 CA PRO A 53 8.538 22.006 -25.596 1.00 0.00 C ATOM 798 C PRO A 53 7.686 21.962 -26.850 1.00 0.00 C ATOM 799 O PRO A 53 6.467 21.926 -26.765 1.00 0.00 O ATOM 800 CB PRO A 53 9.306 23.334 -25.522 1.00 0.00 C ATOM 801 CG PRO A 53 10.765 22.951 -25.748 1.00 0.00 C ATOM 802 CD PRO A 53 10.821 21.531 -25.198 1.00 0.00 C ATOM 0 HA PRO A 53 7.840 21.889 -24.767 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.959 24.035 -26.281 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.169 23.817 -24.555 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.036 22.989 -26.803 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.446 23.618 -25.220 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.637 20.965 -25.648 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.990 21.531 -24.121 1.00 0.00 H new ATOM 810 N GLN A 54 8.351 21.986 -28.001 1.00 0.00 N ATOM 811 CA GLN A 54 7.730 22.013 -29.314 1.00 0.00 C ATOM 812 C GLN A 54 6.791 20.835 -29.521 1.00 0.00 C ATOM 813 O GLN A 54 5.713 21.024 -30.082 1.00 0.00 O ATOM 814 CB GLN A 54 8.804 22.095 -30.409 1.00 0.00 C ATOM 815 CG GLN A 54 9.771 23.285 -30.248 1.00 0.00 C ATOM 816 CD GLN A 54 10.713 23.410 -31.445 1.00 0.00 C ATOM 817 OE1 GLN A 54 10.897 22.462 -32.204 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.323 24.583 -31.619 1.00 0.00 N ATOM 0 H GLN A 54 9.370 21.987 -28.043 1.00 0.00 H new ATOM 0 HA GLN A 54 7.113 22.909 -29.380 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.380 21.169 -30.410 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.314 22.166 -31.380 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.200 24.206 -30.136 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.355 23.159 -29.336 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.148 25.350 -30.970 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.965 24.713 -32.401 1.00 0.00 H new ATOM 827 N GLN A 55 7.163 19.635 -29.057 1.00 0.00 N ATOM 828 CA GLN A 55 6.258 18.505 -29.194 1.00 0.00 C ATOM 829 C GLN A 55 4.998 18.811 -28.405 1.00 0.00 C ATOM 830 O GLN A 55 3.903 18.625 -28.920 1.00 0.00 O ATOM 831 CB GLN A 55 6.890 17.162 -28.799 1.00 0.00 C ATOM 832 CG GLN A 55 5.890 15.990 -28.796 1.00 0.00 C ATOM 833 CD GLN A 55 4.980 15.925 -30.027 1.00 0.00 C ATOM 834 OE1 GLN A 55 3.772 15.758 -29.886 1.00 0.00 O ATOM 835 NE2 GLN A 55 5.538 16.068 -31.229 1.00 0.00 N ATOM 0 H GLN A 55 8.052 19.432 -28.601 1.00 0.00 H new ATOM 0 HA GLN A 55 6.012 18.379 -30.248 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.702 16.935 -29.489 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.332 17.255 -27.807 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.446 15.055 -28.722 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.268 16.063 -27.904 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.545 16.205 -31.311 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.958 16.040 -32.067 1.00 0.00 H new ATOM 844 N LEU A 56 5.144 19.297 -27.172 1.00 0.00 N ATOM 845 CA LEU A 56 3.982 19.628 -26.377 1.00 0.00 C ATOM 846 C LEU A 56 3.169 20.759 -27.016 1.00 0.00 C ATOM 847 O LEU A 56 1.945 20.702 -27.026 1.00 0.00 O ATOM 848 CB LEU A 56 4.334 19.899 -24.908 1.00 0.00 C ATOM 849 CG LEU A 56 3.080 20.017 -24.020 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.304 18.688 -23.866 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.539 20.552 -22.661 1.00 0.00 C ATOM 0 H LEU A 56 6.041 19.465 -26.717 1.00 0.00 H new ATOM 0 HA LEU A 56 3.338 18.749 -26.365 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.967 19.095 -24.534 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.914 20.820 -24.839 1.00 0.00 H new ATOM 0 HG LEU A 56 2.372 20.696 -24.496 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.434 18.846 -23.228 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.977 18.342 -24.847 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.953 17.938 -23.414 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.678 20.651 -21.999 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.257 19.860 -22.221 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.009 21.527 -22.793 1.00 0.00 H new ATOM 863 N LEU A 57 3.808 21.794 -27.567 1.00 0.00 N ATOM 864 CA LEU A 57 3.046 22.881 -28.183 1.00 0.00 C ATOM 865 C LEU A 57 2.262 22.341 -29.384 1.00 0.00 C ATOM 866 O LEU A 57 1.107 22.713 -29.598 1.00 0.00 O ATOM 867 CB LEU A 57 3.913 24.114 -28.498 1.00 0.00 C ATOM 868 CG LEU A 57 4.791 24.654 -27.342 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.264 26.084 -27.618 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.130 24.610 -25.954 1.00 0.00 C ATOM 0 H LEU A 57 4.822 21.902 -27.600 1.00 0.00 H new ATOM 0 HA LEU A 57 2.319 23.255 -27.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.565 23.867 -29.336 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.256 24.917 -28.831 1.00 0.00 H new ATOM 0 HG LEU A 57 5.638 23.969 -27.312 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.877 26.431 -26.787 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.852 26.102 -28.535 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.399 26.738 -27.729 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.820 25.008 -25.210 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.221 25.212 -25.965 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.880 23.579 -25.703 1.00 0.00 H new ATOM 882 N GLN A 58 2.870 21.426 -30.141 1.00 0.00 N ATOM 883 CA GLN A 58 2.216 20.778 -31.271 1.00 0.00 C ATOM 884 C GLN A 58 1.024 19.968 -30.749 1.00 0.00 C ATOM 885 O GLN A 58 -0.082 20.086 -31.268 1.00 0.00 O ATOM 886 CB GLN A 58 3.230 19.909 -32.043 1.00 0.00 C ATOM 887 CG GLN A 58 2.601 19.092 -33.177 1.00 0.00 C ATOM 888 CD GLN A 58 3.654 18.210 -33.845 1.00 0.00 C ATOM 889 OE1 GLN A 58 3.887 17.082 -33.416 1.00 0.00 O ATOM 890 NE2 GLN A 58 4.301 18.719 -34.894 1.00 0.00 N ATOM 0 H GLN A 58 3.829 21.116 -29.985 1.00 0.00 H new ATOM 0 HA GLN A 58 1.840 21.519 -31.976 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.006 20.553 -32.458 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.719 19.229 -31.345 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.795 18.473 -32.784 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.158 19.762 -33.914 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.081 19.659 -35.222 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.016 18.168 -35.368 1.00 0.00 H new ATOM 899 N VAL A 59 1.250 19.154 -29.714 1.00 0.00 N ATOM 900 CA VAL A 59 0.239 18.303 -29.090 1.00 0.00 C ATOM 901 C VAL A 59 -0.931 19.120 -28.537 1.00 0.00 C ATOM 902 O VAL A 59 -2.072 18.665 -28.587 1.00 0.00 O ATOM 903 CB VAL A 59 0.879 17.354 -28.049 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.646 17.710 -26.572 1.00 0.00 C ATOM 905 CG2 VAL A 59 0.496 15.911 -28.278 1.00 0.00 C ATOM 0 H VAL A 59 2.167 19.068 -29.277 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.194 17.665 -29.861 1.00 0.00 H new ATOM 0 HB VAL A 59 1.945 17.498 -28.227 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.141 16.975 -25.938 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.055 18.700 -26.367 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.424 17.709 -26.362 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.970 15.284 -27.522 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.587 15.807 -28.209 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.828 15.599 -29.268 1.00 0.00 H new ATOM 915 N LEU A 60 -0.659 20.336 -28.051 1.00 0.00 N ATOM 916 CA LEU A 60 -1.669 21.232 -27.497 1.00 0.00 C ATOM 917 C LEU A 60 -2.420 21.899 -28.647 1.00 0.00 C ATOM 918 O LEU A 60 -3.609 22.163 -28.510 1.00 0.00 O ATOM 919 CB LEU A 60 -0.968 22.366 -26.712 1.00 0.00 C ATOM 920 CG LEU A 60 -0.711 22.193 -25.205 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.887 22.758 -24.397 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.507 20.752 -24.739 1.00 0.00 C ATOM 0 H LEU A 60 0.283 20.727 -28.033 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.340 20.661 -26.855 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.005 22.548 -27.189 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.563 23.270 -26.841 1.00 0.00 H new ATOM 0 HG LEU A 60 0.221 22.732 -25.033 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.692 22.629 -23.332 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.004 23.819 -24.619 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.801 22.228 -24.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.333 20.739 -23.663 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.396 20.165 -24.970 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.354 20.323 -25.251 1.00 0.00 H new ATOM 934 N GLN A 61 -1.752 22.163 -29.775 1.00 0.00 N ATOM 935 CA GLN A 61 -2.360 22.815 -30.934 1.00 0.00 C ATOM 936 C GLN A 61 -3.187 21.830 -31.775 1.00 0.00 C ATOM 937 O GLN A 61 -3.740 22.219 -32.800 1.00 0.00 O ATOM 938 CB GLN A 61 -1.253 23.536 -31.742 1.00 0.00 C ATOM 939 CG GLN A 61 -1.696 24.375 -32.957 1.00 0.00 C ATOM 940 CD GLN A 61 -0.571 25.294 -33.430 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.044 25.045 -34.463 1.00 0.00 O ATOM 942 NE2 GLN A 61 -0.290 26.362 -32.682 1.00 0.00 N ATOM 0 H GLN A 61 -0.768 21.928 -29.908 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.076 23.566 -30.600 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.710 24.191 -31.060 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.546 22.783 -32.092 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.996 23.714 -33.770 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.570 24.971 -32.692 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.820 26.541 -31.829 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.455 27.000 -32.963 1.00 0.00 H new ATOM 951 N GLN A 62 -3.287 20.564 -31.348 1.00 0.00 N ATOM 952 CA GLN A 62 -4.033 19.517 -32.033 1.00 0.00 C ATOM 953 C GLN A 62 -5.311 19.179 -31.270 1.00 0.00 C ATOM 954 O GLN A 62 -6.325 18.858 -31.886 1.00 0.00 O ATOM 955 CB GLN A 62 -3.158 18.261 -32.134 1.00 0.00 C ATOM 956 CG GLN A 62 -2.014 18.442 -33.138 1.00 0.00 C ATOM 957 CD GLN A 62 -2.461 18.235 -34.582 1.00 0.00 C ATOM 958 OE1 GLN A 62 -2.529 19.182 -35.360 1.00 0.00 O ATOM 959 NE2 GLN A 62 -2.761 16.991 -34.952 1.00 0.00 N ATOM 0 H GLN A 62 -2.837 20.238 -30.493 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.303 19.871 -33.028 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.746 18.025 -31.153 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.773 17.413 -32.434 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.597 19.443 -33.031 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.216 17.737 -32.904 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.693 16.228 -34.278 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.059 16.801 -35.909 1.00 0.00 H new ATOM 968 N THR A 63 -5.255 19.222 -29.934 1.00 0.00 N ATOM 969 CA THR A 63 -6.403 18.860 -29.110 1.00 0.00 C ATOM 970 C THR A 63 -7.444 19.982 -28.994 1.00 0.00 C ATOM 971 O THR A 63 -8.609 19.775 -29.339 1.00 0.00 O ATOM 972 CB THR A 63 -5.945 18.197 -27.801 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.037 17.727 -27.035 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.052 19.098 -26.958 1.00 0.00 C ATOM 0 H THR A 63 -4.429 19.503 -29.407 1.00 0.00 H new ATOM 0 HA THR A 63 -6.977 18.087 -29.621 1.00 0.00 H new ATOM 0 HB THR A 63 -5.344 17.339 -28.103 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.705 17.311 -26.212 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.762 18.574 -26.047 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.159 19.360 -27.526 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.595 20.006 -26.696 1.00 0.00 H new ATOM 982 N LEU A 64 -7.037 21.158 -28.515 1.00 0.00 N ATOM 983 CA LEU A 64 -7.900 22.328 -28.333 1.00 0.00 C ATOM 984 C LEU A 64 -7.106 23.583 -28.699 1.00 0.00 C ATOM 985 O LEU A 64 -5.904 23.599 -28.466 1.00 0.00 O ATOM 986 CB LEU A 64 -8.302 22.487 -26.853 1.00 0.00 C ATOM 987 CG LEU A 64 -9.357 21.563 -26.219 1.00 0.00 C ATOM 988 CD1 LEU A 64 -10.718 21.624 -26.922 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.909 20.114 -26.009 1.00 0.00 C ATOM 0 H LEU A 64 -6.071 21.329 -28.235 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.785 22.197 -28.956 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.392 22.387 -26.262 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.654 23.510 -26.725 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.480 21.980 -25.220 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.415 20.949 -26.425 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.105 22.642 -26.878 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.603 21.324 -27.964 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.721 19.544 -25.558 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.645 19.672 -26.970 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.041 20.093 -25.350 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.732 24.647 -29.236 1.00 0.00 N ATOM 1002 CA PRO A 65 -7.039 25.886 -29.567 1.00 0.00 C ATOM 1003 C PRO A 65 -6.534 26.529 -28.265 1.00 0.00 C ATOM 1004 O PRO A 65 -7.357 26.909 -27.435 1.00 0.00 O ATOM 1005 CB PRO A 65 -8.081 26.756 -30.277 1.00 0.00 C ATOM 1006 CG PRO A 65 -9.418 26.237 -29.746 1.00 0.00 C ATOM 1007 CD PRO A 65 -9.151 24.747 -29.536 1.00 0.00 C ATOM 0 HA PRO A 65 -6.170 25.743 -30.209 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.943 27.812 -30.047 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.015 26.654 -31.360 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.702 26.731 -28.817 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.227 26.406 -30.457 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.754 24.351 -28.719 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.406 24.173 -30.427 1.00 0.00 H new ATOM 1015 N PRO A 66 -5.213 26.642 -28.045 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.644 27.188 -26.819 1.00 0.00 C ATOM 1017 C PRO A 66 -4.462 28.714 -26.886 1.00 0.00 C ATOM 1018 O PRO A 66 -3.597 29.188 -27.621 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.315 26.442 -26.698 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.845 26.287 -28.149 1.00 0.00 C ATOM 1021 CD PRO A 66 -4.149 26.207 -28.943 1.00 0.00 C ATOM 0 HA PRO A 66 -5.288 27.048 -25.951 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.595 27.003 -26.103 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.443 25.474 -26.214 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.234 27.133 -28.465 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.240 25.390 -28.281 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.104 26.844 -29.827 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.328 25.190 -29.292 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.232 29.518 -26.126 1.00 0.00 N ATOM 1030 CA PRO A 67 -5.074 30.967 -26.125 1.00 0.00 C ATOM 1031 C PRO A 67 -3.827 31.346 -25.317 1.00 0.00 C ATOM 1032 O PRO A 67 -3.053 32.210 -25.725 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.355 31.510 -25.493 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.780 30.407 -24.522 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.294 29.124 -25.207 1.00 0.00 C ATOM 0 HA PRO A 67 -4.932 31.383 -27.123 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.177 32.452 -24.975 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.122 31.699 -26.244 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.323 30.537 -23.541 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.860 30.398 -24.372 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.925 28.409 -24.472 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.109 28.638 -25.743 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.634 30.678 -24.173 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.503 30.874 -23.273 1.00 0.00 C ATOM 1045 C VAL A 68 -1.212 30.692 -24.043 1.00 0.00 C ATOM 1046 O VAL A 68 -0.316 31.501 -23.871 1.00 0.00 O ATOM 1047 CB VAL A 68 -2.570 29.967 -22.032 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.183 29.692 -21.435 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -3.425 30.690 -20.989 1.00 0.00 C ATOM 0 H VAL A 68 -4.284 29.965 -23.843 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.544 31.893 -22.888 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.993 29.005 -22.320 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.284 29.048 -20.562 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.558 29.199 -22.179 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.721 30.634 -21.139 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.498 30.078 -20.090 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.964 31.646 -20.740 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.423 30.862 -21.392 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.122 29.667 -24.892 1.00 0.00 N ATOM 1060 CA PHE A 69 0.042 29.420 -25.741 1.00 0.00 C ATOM 1061 C PHE A 69 0.506 30.700 -26.442 1.00 0.00 C ATOM 1062 O PHE A 69 1.704 30.939 -26.567 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.321 28.321 -26.739 1.00 0.00 C ATOM 1064 CG PHE A 69 0.463 28.298 -28.031 1.00 0.00 C ATOM 1065 CD1 PHE A 69 1.708 27.651 -28.103 1.00 0.00 C ATOM 1066 CD2 PHE A 69 -0.068 28.933 -29.168 1.00 0.00 C ATOM 1067 CE1 PHE A 69 2.418 27.643 -29.317 1.00 0.00 C ATOM 1068 CE2 PHE A 69 0.641 28.924 -30.377 1.00 0.00 C ATOM 1069 CZ PHE A 69 1.885 28.276 -30.454 1.00 0.00 C ATOM 0 H PHE A 69 -1.865 28.978 -25.010 1.00 0.00 H new ATOM 0 HA PHE A 69 0.883 29.091 -25.131 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.195 27.357 -26.246 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.379 28.418 -26.983 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.117 27.163 -27.231 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.025 29.429 -29.109 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.376 27.149 -29.376 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.232 29.414 -31.248 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.431 28.264 -31.385 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.436 31.534 -26.887 1.00 0.00 N ATOM 1080 CA GLN A 70 -0.082 32.779 -27.566 1.00 0.00 C ATOM 1081 C GLN A 70 0.582 33.770 -26.601 1.00 0.00 C ATOM 1082 O GLN A 70 1.475 34.520 -26.995 1.00 0.00 O ATOM 1083 CB GLN A 70 -1.295 33.378 -28.292 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.870 34.460 -29.299 1.00 0.00 C ATOM 1085 CD GLN A 70 -1.196 35.873 -28.817 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -2.239 36.422 -29.157 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -0.303 36.476 -28.033 1.00 0.00 N ATOM 0 H GLN A 70 -1.438 31.372 -26.790 1.00 0.00 H new ATOM 0 HA GLN A 70 0.659 32.551 -28.333 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.836 32.588 -28.812 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.982 33.808 -27.563 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.202 34.381 -29.481 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.369 34.281 -30.251 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.554 35.990 -27.769 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.477 37.423 -27.697 1.00 0.00 H new ATOM 1096 N MET A 71 0.164 33.767 -25.332 1.00 0.00 N ATOM 1097 CA MET A 71 0.721 34.619 -24.298 1.00 0.00 C ATOM 1098 C MET A 71 2.054 34.028 -23.866 1.00 0.00 C ATOM 1099 O MET A 71 2.992 34.761 -23.602 1.00 0.00 O ATOM 1100 CB MET A 71 -0.157 34.714 -23.053 1.00 0.00 C ATOM 1101 CG MET A 71 -1.612 35.142 -23.273 1.00 0.00 C ATOM 1102 SD MET A 71 -2.353 36.104 -21.918 1.00 0.00 S ATOM 1103 CE MET A 71 -1.621 35.335 -20.445 1.00 0.00 C ATOM 0 H MET A 71 -0.584 33.159 -24.997 1.00 0.00 H new ATOM 0 HA MET A 71 0.811 35.619 -24.722 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.158 33.741 -22.561 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.305 35.419 -22.363 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.665 35.733 -24.187 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.216 34.249 -23.435 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.241 35.552 -19.575 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.563 34.256 -20.589 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.619 35.734 -20.286 1.00 0.00 H new ATOM 1113 N LEU A 72 2.139 32.699 -23.806 1.00 0.00 N ATOM 1114 CA LEU A 72 3.326 31.950 -23.473 1.00 0.00 C ATOM 1115 C LEU A 72 4.418 32.431 -24.398 1.00 0.00 C ATOM 1116 O LEU A 72 5.502 32.781 -23.955 1.00 0.00 O ATOM 1117 CB LEU A 72 3.041 30.454 -23.667 1.00 0.00 C ATOM 1118 CG LEU A 72 3.825 29.529 -22.745 1.00 0.00 C ATOM 1119 CD1 LEU A 72 3.609 28.128 -23.269 1.00 0.00 C ATOM 1120 CD2 LEU A 72 5.330 29.808 -22.742 1.00 0.00 C ATOM 0 H LEU A 72 1.338 32.098 -23.999 1.00 0.00 H new ATOM 0 HA LEU A 72 3.631 32.096 -22.437 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.976 30.279 -23.514 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.263 30.187 -24.700 1.00 0.00 H new ATOM 0 HG LEU A 72 3.475 29.677 -21.723 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.151 27.418 -22.644 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.545 27.892 -23.248 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.975 28.062 -24.293 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.827 29.114 -22.065 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.726 29.679 -23.749 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.510 30.830 -22.410 1.00 0.00 H new ATOM 1132 N LEU A 73 4.084 32.462 -25.684 1.00 0.00 N ATOM 1133 CA LEU A 73 4.978 32.899 -26.737 1.00 0.00 C ATOM 1134 C LEU A 73 5.351 34.365 -26.636 1.00 0.00 C ATOM 1135 O LEU A 73 6.472 34.745 -26.966 1.00 0.00 O ATOM 1136 CB LEU A 73 4.282 32.658 -28.081 1.00 0.00 C ATOM 1137 CG LEU A 73 4.643 31.343 -28.766 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.780 30.110 -27.862 1.00 0.00 C ATOM 1139 CD2 LEU A 73 3.558 31.038 -29.785 1.00 0.00 C ATOM 0 H LEU A 73 3.165 32.178 -26.024 1.00 0.00 H new ATOM 0 HA LEU A 73 5.903 32.330 -26.643 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.204 32.685 -27.925 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.528 33.480 -28.753 1.00 0.00 H new ATOM 0 HG LEU A 73 5.634 31.507 -29.189 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.038 29.242 -28.468 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.564 30.284 -27.125 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.835 29.927 -27.350 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.788 30.101 -30.293 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.597 30.949 -29.278 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.509 31.845 -30.517 1.00 0.00 H new ATOM 1151 N THR A 74 4.403 35.180 -26.192 1.00 0.00 N ATOM 1152 CA THR A 74 4.616 36.609 -26.052 1.00 0.00 C ATOM 1153 C THR A 74 5.422 36.891 -24.789 1.00 0.00 C ATOM 1154 O THR A 74 6.116 37.903 -24.730 1.00 0.00 O ATOM 1155 CB THR A 74 3.341 37.445 -26.250 1.00 0.00 C ATOM 1156 OG1 THR A 74 3.655 38.625 -26.962 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.698 37.861 -24.936 1.00 0.00 C ATOM 0 H THR A 74 3.470 34.868 -25.921 1.00 0.00 H new ATOM 0 HA THR A 74 5.231 36.960 -26.881 1.00 0.00 H new ATOM 0 HB THR A 74 2.639 36.815 -26.796 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.842 39.156 -27.089 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.803 38.448 -25.139 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.427 36.972 -24.366 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.403 38.461 -24.360 1.00 0.00 H new ATOM 1165 N LYS A 75 5.355 36.004 -23.787 1.00 0.00 N ATOM 1166 CA LYS A 75 6.103 36.177 -22.562 1.00 0.00 C ATOM 1167 C LYS A 75 7.625 36.125 -22.794 1.00 0.00 C ATOM 1168 O LYS A 75 8.343 36.823 -22.081 1.00 0.00 O ATOM 1169 CB LYS A 75 5.546 35.174 -21.538 1.00 0.00 C ATOM 1170 CG LYS A 75 4.461 35.796 -20.632 1.00 0.00 C ATOM 1171 CD LYS A 75 5.037 36.526 -19.408 1.00 0.00 C ATOM 1172 CE LYS A 75 5.570 35.544 -18.352 1.00 0.00 C ATOM 1173 NZ LYS A 75 6.095 36.255 -17.172 1.00 0.00 N ATOM 0 H LYS A 75 4.784 35.159 -23.814 1.00 0.00 H new ATOM 0 HA LYS A 75 5.968 37.177 -22.150 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.127 34.316 -22.065 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.362 34.801 -20.919 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.866 36.497 -21.218 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.786 35.010 -20.293 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.842 37.189 -19.726 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.265 37.153 -18.963 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.772 34.868 -18.046 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.358 34.930 -18.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.447 35.564 -16.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.873 36.882 -17.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.336 36.821 -16.742 1.00 0.00 H new ATOM 1588 N LEU B 7 -4.600 13.509 -26.036 1.00 0.00 N ATOM 1589 CA LEU B 7 -3.229 13.248 -26.437 1.00 0.00 C ATOM 1590 C LEU B 7 -2.414 12.569 -25.351 1.00 0.00 C ATOM 1591 O LEU B 7 -1.644 11.680 -25.672 1.00 0.00 O ATOM 1592 CB LEU B 7 -2.533 14.480 -27.048 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.148 15.735 -26.227 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.280 16.485 -25.555 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.027 15.549 -25.202 1.00 0.00 C ATOM 0 HA LEU B 7 -3.289 12.523 -27.249 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.613 14.118 -27.506 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.176 14.827 -27.857 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.778 16.350 -27.047 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.878 17.341 -25.013 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -3.985 16.832 -26.310 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -3.792 15.822 -24.857 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.844 16.493 -24.688 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.320 14.791 -24.476 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.117 15.231 -25.711 1.00 0.00 H new ATOM 1607 N LEU B 8 -2.554 12.967 -24.085 1.00 0.00 N ATOM 1608 CA LEU B 8 -1.738 12.429 -23.003 1.00 0.00 C ATOM 1609 C LEU B 8 -1.891 10.922 -22.798 1.00 0.00 C ATOM 1610 O LEU B 8 -1.045 10.317 -22.145 1.00 0.00 O ATOM 1611 CB LEU B 8 -1.825 13.264 -21.717 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.304 14.728 -21.761 1.00 0.00 C ATOM 1613 CD1 LEU B 8 0.108 14.920 -22.360 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.367 15.717 -22.271 1.00 0.00 C ATOM 0 H LEU B 8 -3.233 13.667 -23.786 1.00 0.00 H new ATOM 0 HA LEU B 8 -0.705 12.535 -23.334 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.869 13.290 -21.406 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.274 12.737 -20.938 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.134 14.992 -20.717 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.370 15.978 -22.341 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.832 14.356 -21.772 1.00 0.00 H new ATOM 0 HD13 LEU B 8 0.118 14.562 -23.389 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.951 16.725 -22.282 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.669 15.438 -23.281 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.235 15.690 -21.612 1.00 0.00 H new