USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 517 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 LYS NZ :NH3+ -151:sc= 2.35 (180deg=1.11) USER MOD Set 1.2: A 42 HIS : no HE2:sc= -0.389 K(o=2,f=-4.8) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.08) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.74) 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 78:sc= 1.19 USER MOD Single : A 45 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0139 USER MOD Single : A 52 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.45) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 61 GLN : amide:sc= -1.13 K(o=-1.1,f=-2) USER MOD Single : A 62 GLN : amide:sc= -0.0881 K(o=-0.088,f=-1.1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -157:sc= -0.123 (180deg=-0.206) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.712 7.342 -14.708 1.00 0.00 N ATOM 205 CA GLU A 14 5.311 7.325 -14.319 1.00 0.00 C ATOM 206 C GLU A 14 4.994 8.482 -13.367 1.00 0.00 C ATOM 207 O GLU A 14 3.934 9.097 -13.459 1.00 0.00 O ATOM 208 CB GLU A 14 4.971 5.971 -13.676 1.00 0.00 C ATOM 209 CG GLU A 14 5.288 4.778 -14.595 1.00 0.00 C ATOM 210 CD GLU A 14 6.637 4.117 -14.304 1.00 0.00 C ATOM 211 OE1 GLU A 14 7.652 4.847 -14.285 1.00 0.00 O ATOM 212 OE2 GLU A 14 6.628 2.882 -14.111 1.00 0.00 O ATOM 0 HA GLU A 14 4.695 7.456 -15.208 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.529 5.865 -12.746 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.912 5.953 -13.417 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.499 4.033 -14.493 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.275 5.116 -15.631 1.00 0.00 H new ATOM 219 N ALA A 15 5.925 8.784 -12.456 1.00 0.00 N ATOM 220 CA ALA A 15 5.783 9.863 -11.485 1.00 0.00 C ATOM 221 C ALA A 15 5.923 11.223 -12.161 1.00 0.00 C ATOM 222 O ALA A 15 5.372 12.216 -11.688 1.00 0.00 O ATOM 223 CB ALA A 15 6.850 9.745 -10.398 1.00 0.00 C ATOM 0 H ALA A 15 6.807 8.278 -12.375 1.00 0.00 H new ATOM 0 HA ALA A 15 4.791 9.780 -11.041 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.731 10.557 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.742 8.789 -9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.839 9.804 -10.851 1.00 0.00 H new ATOM 229 N VAL A 16 6.666 11.259 -13.267 1.00 0.00 N ATOM 230 CA VAL A 16 6.887 12.475 -14.035 1.00 0.00 C ATOM 231 C VAL A 16 5.683 12.660 -14.944 1.00 0.00 C ATOM 232 O VAL A 16 5.243 13.787 -15.139 1.00 0.00 O ATOM 233 CB VAL A 16 8.237 12.421 -14.783 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.213 12.864 -16.247 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.345 13.111 -14.002 1.00 0.00 C ATOM 0 H VAL A 16 7.132 10.438 -13.654 1.00 0.00 H new ATOM 0 HA VAL A 16 6.968 13.349 -13.388 1.00 0.00 H new ATOM 0 HB VAL A 16 8.458 11.355 -14.839 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.215 12.784 -16.668 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.531 12.226 -16.809 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.875 13.899 -16.309 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.278 13.050 -14.563 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.083 14.157 -13.846 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.470 12.620 -13.037 1.00 0.00 H new ATOM 245 N GLN A 17 5.141 11.561 -15.484 1.00 0.00 N ATOM 246 CA GLN A 17 3.989 11.622 -16.363 1.00 0.00 C ATOM 247 C GLN A 17 2.772 12.066 -15.574 1.00 0.00 C ATOM 248 O GLN A 17 2.054 12.953 -16.028 1.00 0.00 O ATOM 249 CB GLN A 17 3.724 10.303 -17.107 1.00 0.00 C ATOM 250 CG GLN A 17 2.654 10.524 -18.188 1.00 0.00 C ATOM 251 CD GLN A 17 2.621 9.391 -19.211 1.00 0.00 C ATOM 252 OE1 GLN A 17 3.291 9.470 -20.236 1.00 0.00 O ATOM 253 NE2 GLN A 17 1.829 8.352 -18.951 1.00 0.00 N ATOM 0 H GLN A 17 5.492 10.617 -15.320 1.00 0.00 H new ATOM 0 HA GLN A 17 4.207 12.356 -17.139 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.645 9.940 -17.562 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.393 9.538 -16.405 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.676 10.612 -17.715 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.847 11.467 -18.700 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.289 8.326 -18.086 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.763 7.582 -19.617 1.00 0.00 H new ATOM 262 N LYS A 18 2.541 11.456 -14.404 1.00 0.00 N ATOM 263 CA LYS A 18 1.377 11.805 -13.601 1.00 0.00 C ATOM 264 C LYS A 18 1.394 13.284 -13.218 1.00 0.00 C ATOM 265 O LYS A 18 0.377 13.961 -13.335 1.00 0.00 O ATOM 266 CB LYS A 18 1.165 10.835 -12.424 1.00 0.00 C ATOM 267 CG LYS A 18 2.155 10.929 -11.255 1.00 0.00 C ATOM 268 CD LYS A 18 1.522 11.416 -9.942 1.00 0.00 C ATOM 269 CE LYS A 18 1.053 12.875 -9.964 1.00 0.00 C ATOM 270 NZ LYS A 18 0.513 13.298 -8.660 1.00 0.00 N ATOM 0 H LYS A 18 3.137 10.732 -14.003 1.00 0.00 H new ATOM 0 HA LYS A 18 0.486 11.675 -14.215 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.161 10.994 -12.031 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.197 9.818 -12.814 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.602 9.949 -11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.964 11.606 -11.530 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.671 10.778 -9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.246 11.293 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.887 13.521 -10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.289 12.999 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.025 14.210 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.159 12.584 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.292 13.399 -7.978 1.00 0.00 H new ATOM 284 N PHE A 19 2.550 13.789 -12.778 1.00 0.00 N ATOM 285 CA PHE A 19 2.708 15.183 -12.394 1.00 0.00 C ATOM 286 C PHE A 19 2.586 16.099 -13.617 1.00 0.00 C ATOM 287 O PHE A 19 1.889 17.111 -13.559 1.00 0.00 O ATOM 288 CB PHE A 19 4.047 15.379 -11.658 1.00 0.00 C ATOM 289 CG PHE A 19 4.570 16.791 -11.804 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.376 17.097 -12.912 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.240 17.797 -10.878 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.836 18.403 -13.097 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.719 19.108 -11.066 1.00 0.00 C ATOM 294 CZ PHE A 19 5.517 19.408 -12.186 1.00 0.00 C ATOM 0 H PHE A 19 3.401 13.236 -12.680 1.00 0.00 H new ATOM 0 HA PHE A 19 1.907 15.458 -11.707 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.917 15.147 -10.601 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.783 14.677 -12.050 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.640 16.325 -13.619 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.620 17.565 -10.024 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.446 18.637 -13.957 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.475 19.881 -10.353 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.881 20.413 -12.339 1.00 0.00 H new ATOM 304 N PHE A 20 3.274 15.751 -14.710 1.00 0.00 N ATOM 305 CA PHE A 20 3.280 16.528 -15.949 1.00 0.00 C ATOM 306 C PHE A 20 1.824 16.769 -16.359 1.00 0.00 C ATOM 307 O PHE A 20 1.417 17.904 -16.597 1.00 0.00 O ATOM 308 CB PHE A 20 4.091 15.766 -17.005 1.00 0.00 C ATOM 309 CG PHE A 20 4.096 16.252 -18.432 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.594 17.528 -18.731 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.628 15.417 -19.465 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.635 17.971 -20.062 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.672 15.860 -20.796 1.00 0.00 C ATOM 314 CZ PHE A 20 4.180 17.135 -21.092 1.00 0.00 C ATOM 0 H PHE A 20 3.849 14.910 -14.757 1.00 0.00 H new ATOM 0 HA PHE A 20 3.756 17.501 -15.827 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.126 15.740 -16.665 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.732 14.737 -17.012 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.946 18.170 -17.937 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.236 14.438 -19.233 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.017 18.955 -20.293 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.316 15.221 -21.591 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.221 17.473 -22.117 1.00 0.00 H new ATOM 324 N LEU A 21 1.034 15.688 -16.391 1.00 0.00 N ATOM 325 CA LEU A 21 -0.389 15.722 -16.694 1.00 0.00 C ATOM 326 C LEU A 21 -1.155 16.522 -15.649 1.00 0.00 C ATOM 327 O LEU A 21 -2.017 17.318 -16.014 1.00 0.00 O ATOM 328 CB LEU A 21 -0.944 14.284 -16.752 1.00 0.00 C ATOM 329 CG LEU A 21 -1.320 13.759 -18.145 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.545 12.246 -18.007 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.587 14.497 -18.600 1.00 0.00 C ATOM 0 H LEU A 21 1.381 14.748 -16.202 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.519 16.208 -17.661 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.201 13.612 -16.322 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.828 14.232 -16.116 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.545 13.932 -18.892 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.816 11.828 -18.977 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.630 11.773 -17.651 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.350 12.061 -17.295 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.878 14.144 -19.589 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.394 14.304 -17.893 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.389 15.568 -18.641 1.00 0.00 H new ATOM 343 N GLU A 22 -0.850 16.320 -14.364 1.00 0.00 N ATOM 344 CA GLU A 22 -1.514 17.047 -13.289 1.00 0.00 C ATOM 345 C GLU A 22 -1.371 18.557 -13.503 1.00 0.00 C ATOM 346 O GLU A 22 -2.290 19.303 -13.189 1.00 0.00 O ATOM 347 CB GLU A 22 -0.964 16.623 -11.915 1.00 0.00 C ATOM 348 CG GLU A 22 -1.786 17.176 -10.743 1.00 0.00 C ATOM 349 CD GLU A 22 -1.213 16.724 -9.404 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.873 15.526 -9.287 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.104 17.587 -8.509 1.00 0.00 O ATOM 0 H GLU A 22 -0.144 15.656 -14.047 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.575 16.799 -13.307 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.946 15.535 -11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.067 16.964 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.799 18.265 -10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.820 16.841 -10.831 1.00 0.00 H new ATOM 358 N GLU A 23 -0.228 18.999 -14.038 1.00 0.00 N ATOM 359 CA GLU A 23 0.091 20.397 -14.286 1.00 0.00 C ATOM 360 C GLU A 23 -0.587 20.862 -15.577 1.00 0.00 C ATOM 361 O GLU A 23 -1.181 21.935 -15.603 1.00 0.00 O ATOM 362 CB GLU A 23 1.616 20.566 -14.292 1.00 0.00 C ATOM 363 CG GLU A 23 2.017 22.010 -13.999 1.00 0.00 C ATOM 364 CD GLU A 23 3.501 22.084 -13.665 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.284 21.458 -14.411 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.823 22.741 -12.651 1.00 0.00 O ATOM 0 H GLU A 23 0.522 18.367 -14.318 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.297 21.037 -13.494 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.060 19.905 -13.547 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.013 20.266 -15.262 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.799 22.638 -14.863 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.429 22.397 -13.167 1.00 0.00 H new ATOM 373 N ILE A 24 -0.526 20.037 -16.631 1.00 0.00 N ATOM 374 CA ILE A 24 -1.185 20.287 -17.922 1.00 0.00 C ATOM 375 C ILE A 24 -2.674 20.584 -17.641 1.00 0.00 C ATOM 376 O ILE A 24 -3.233 21.575 -18.127 1.00 0.00 O ATOM 377 CB ILE A 24 -0.954 19.092 -18.926 1.00 0.00 C ATOM 378 CG1 ILE A 24 0.108 19.313 -20.043 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.247 18.543 -19.545 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.192 18.545 -21.338 1.00 0.00 C ATOM 0 H ILE A 24 -0.007 19.159 -16.611 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.749 21.153 -18.421 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.530 18.343 -18.257 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.170 20.378 -20.268 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.085 19.009 -19.668 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.007 17.724 -20.223 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.903 18.178 -18.754 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.751 19.336 -20.097 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.590 18.747 -22.070 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.225 17.476 -21.128 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.154 18.866 -21.737 1.00 0.00 H new ATOM 392 N GLN A 25 -3.314 19.713 -16.846 1.00 0.00 N ATOM 393 CA GLN A 25 -4.734 19.822 -16.533 1.00 0.00 C ATOM 394 C GLN A 25 -5.046 20.909 -15.508 1.00 0.00 C ATOM 395 O GLN A 25 -6.037 21.622 -15.651 1.00 0.00 O ATOM 396 CB GLN A 25 -5.348 18.449 -16.243 1.00 0.00 C ATOM 397 CG GLN A 25 -5.117 18.020 -14.800 1.00 0.00 C ATOM 398 CD GLN A 25 -5.544 16.581 -14.528 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.152 15.928 -15.372 1.00 0.00 O ATOM 400 NE2 GLN A 25 -5.238 16.080 -13.331 1.00 0.00 N ATOM 0 H GLN A 25 -2.855 18.916 -16.405 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.244 20.180 -17.427 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.418 18.479 -16.446 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.916 17.708 -16.916 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.060 18.131 -14.559 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.667 18.687 -14.136 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.732 16.650 -12.654 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.510 15.126 -13.093 1.00 0.00 H new ATOM 409 N LEU A 26 -4.199 21.047 -14.486 1.00 0.00 N ATOM 410 CA LEU A 26 -4.353 22.062 -13.442 1.00 0.00 C ATOM 411 C LEU A 26 -4.301 23.436 -14.107 1.00 0.00 C ATOM 412 O LEU A 26 -5.131 24.293 -13.813 1.00 0.00 O ATOM 413 CB LEU A 26 -3.306 21.830 -12.337 1.00 0.00 C ATOM 414 CG LEU A 26 -3.109 22.847 -11.213 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.565 24.193 -11.681 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.382 23.010 -10.403 1.00 0.00 C ATOM 0 H LEU A 26 -3.380 20.452 -14.359 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.316 21.997 -12.936 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.545 20.876 -11.866 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.342 21.709 -12.831 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.333 22.435 -10.568 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.454 24.858 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.595 24.048 -12.156 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.257 24.636 -12.397 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.217 23.739 -9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.185 23.357 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.659 22.052 -9.964 1.00 0.00 H new ATOM 428 N GLY A 27 -3.349 23.635 -15.025 1.00 0.00 N ATOM 429 CA GLY A 27 -3.213 24.873 -15.776 1.00 0.00 C ATOM 430 C GLY A 27 -4.483 25.086 -16.578 1.00 0.00 C ATOM 431 O GLY A 27 -5.171 26.070 -16.332 1.00 0.00 O ATOM 0 H GLY A 27 -2.650 22.932 -15.264 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.046 25.711 -15.099 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.349 24.822 -16.439 1.00 0.00 H new ATOM 435 N GLU A 28 -4.812 24.183 -17.514 1.00 0.00 N ATOM 436 CA GLU A 28 -6.041 24.347 -18.294 1.00 0.00 C ATOM 437 C GLU A 28 -7.265 24.707 -17.429 1.00 0.00 C ATOM 438 O GLU A 28 -8.028 25.603 -17.779 1.00 0.00 O ATOM 439 CB GLU A 28 -6.265 23.140 -19.208 1.00 0.00 C ATOM 440 CG GLU A 28 -7.232 23.470 -20.360 1.00 0.00 C ATOM 441 CD GLU A 28 -8.617 22.860 -20.176 1.00 0.00 C ATOM 442 OE1 GLU A 28 -8.702 21.615 -20.251 1.00 0.00 O ATOM 443 OE2 GLU A 28 -9.570 23.648 -19.999 1.00 0.00 O ATOM 0 H GLU A 28 -4.261 23.356 -17.743 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.909 25.215 -18.940 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.310 22.811 -19.617 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.664 22.310 -18.624 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.328 24.552 -20.447 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.806 23.112 -21.297 1.00 0.00 H new ATOM 450 N GLU A 29 -7.425 24.043 -16.280 1.00 0.00 N ATOM 451 CA GLU A 29 -8.507 24.307 -15.325 1.00 0.00 C ATOM 452 C GLU A 29 -8.393 25.729 -14.756 1.00 0.00 C ATOM 453 O GLU A 29 -9.384 26.451 -14.690 1.00 0.00 O ATOM 454 CB GLU A 29 -8.517 23.237 -14.221 1.00 0.00 C ATOM 455 CG GLU A 29 -9.580 23.435 -13.131 1.00 0.00 C ATOM 456 CD GLU A 29 -10.993 23.176 -13.637 1.00 0.00 C ATOM 457 OE1 GLU A 29 -11.347 21.981 -13.739 1.00 0.00 O ATOM 458 OE2 GLU A 29 -11.707 24.167 -13.895 1.00 0.00 O ATOM 0 H GLU A 29 -6.798 23.296 -15.982 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.463 24.248 -15.845 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.670 22.262 -14.683 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.535 23.215 -13.749 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.369 22.766 -12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.516 24.453 -12.747 1.00 0.00 H new ATOM 465 N LEU A 30 -7.198 26.175 -14.352 1.00 0.00 N ATOM 466 CA LEU A 30 -7.022 27.534 -13.845 1.00 0.00 C ATOM 467 C LEU A 30 -7.395 28.537 -14.937 1.00 0.00 C ATOM 468 O LEU A 30 -8.042 29.549 -14.667 1.00 0.00 O ATOM 469 CB LEU A 30 -5.579 27.775 -13.358 1.00 0.00 C ATOM 470 CG LEU A 30 -5.291 27.525 -11.866 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.814 27.842 -11.604 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.125 28.426 -10.940 1.00 0.00 C ATOM 0 H LEU A 30 -6.345 25.616 -14.367 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.680 27.670 -12.987 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.914 27.139 -13.942 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.313 28.807 -13.585 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.545 26.487 -11.653 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.586 27.672 -10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.188 27.196 -12.220 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.616 28.884 -11.854 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.880 28.206 -9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.901 29.472 -11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.185 28.240 -11.110 1.00 0.00 H new ATOM 484 N LEU A 31 -7.017 28.253 -16.184 1.00 0.00 N ATOM 485 CA LEU A 31 -7.363 29.107 -17.318 1.00 0.00 C ATOM 486 C LEU A 31 -8.867 29.067 -17.528 1.00 0.00 C ATOM 487 O LEU A 31 -9.460 30.080 -17.889 1.00 0.00 O ATOM 488 CB LEU A 31 -6.590 28.662 -18.542 1.00 0.00 C ATOM 489 CG LEU A 31 -5.113 29.067 -18.440 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.494 29.202 -17.040 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.350 28.007 -19.211 1.00 0.00 C ATOM 0 H LEU A 31 -6.467 27.431 -16.434 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.085 30.143 -17.123 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.667 27.580 -18.651 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.031 29.105 -19.435 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.048 30.083 -18.830 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.448 29.493 -17.131 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.034 29.962 -16.475 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.561 28.247 -16.519 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.284 28.232 -19.181 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.528 27.031 -18.760 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.689 27.995 -20.247 1.00 0.00 H new ATOM 503 N ALA A 32 -9.483 27.919 -17.236 1.00 0.00 N ATOM 504 CA ALA A 32 -10.930 27.783 -17.271 1.00 0.00 C ATOM 505 C ALA A 32 -11.576 28.786 -16.303 1.00 0.00 C ATOM 506 O ALA A 32 -12.744 29.132 -16.471 1.00 0.00 O ATOM 507 CB ALA A 32 -11.368 26.346 -16.968 1.00 0.00 C ATOM 0 H ALA A 32 -8.991 27.066 -16.971 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.273 28.010 -18.281 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.456 26.282 -17.003 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.941 25.671 -17.710 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.020 26.061 -15.975 1.00 0.00 H new ATOM 513 N GLN A 33 -10.809 29.273 -15.313 1.00 0.00 N ATOM 514 CA GLN A 33 -11.234 30.269 -14.345 1.00 0.00 C ATOM 515 C GLN A 33 -10.848 31.654 -14.873 1.00 0.00 C ATOM 516 O GLN A 33 -11.588 32.618 -14.690 1.00 0.00 O ATOM 517 CB GLN A 33 -10.616 29.965 -12.971 1.00 0.00 C ATOM 518 CG GLN A 33 -11.707 29.977 -11.895 1.00 0.00 C ATOM 519 CD GLN A 33 -11.132 29.788 -10.493 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.359 28.764 -9.855 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.391 30.781 -9.999 1.00 0.00 N ATOM 0 H GLN A 33 -9.847 28.967 -15.170 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.315 30.245 -14.211 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.123 28.993 -12.991 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.851 30.705 -12.735 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.250 30.921 -11.940 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.427 29.185 -12.101 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.223 31.618 -10.557 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.993 30.703 -9.063 1.00 0.00 H new ATOM 530 N GLY A 34 -9.693 31.728 -15.544 1.00 0.00 N ATOM 531 CA GLY A 34 -9.145 32.916 -16.177 1.00 0.00 C ATOM 532 C GLY A 34 -7.724 33.250 -15.729 1.00 0.00 C ATOM 533 O GLY A 34 -7.292 34.379 -15.957 1.00 0.00 O ATOM 0 H GLY A 34 -9.090 30.914 -15.662 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.152 32.777 -17.258 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.794 33.765 -15.960 1.00 0.00 H new ATOM 537 N ASP A 35 -6.986 32.319 -15.102 1.00 0.00 N ATOM 538 CA ASP A 35 -5.629 32.624 -14.627 1.00 0.00 C ATOM 539 C ASP A 35 -4.524 32.284 -15.638 1.00 0.00 C ATOM 540 O ASP A 35 -3.570 31.569 -15.338 1.00 0.00 O ATOM 541 CB ASP A 35 -5.413 32.020 -13.231 1.00 0.00 C ATOM 542 CG ASP A 35 -4.284 32.695 -12.454 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.505 33.451 -13.077 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.205 32.419 -11.237 1.00 0.00 O ATOM 0 H ASP A 35 -7.300 31.367 -14.915 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.546 33.707 -14.531 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.338 32.101 -12.660 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.192 30.957 -13.332 1.00 0.00 H new ATOM 549 N TYR A 36 -4.655 32.831 -16.849 1.00 0.00 N ATOM 550 CA TYR A 36 -3.742 32.705 -17.978 1.00 0.00 C ATOM 551 C TYR A 36 -2.272 32.859 -17.617 1.00 0.00 C ATOM 552 O TYR A 36 -1.444 32.085 -18.096 1.00 0.00 O ATOM 553 CB TYR A 36 -4.168 33.633 -19.124 1.00 0.00 C ATOM 554 CG TYR A 36 -4.736 34.975 -18.704 1.00 0.00 C ATOM 555 CD1 TYR A 36 -3.884 36.031 -18.332 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.132 35.163 -18.682 1.00 0.00 C ATOM 557 CE1 TYR A 36 -4.428 37.264 -17.937 1.00 0.00 C ATOM 558 CE2 TYR A 36 -6.674 36.397 -18.289 1.00 0.00 C ATOM 559 CZ TYR A 36 -5.821 37.449 -17.915 1.00 0.00 C ATOM 560 OH TYR A 36 -6.342 38.650 -17.530 1.00 0.00 O ATOM 0 H TYR A 36 -5.460 33.414 -17.078 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.823 31.674 -18.323 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.304 33.809 -19.765 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.914 33.116 -19.728 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.813 35.894 -18.350 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.788 34.354 -18.969 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.773 38.073 -17.649 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.745 36.537 -18.274 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.320 38.611 -17.572 1.00 0.00 H new ATOM 570 N GLU A 37 -1.944 33.838 -16.775 1.00 0.00 N ATOM 571 CA GLU A 37 -0.555 34.049 -16.378 1.00 0.00 C ATOM 572 C GLU A 37 -0.019 32.849 -15.608 1.00 0.00 C ATOM 573 O GLU A 37 1.134 32.457 -15.792 1.00 0.00 O ATOM 574 CB GLU A 37 -0.327 35.378 -15.650 1.00 0.00 C ATOM 575 CG GLU A 37 -0.456 36.571 -16.610 1.00 0.00 C ATOM 576 CD GLU A 37 0.421 37.737 -16.162 1.00 0.00 C ATOM 577 OE1 GLU A 37 0.144 38.261 -15.062 1.00 0.00 O ATOM 578 OE2 GLU A 37 1.364 38.068 -16.918 1.00 0.00 O ATOM 0 H GLU A 37 -2.611 34.489 -16.360 1.00 0.00 H new ATOM 0 HA GLU A 37 0.028 34.133 -17.295 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.050 35.480 -14.841 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.663 35.380 -15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.171 36.264 -17.616 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.496 36.892 -16.657 1.00 0.00 H new ATOM 585 N LYS A 38 -0.869 32.240 -14.783 1.00 0.00 N ATOM 586 CA LYS A 38 -0.480 31.037 -14.064 1.00 0.00 C ATOM 587 C LYS A 38 -0.349 29.896 -15.063 1.00 0.00 C ATOM 588 O LYS A 38 0.504 29.034 -14.885 1.00 0.00 O ATOM 589 CB LYS A 38 -1.450 30.687 -12.926 1.00 0.00 C ATOM 590 CG LYS A 38 -0.925 31.163 -11.564 1.00 0.00 C ATOM 591 CD LYS A 38 0.116 30.134 -11.106 1.00 0.00 C ATOM 592 CE LYS A 38 1.074 30.616 -10.019 1.00 0.00 C ATOM 593 NZ LYS A 38 2.149 29.624 -9.815 1.00 0.00 N ATOM 0 H LYS A 38 -1.821 32.558 -14.600 1.00 0.00 H new ATOM 0 HA LYS A 38 0.480 31.215 -13.580 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.420 31.144 -13.122 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.605 29.608 -12.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.479 32.154 -11.647 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.738 31.239 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.407 29.250 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.701 29.823 -11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.504 31.577 -10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.531 30.772 -9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.482 29.671 -8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.783 28.670 -10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.939 29.831 -10.459 1.00 0.00 H new ATOM 607 N GLY A 39 -1.159 29.901 -16.127 1.00 0.00 N ATOM 608 CA GLY A 39 -1.055 28.899 -17.166 1.00 0.00 C ATOM 609 C GLY A 39 0.313 28.966 -17.816 1.00 0.00 C ATOM 610 O GLY A 39 0.881 27.929 -18.119 1.00 0.00 O ATOM 0 H GLY A 39 -1.892 30.594 -16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.218 27.907 -16.744 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.831 29.058 -17.915 1.00 0.00 H new ATOM 614 N VAL A 40 0.851 30.171 -18.034 1.00 0.00 N ATOM 615 CA VAL A 40 2.158 30.299 -18.658 1.00 0.00 C ATOM 616 C VAL A 40 3.219 29.648 -17.771 1.00 0.00 C ATOM 617 O VAL A 40 4.039 28.873 -18.253 1.00 0.00 O ATOM 618 CB VAL A 40 2.497 31.774 -18.969 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.884 31.848 -19.614 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.491 32.451 -19.917 1.00 0.00 C ATOM 0 H VAL A 40 0.404 31.055 -17.789 1.00 0.00 H new ATOM 0 HA VAL A 40 2.141 29.777 -19.615 1.00 0.00 H new ATOM 0 HB VAL A 40 2.460 32.305 -18.018 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.127 32.887 -19.835 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.626 31.439 -18.928 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.887 31.270 -20.538 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.793 33.484 -20.090 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.468 31.916 -20.866 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.498 32.434 -19.467 1.00 0.00 H new ATOM 630 N ASP A 41 3.197 29.967 -16.477 1.00 0.00 N ATOM 631 CA ASP A 41 4.140 29.457 -15.484 1.00 0.00 C ATOM 632 C ASP A 41 4.046 27.935 -15.371 1.00 0.00 C ATOM 633 O ASP A 41 5.033 27.214 -15.501 1.00 0.00 O ATOM 634 CB ASP A 41 3.880 30.148 -14.131 1.00 0.00 C ATOM 635 CG ASP A 41 4.556 29.465 -12.947 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.734 29.076 -13.094 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.876 29.358 -11.903 1.00 0.00 O ATOM 0 H ASP A 41 2.505 30.603 -16.081 1.00 0.00 H new ATOM 0 HA ASP A 41 5.157 29.687 -15.800 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.227 31.180 -14.189 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.805 30.182 -13.953 1.00 0.00 H new ATOM 642 N HIS A 42 2.837 27.453 -15.120 1.00 0.00 N ATOM 643 CA HIS A 42 2.548 26.042 -14.943 1.00 0.00 C ATOM 644 C HIS A 42 2.833 25.265 -16.216 1.00 0.00 C ATOM 645 O HIS A 42 3.337 24.146 -16.151 1.00 0.00 O ATOM 646 CB HIS A 42 1.111 25.852 -14.453 1.00 0.00 C ATOM 647 CG HIS A 42 0.905 26.306 -13.029 1.00 0.00 C ATOM 648 ND1 HIS A 42 -0.349 26.338 -12.445 1.00 0.00 N ATOM 649 CD2 HIS A 42 1.769 26.743 -12.048 1.00 0.00 C ATOM 650 CE1 HIS A 42 -0.194 26.771 -11.184 1.00 0.00 C ATOM 651 NE2 HIS A 42 1.077 27.041 -10.875 1.00 0.00 N ATOM 0 H HIS A 42 2.013 28.048 -15.032 1.00 0.00 H new ATOM 0 HA HIS A 42 3.210 25.639 -14.176 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.435 26.405 -15.105 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.842 24.799 -14.535 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -1.229 26.080 -12.891 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.837 26.841 -12.171 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.013 26.889 -10.490 1.00 0.00 H new ATOM 659 N LEU A 43 2.541 25.848 -17.384 1.00 0.00 N ATOM 660 CA LEU A 43 2.843 25.131 -18.608 1.00 0.00 C ATOM 661 C LEU A 43 4.362 25.096 -18.712 1.00 0.00 C ATOM 662 O LEU A 43 4.918 24.043 -18.993 1.00 0.00 O ATOM 663 CB LEU A 43 2.163 25.728 -19.850 1.00 0.00 C ATOM 664 CG LEU A 43 1.912 24.635 -20.905 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.535 23.989 -20.699 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.928 25.223 -22.316 1.00 0.00 C ATOM 0 H LEU A 43 2.117 26.769 -17.499 1.00 0.00 H new ATOM 0 HA LEU A 43 2.436 24.121 -18.570 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.218 26.192 -19.567 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.790 26.513 -20.273 1.00 0.00 H new ATOM 0 HG LEU A 43 2.705 23.896 -20.791 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.377 23.219 -21.455 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.489 23.539 -19.707 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.241 24.750 -20.788 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.748 24.431 -23.042 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.148 25.979 -22.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.899 25.679 -22.509 1.00 0.00 H new ATOM 678 N THR A 44 5.041 26.225 -18.448 1.00 0.00 N ATOM 679 CA THR A 44 6.503 26.283 -18.496 1.00 0.00 C ATOM 680 C THR A 44 7.113 25.159 -17.644 1.00 0.00 C ATOM 681 O THR A 44 8.110 24.540 -18.021 1.00 0.00 O ATOM 682 CB THR A 44 7.048 27.671 -18.120 1.00 0.00 C ATOM 683 OG1 THR A 44 6.636 28.609 -19.091 1.00 0.00 O ATOM 684 CG2 THR A 44 8.582 27.682 -18.108 1.00 0.00 C ATOM 0 H THR A 44 4.596 27.108 -18.199 1.00 0.00 H new ATOM 0 HA THR A 44 6.810 26.120 -19.529 1.00 0.00 H new ATOM 0 HB THR A 44 6.669 27.919 -17.129 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.697 28.846 -18.939 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.937 28.677 -17.839 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.945 26.958 -17.379 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.955 27.419 -19.098 1.00 0.00 H new ATOM 692 N ASN A 45 6.492 24.884 -16.494 1.00 0.00 N ATOM 693 CA ASN A 45 6.938 23.832 -15.584 1.00 0.00 C ATOM 694 C ASN A 45 6.751 22.466 -16.253 1.00 0.00 C ATOM 695 O ASN A 45 7.643 21.609 -16.204 1.00 0.00 O ATOM 696 CB ASN A 45 6.246 23.923 -14.219 1.00 0.00 C ATOM 697 CG ASN A 45 6.932 24.910 -13.277 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.756 24.516 -12.456 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.607 26.195 -13.384 1.00 0.00 N ATOM 0 H ASN A 45 5.666 25.386 -16.170 1.00 0.00 H new ATOM 0 HA ASN A 45 8.000 23.967 -15.380 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.208 24.224 -14.361 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.231 22.936 -13.757 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.046 26.885 -12.774 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.919 26.491 -14.076 1.00 0.00 H new ATOM 706 N ALA A 46 5.606 22.272 -16.917 1.00 0.00 N ATOM 707 CA ALA A 46 5.332 21.041 -17.636 1.00 0.00 C ATOM 708 C ALA A 46 6.483 20.806 -18.634 1.00 0.00 C ATOM 709 O ALA A 46 7.040 19.710 -18.707 1.00 0.00 O ATOM 710 CB ALA A 46 3.923 21.077 -18.248 1.00 0.00 C ATOM 0 H ALA A 46 4.856 22.961 -16.966 1.00 0.00 H new ATOM 0 HA ALA A 46 5.310 20.176 -16.974 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.735 20.146 -18.783 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.185 21.195 -17.455 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.849 21.915 -18.941 1.00 0.00 H new ATOM 716 N ILE A 47 6.889 21.850 -19.372 1.00 0.00 N ATOM 717 CA ILE A 47 8.019 21.754 -20.296 1.00 0.00 C ATOM 718 C ILE A 47 9.319 21.450 -19.547 1.00 0.00 C ATOM 719 O ILE A 47 10.187 20.765 -20.081 1.00 0.00 O ATOM 720 CB ILE A 47 8.192 23.010 -21.185 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.066 23.194 -22.235 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.565 22.993 -21.883 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.778 23.748 -21.639 1.00 0.00 C ATOM 0 H ILE A 47 6.448 22.769 -19.344 1.00 0.00 H new ATOM 0 HA ILE A 47 7.789 20.925 -20.965 1.00 0.00 H new ATOM 0 HB ILE A 47 8.127 23.864 -20.510 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.415 23.866 -23.019 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.857 22.234 -22.707 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.669 23.883 -22.503 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.355 22.980 -21.132 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.644 22.104 -22.508 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.030 23.854 -22.424 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.408 23.065 -20.874 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.974 24.722 -21.191 1.00 0.00 H new ATOM 735 N ALA A 48 9.465 21.958 -18.325 1.00 0.00 N ATOM 736 CA ALA A 48 10.665 21.767 -17.522 1.00 0.00 C ATOM 737 C ALA A 48 10.863 20.301 -17.195 1.00 0.00 C ATOM 738 O ALA A 48 12.002 19.859 -17.052 1.00 0.00 O ATOM 739 CB ALA A 48 10.669 22.618 -16.250 1.00 0.00 C ATOM 0 H ALA A 48 8.748 22.517 -17.863 1.00 0.00 H new ATOM 0 HA ALA A 48 11.506 22.109 -18.126 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.587 22.434 -15.692 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.612 23.673 -16.518 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.810 22.354 -15.633 1.00 0.00 H new ATOM 745 N VAL A 49 9.762 19.550 -17.099 1.00 0.00 N ATOM 746 CA VAL A 49 9.845 18.133 -16.802 1.00 0.00 C ATOM 747 C VAL A 49 9.723 17.286 -18.069 1.00 0.00 C ATOM 748 O VAL A 49 10.092 16.114 -18.041 1.00 0.00 O ATOM 749 CB VAL A 49 8.815 17.761 -15.733 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.979 18.690 -14.528 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.355 17.790 -16.194 1.00 0.00 C ATOM 0 H VAL A 49 8.813 19.904 -17.223 1.00 0.00 H new ATOM 0 HA VAL A 49 10.832 17.914 -16.394 1.00 0.00 H new ATOM 0 HB VAL A 49 9.022 16.721 -15.479 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.247 18.428 -13.764 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.984 18.582 -14.120 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.823 19.723 -14.841 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.706 17.512 -15.364 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.100 18.794 -16.533 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.218 17.085 -17.014 1.00 0.00 H new ATOM 761 N CYS A 50 9.234 17.859 -19.177 1.00 0.00 N ATOM 762 CA CYS A 50 9.109 17.118 -20.430 1.00 0.00 C ATOM 763 C CYS A 50 10.393 17.201 -21.264 1.00 0.00 C ATOM 764 O CYS A 50 10.872 16.183 -21.759 1.00 0.00 O ATOM 765 CB CYS A 50 7.868 17.595 -21.180 1.00 0.00 C ATOM 766 SG CYS A 50 7.854 16.999 -22.889 1.00 0.00 S ATOM 0 H CYS A 50 8.921 18.829 -19.227 1.00 0.00 H new ATOM 0 HA CYS A 50 8.976 16.058 -20.214 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.974 17.245 -20.665 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.834 18.684 -21.173 1.00 0.00 H new ATOM 0 HG CYS A 50 6.782 17.425 -23.489 1.00 0.00 H new ATOM 772 N GLY A 51 10.953 18.404 -21.420 1.00 0.00 N ATOM 773 CA GLY A 51 12.178 18.639 -22.176 1.00 0.00 C ATOM 774 C GLY A 51 11.966 18.578 -23.690 1.00 0.00 C ATOM 775 O GLY A 51 12.908 18.321 -24.436 1.00 0.00 O ATOM 0 H GLY A 51 10.558 19.253 -21.016 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.581 19.616 -21.910 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.924 17.898 -21.889 1.00 0.00 H new ATOM 779 N GLN A 52 10.733 18.822 -24.145 1.00 0.00 N ATOM 780 CA GLN A 52 10.352 18.815 -25.553 1.00 0.00 C ATOM 781 C GLN A 52 9.182 19.791 -25.702 1.00 0.00 C ATOM 782 O GLN A 52 8.053 19.354 -25.933 1.00 0.00 O ATOM 783 CB GLN A 52 10.022 17.375 -25.981 1.00 0.00 C ATOM 784 CG GLN A 52 9.967 17.239 -27.508 1.00 0.00 C ATOM 785 CD GLN A 52 11.323 17.441 -28.178 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.517 18.414 -28.903 1.00 0.00 O ATOM 787 NE2 GLN A 52 12.265 16.530 -27.941 1.00 0.00 N ATOM 0 H GLN A 52 9.953 19.035 -23.523 1.00 0.00 H new ATOM 0 HA GLN A 52 11.155 19.144 -26.213 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.774 16.695 -25.581 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.064 17.078 -25.554 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.586 16.251 -27.765 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.260 17.967 -27.906 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.065 15.736 -27.333 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.187 16.626 -28.368 1.00 0.00 H new ATOM 796 N PRO A 53 9.419 21.113 -25.562 1.00 0.00 N ATOM 797 CA PRO A 53 8.362 22.102 -25.666 1.00 0.00 C ATOM 798 C PRO A 53 7.532 21.965 -26.932 1.00 0.00 C ATOM 799 O PRO A 53 6.314 21.871 -26.862 1.00 0.00 O ATOM 800 CB PRO A 53 9.040 23.480 -25.627 1.00 0.00 C ATOM 801 CG PRO A 53 10.515 23.189 -25.891 1.00 0.00 C ATOM 802 CD PRO A 53 10.684 21.799 -25.290 1.00 0.00 C ATOM 0 HA PRO A 53 7.663 21.961 -24.841 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.626 24.147 -26.383 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.898 23.965 -24.661 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.748 23.203 -26.956 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.166 23.921 -25.413 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.524 21.272 -25.743 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.882 21.853 -24.219 1.00 0.00 H new ATOM 810 N GLN A 54 8.209 21.989 -28.077 1.00 0.00 N ATOM 811 CA GLN A 54 7.600 21.959 -29.398 1.00 0.00 C ATOM 812 C GLN A 54 6.674 20.766 -29.595 1.00 0.00 C ATOM 813 O GLN A 54 5.572 20.941 -30.117 1.00 0.00 O ATOM 814 CB GLN A 54 8.686 22.042 -30.484 1.00 0.00 C ATOM 815 CG GLN A 54 9.633 23.252 -30.341 1.00 0.00 C ATOM 816 CD GLN A 54 10.570 23.367 -31.541 1.00 0.00 C ATOM 817 OE1 GLN A 54 11.765 23.110 -31.428 1.00 0.00 O ATOM 818 NE2 GLN A 54 10.034 23.757 -32.697 1.00 0.00 N ATOM 0 H GLN A 54 9.228 22.031 -28.109 1.00 0.00 H new ATOM 0 HA GLN A 54 6.960 22.837 -29.488 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.278 21.127 -30.461 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.204 22.085 -31.461 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.047 24.166 -30.245 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.219 23.152 -29.427 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.036 23.962 -32.753 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.621 23.850 -33.526 1.00 0.00 H new ATOM 827 N GLN A 55 7.095 19.566 -29.174 1.00 0.00 N ATOM 828 CA GLN A 55 6.235 18.400 -29.315 1.00 0.00 C ATOM 829 C GLN A 55 4.949 18.634 -28.537 1.00 0.00 C ATOM 830 O GLN A 55 3.856 18.382 -29.041 1.00 0.00 O ATOM 831 CB GLN A 55 6.933 17.093 -28.913 1.00 0.00 C ATOM 832 CG GLN A 55 6.074 15.851 -29.206 1.00 0.00 C ATOM 833 CD GLN A 55 5.604 15.784 -30.659 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.410 15.682 -30.924 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.536 15.871 -31.608 1.00 0.00 N ATOM 0 H GLN A 55 8.003 19.386 -28.745 1.00 0.00 H new ATOM 0 HA GLN A 55 5.992 18.274 -30.370 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.879 17.011 -29.448 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.170 17.124 -27.850 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.649 14.955 -28.973 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.205 15.852 -28.548 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.519 15.955 -31.351 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.266 15.854 -32.591 1.00 0.00 H new ATOM 844 N LEU A 56 5.081 19.146 -27.314 1.00 0.00 N ATOM 845 CA LEU A 56 3.918 19.437 -26.512 1.00 0.00 C ATOM 846 C LEU A 56 3.080 20.543 -27.161 1.00 0.00 C ATOM 847 O LEU A 56 1.858 20.470 -27.161 1.00 0.00 O ATOM 848 CB LEU A 56 4.283 19.728 -25.048 1.00 0.00 C ATOM 849 CG LEU A 56 3.049 19.803 -24.130 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.314 18.451 -23.967 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.511 20.354 -22.778 1.00 0.00 C ATOM 0 H LEU A 56 5.974 19.362 -26.871 1.00 0.00 H new ATOM 0 HA LEU A 56 3.293 18.545 -26.478 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.954 18.950 -24.684 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.828 20.670 -24.994 1.00 0.00 H new ATOM 0 HG LEU A 56 2.313 20.462 -24.590 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.456 18.581 -23.307 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.973 18.102 -24.942 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.995 17.716 -23.537 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.659 20.420 -22.102 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.262 19.689 -22.351 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.942 21.346 -22.917 1.00 0.00 H new ATOM 863 N LEU A 57 3.695 21.581 -27.734 1.00 0.00 N ATOM 864 CA LEU A 57 2.905 22.646 -28.345 1.00 0.00 C ATOM 865 C LEU A 57 2.071 22.129 -29.520 1.00 0.00 C ATOM 866 O LEU A 57 0.915 22.531 -29.653 1.00 0.00 O ATOM 867 CB LEU A 57 3.734 23.898 -28.672 1.00 0.00 C ATOM 868 CG LEU A 57 4.565 24.486 -27.508 1.00 0.00 C ATOM 869 CD1 LEU A 57 4.880 25.953 -27.801 1.00 0.00 C ATOM 870 CD2 LEU A 57 3.929 24.396 -26.107 1.00 0.00 C ATOM 0 H LEU A 57 4.706 21.704 -27.787 1.00 0.00 H new ATOM 0 HA LEU A 57 2.190 22.983 -27.595 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.412 23.656 -29.490 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.058 24.672 -29.036 1.00 0.00 H new ATOM 0 HG LEU A 57 5.457 23.861 -27.466 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.466 26.370 -26.982 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.449 26.025 -28.728 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.950 26.512 -27.903 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.602 24.839 -25.373 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.981 24.934 -26.102 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.754 23.350 -25.854 1.00 0.00 H new ATOM 882 N GLN A 58 2.604 21.221 -30.351 1.00 0.00 N ATOM 883 CA GLN A 58 1.787 20.676 -31.432 1.00 0.00 C ATOM 884 C GLN A 58 0.667 19.823 -30.828 1.00 0.00 C ATOM 885 O GLN A 58 -0.471 19.882 -31.285 1.00 0.00 O ATOM 886 CB GLN A 58 2.599 19.945 -32.514 1.00 0.00 C ATOM 887 CG GLN A 58 3.391 18.732 -32.022 1.00 0.00 C ATOM 888 CD GLN A 58 4.004 17.940 -33.172 1.00 0.00 C ATOM 889 OE1 GLN A 58 5.218 17.948 -33.363 1.00 0.00 O ATOM 890 NE2 GLN A 58 3.171 17.241 -33.941 1.00 0.00 N ATOM 0 H GLN A 58 3.558 20.863 -30.297 1.00 0.00 H new ATOM 0 HA GLN A 58 1.338 21.507 -31.975 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.918 19.620 -33.300 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.293 20.653 -32.966 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.182 19.065 -31.350 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.734 18.081 -31.444 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.169 17.257 -33.753 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.536 16.689 -34.718 1.00 0.00 H new ATOM 899 N VAL A 59 0.985 19.051 -29.780 1.00 0.00 N ATOM 900 CA VAL A 59 0.021 18.199 -29.091 1.00 0.00 C ATOM 901 C VAL A 59 -1.105 19.022 -28.467 1.00 0.00 C ATOM 902 O VAL A 59 -2.249 18.579 -28.430 1.00 0.00 O ATOM 903 CB VAL A 59 0.720 17.233 -28.107 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.560 17.550 -26.612 1.00 0.00 C ATOM 905 CG2 VAL A 59 0.329 15.791 -28.325 1.00 0.00 C ATOM 0 H VAL A 59 1.926 19.004 -29.388 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.463 17.558 -29.828 1.00 0.00 H new ATOM 0 HB VAL A 59 1.770 17.392 -28.354 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.093 16.804 -26.023 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.970 18.538 -26.404 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.497 17.533 -26.348 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.851 15.160 -27.606 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.747 15.681 -28.190 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.601 15.489 -29.337 1.00 0.00 H new ATOM 915 N LEU A 60 -0.797 20.231 -28.000 1.00 0.00 N ATOM 916 CA LEU A 60 -1.793 21.108 -27.408 1.00 0.00 C ATOM 917 C LEU A 60 -2.598 21.785 -28.512 1.00 0.00 C ATOM 918 O LEU A 60 -3.790 22.006 -28.330 1.00 0.00 O ATOM 919 CB LEU A 60 -1.078 22.215 -26.615 1.00 0.00 C ATOM 920 CG LEU A 60 -0.819 21.960 -25.122 1.00 0.00 C ATOM 921 CD1 LEU A 60 -2.044 22.360 -24.284 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.492 20.518 -24.749 1.00 0.00 C ATOM 0 H LEU A 60 0.144 20.624 -28.023 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.446 20.521 -26.762 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.119 22.408 -27.095 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.668 23.127 -26.704 1.00 0.00 H new ATOM 0 HG LEU A 60 0.060 22.568 -24.909 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.841 22.172 -23.230 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.254 23.420 -24.430 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.907 21.773 -24.598 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.327 20.449 -23.674 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.323 19.872 -25.031 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.409 20.201 -25.275 1.00 0.00 H new ATOM 934 N GLN A 61 -1.966 22.129 -29.638 1.00 0.00 N ATOM 935 CA GLN A 61 -2.647 22.846 -30.711 1.00 0.00 C ATOM 936 C GLN A 61 -3.627 21.934 -31.430 1.00 0.00 C ATOM 937 O GLN A 61 -4.724 22.360 -31.789 1.00 0.00 O ATOM 938 CB GLN A 61 -1.623 23.506 -31.657 1.00 0.00 C ATOM 939 CG GLN A 61 -2.243 24.352 -32.784 1.00 0.00 C ATOM 940 CD GLN A 61 -2.824 23.526 -33.931 1.00 0.00 C ATOM 941 OE1 GLN A 61 -2.324 22.450 -34.249 1.00 0.00 O ATOM 942 NE2 GLN A 61 -3.885 24.024 -34.565 1.00 0.00 N ATOM 0 H GLN A 61 -0.985 21.921 -29.827 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.239 23.655 -30.283 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.960 24.140 -31.068 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.006 22.726 -32.103 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.031 24.977 -32.364 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.482 25.023 -33.182 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.277 24.921 -34.277 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.305 23.509 -35.338 1.00 0.00 H new ATOM 951 N GLN A 62 -3.218 20.684 -31.638 1.00 0.00 N ATOM 952 CA GLN A 62 -4.015 19.697 -32.336 1.00 0.00 C ATOM 953 C GLN A 62 -5.293 19.387 -31.556 1.00 0.00 C ATOM 954 O GLN A 62 -6.348 19.220 -32.164 1.00 0.00 O ATOM 955 CB GLN A 62 -3.146 18.481 -32.685 1.00 0.00 C ATOM 956 CG GLN A 62 -3.030 17.451 -31.558 1.00 0.00 C ATOM 957 CD GLN A 62 -1.978 16.377 -31.832 1.00 0.00 C ATOM 958 OE1 GLN A 62 -0.988 16.617 -32.518 1.00 0.00 O ATOM 959 NE2 GLN A 62 -2.178 15.181 -31.278 1.00 0.00 N ATOM 0 H GLN A 62 -2.315 20.332 -31.321 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.366 20.088 -33.291 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.560 17.993 -33.567 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.147 18.826 -32.951 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.783 17.964 -30.629 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.998 16.973 -31.410 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.011 15.013 -30.713 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.498 14.434 -31.419 1.00 0.00 H new ATOM 968 N THR A 63 -5.213 19.333 -30.217 1.00 0.00 N ATOM 969 CA THR A 63 -6.395 19.083 -29.406 1.00 0.00 C ATOM 970 C THR A 63 -7.234 20.343 -29.224 1.00 0.00 C ATOM 971 O THR A 63 -8.456 20.247 -29.142 1.00 0.00 O ATOM 972 CB THR A 63 -6.084 18.406 -28.066 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.304 17.992 -27.484 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.344 19.272 -27.050 1.00 0.00 C ATOM 0 H THR A 63 -4.350 19.458 -29.687 1.00 0.00 H new ATOM 0 HA THR A 63 -6.994 18.366 -29.968 1.00 0.00 H new ATOM 0 HB THR A 63 -5.413 17.579 -28.301 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.125 17.555 -26.625 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.174 18.699 -26.139 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.386 19.584 -27.467 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.943 20.153 -26.818 1.00 0.00 H new ATOM 982 N LEU A 64 -6.583 21.507 -29.121 1.00 0.00 N ATOM 983 CA LEU A 64 -7.280 22.762 -28.867 1.00 0.00 C ATOM 984 C LEU A 64 -6.342 23.958 -29.072 1.00 0.00 C ATOM 985 O LEU A 64 -5.428 24.109 -28.269 1.00 0.00 O ATOM 986 CB LEU A 64 -7.741 22.724 -27.396 1.00 0.00 C ATOM 987 CG LEU A 64 -8.410 24.001 -26.868 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.802 24.199 -27.478 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.521 23.863 -25.345 1.00 0.00 C ATOM 0 H LEU A 64 -5.571 21.601 -29.211 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.120 22.874 -29.553 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.439 21.895 -27.276 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.876 22.505 -26.770 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.813 24.870 -27.144 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.246 25.112 -27.082 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.717 24.277 -28.562 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.435 23.348 -27.225 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.993 24.755 -24.932 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.123 22.988 -25.102 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.525 23.748 -24.917 1.00 0.00 H new ATOM 1001 N PRO A 65 -6.533 24.831 -30.080 1.00 0.00 N ATOM 1002 CA PRO A 65 -5.674 25.998 -30.279 1.00 0.00 C ATOM 1003 C PRO A 65 -5.773 26.903 -29.039 1.00 0.00 C ATOM 1004 O PRO A 65 -6.816 27.524 -28.839 1.00 0.00 O ATOM 1005 CB PRO A 65 -6.187 26.678 -31.553 1.00 0.00 C ATOM 1006 CG PRO A 65 -7.633 26.202 -31.673 1.00 0.00 C ATOM 1007 CD PRO A 65 -7.585 24.794 -31.082 1.00 0.00 C ATOM 0 HA PRO A 65 -4.620 25.748 -30.397 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.130 27.764 -31.476 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.599 26.389 -32.424 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.317 26.847 -31.122 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.970 26.193 -32.710 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.542 24.522 -30.637 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.369 24.052 -31.851 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.739 26.982 -28.177 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.791 27.766 -26.957 1.00 0.00 C ATOM 1017 C PRO A 66 -4.427 29.235 -27.203 1.00 0.00 C ATOM 1018 O PRO A 66 -3.300 29.513 -27.608 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.822 27.080 -25.980 1.00 0.00 C ATOM 1020 CG PRO A 66 -3.084 26.013 -26.794 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.448 26.313 -28.244 1.00 0.00 C ATOM 0 HA PRO A 66 -5.801 27.798 -26.548 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.122 27.800 -25.555 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.362 26.630 -25.147 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.007 26.069 -26.636 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.396 25.009 -26.507 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.698 26.948 -28.716 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.508 25.398 -28.834 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.329 30.199 -26.938 1.00 0.00 N ATOM 1030 CA PRO A 67 -5.001 31.611 -27.081 1.00 0.00 C ATOM 1031 C PRO A 67 -3.952 31.950 -26.015 1.00 0.00 C ATOM 1032 O PRO A 67 -3.063 32.764 -26.240 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.315 32.369 -26.886 1.00 0.00 C ATOM 1034 CG PRO A 67 -7.143 31.433 -26.007 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.687 30.038 -26.436 1.00 0.00 C ATOM 0 HA PRO A 67 -4.580 31.877 -28.050 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.154 33.333 -26.404 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.809 32.567 -27.837 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.955 31.608 -24.948 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.212 31.573 -26.169 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.713 29.343 -25.597 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.343 29.632 -27.206 1.00 0.00 H new ATOM 1043 N VAL A 68 -4.047 31.280 -24.860 1.00 0.00 N ATOM 1044 CA VAL A 68 -3.127 31.391 -23.740 1.00 0.00 C ATOM 1045 C VAL A 68 -1.705 31.126 -24.216 1.00 0.00 C ATOM 1046 O VAL A 68 -0.792 31.869 -23.871 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.522 30.381 -22.653 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -2.399 30.284 -21.621 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.842 30.806 -22.002 1.00 0.00 C ATOM 0 H VAL A 68 -4.803 30.619 -24.681 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.175 32.397 -23.324 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.669 29.396 -23.096 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.676 29.568 -20.848 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.483 29.953 -22.110 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.236 31.262 -21.168 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.116 30.085 -21.232 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.725 31.792 -21.551 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.625 30.844 -22.759 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.524 30.067 -25.009 1.00 0.00 N ATOM 1060 CA PHE A 69 -0.219 29.715 -25.565 1.00 0.00 C ATOM 1061 C PHE A 69 0.430 30.937 -26.243 1.00 0.00 C ATOM 1062 O PHE A 69 1.627 31.180 -26.084 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.312 28.491 -26.494 1.00 0.00 C ATOM 1064 CG PHE A 69 0.527 28.578 -27.752 1.00 0.00 C ATOM 1065 CD1 PHE A 69 1.929 28.510 -27.677 1.00 0.00 C ATOM 1066 CD2 PHE A 69 -0.102 28.740 -28.999 1.00 0.00 C ATOM 1067 CE1 PHE A 69 2.697 28.607 -28.852 1.00 0.00 C ATOM 1068 CE2 PHE A 69 0.666 28.835 -30.172 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.067 28.770 -30.097 1.00 0.00 C ATOM 0 H PHE A 69 -2.275 29.433 -25.282 1.00 0.00 H new ATOM 0 HA PHE A 69 0.438 29.420 -24.747 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.011 27.605 -25.935 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.354 28.348 -26.779 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.415 28.384 -26.721 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.179 28.792 -29.056 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.774 28.556 -28.797 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.180 28.958 -31.129 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.660 28.845 -30.996 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.386 31.703 -26.979 1.00 0.00 N ATOM 1080 CA GLN A 70 0.014 32.915 -27.701 1.00 0.00 C ATOM 1081 C GLN A 70 0.539 34.001 -26.751 1.00 0.00 C ATOM 1082 O GLN A 70 1.266 34.899 -27.168 1.00 0.00 O ATOM 1083 CB GLN A 70 -1.152 33.451 -28.549 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.670 34.344 -29.700 1.00 0.00 C ATOM 1085 CD GLN A 70 -1.847 34.869 -30.515 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -2.000 34.532 -31.686 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -2.688 35.700 -29.899 1.00 0.00 N ATOM 0 H GLN A 70 -1.377 31.487 -27.091 1.00 0.00 H new ATOM 0 HA GLN A 70 0.833 32.642 -28.367 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.719 32.613 -28.955 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.832 34.017 -27.912 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.098 35.181 -29.300 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.001 33.779 -30.347 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.529 35.957 -28.925 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.491 36.078 -30.402 1.00 0.00 H new ATOM 1096 N MET A 71 0.158 33.927 -25.475 1.00 0.00 N ATOM 1097 CA MET A 71 0.563 34.801 -24.391 1.00 0.00 C ATOM 1098 C MET A 71 1.802 34.193 -23.737 1.00 0.00 C ATOM 1099 O MET A 71 2.709 34.909 -23.331 1.00 0.00 O ATOM 1100 CB MET A 71 -0.597 35.066 -23.418 1.00 0.00 C ATOM 1101 CG MET A 71 -1.895 35.447 -24.156 1.00 0.00 C ATOM 1102 SD MET A 71 -2.987 36.608 -23.294 1.00 0.00 S ATOM 1103 CE MET A 71 -3.383 35.636 -21.828 1.00 0.00 C ATOM 0 H MET A 71 -0.486 33.202 -25.158 1.00 0.00 H new ATOM 0 HA MET A 71 0.829 35.790 -24.765 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.772 34.177 -22.812 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.320 35.868 -22.734 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.628 35.878 -25.121 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.455 34.534 -24.359 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.322 35.988 -21.401 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.481 34.586 -22.103 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.586 35.746 -21.092 1.00 0.00 H new ATOM 1113 N LEU A 72 1.853 32.860 -23.642 1.00 0.00 N ATOM 1114 CA LEU A 72 2.971 32.138 -23.070 1.00 0.00 C ATOM 1115 C LEU A 72 4.244 32.511 -23.800 1.00 0.00 C ATOM 1116 O LEU A 72 5.210 32.929 -23.168 1.00 0.00 O ATOM 1117 CB LEU A 72 2.681 30.622 -22.999 1.00 0.00 C ATOM 1118 CG LEU A 72 3.792 29.647 -23.420 1.00 0.00 C ATOM 1119 CD1 LEU A 72 4.938 29.579 -22.403 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.198 28.241 -23.538 1.00 0.00 C ATOM 0 H LEU A 72 1.102 32.252 -23.968 1.00 0.00 H new ATOM 0 HA LEU A 72 3.119 32.433 -22.031 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.402 30.385 -21.972 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.809 30.421 -23.621 1.00 0.00 H new ATOM 0 HG LEU A 72 4.193 30.009 -24.367 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.693 28.875 -22.753 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.386 30.567 -22.293 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.551 29.247 -21.440 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.978 27.540 -23.836 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.787 27.938 -22.575 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.406 28.242 -24.287 1.00 0.00 H new ATOM 1132 N LEU A 73 4.247 32.379 -25.126 1.00 0.00 N ATOM 1133 CA LEU A 73 5.467 32.688 -25.879 1.00 0.00 C ATOM 1134 C LEU A 73 5.765 34.182 -26.005 1.00 0.00 C ATOM 1135 O LEU A 73 6.807 34.554 -26.540 1.00 0.00 O ATOM 1136 CB LEU A 73 5.502 31.950 -27.215 1.00 0.00 C ATOM 1137 CG LEU A 73 4.888 32.724 -28.383 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.863 31.802 -29.589 1.00 0.00 C ATOM 1139 CD2 LEU A 73 3.453 33.127 -28.093 1.00 0.00 C ATOM 0 H LEU A 73 3.452 32.072 -25.686 1.00 0.00 H new ATOM 0 HA LEU A 73 6.294 32.306 -25.281 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.538 31.712 -27.457 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.975 31.002 -27.106 1.00 0.00 H new ATOM 0 HG LEU A 73 5.482 33.622 -28.553 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.429 32.327 -30.440 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.880 31.494 -29.833 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.262 30.922 -29.362 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.050 33.675 -28.945 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.853 32.234 -27.918 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.425 33.762 -27.207 1.00 0.00 H new ATOM 1151 N THR A 74 4.862 35.026 -25.500 1.00 0.00 N ATOM 1152 CA THR A 74 4.997 36.473 -25.481 1.00 0.00 C ATOM 1153 C THR A 74 5.488 36.891 -24.093 1.00 0.00 C ATOM 1154 O THR A 74 6.170 37.903 -23.964 1.00 0.00 O ATOM 1155 CB THR A 74 3.757 37.191 -26.034 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.148 38.220 -26.922 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.894 37.832 -24.956 1.00 0.00 C ATOM 0 H THR A 74 3.990 34.704 -25.081 1.00 0.00 H new ATOM 0 HA THR A 74 5.760 36.809 -26.184 1.00 0.00 H new ATOM 0 HB THR A 74 3.171 36.419 -26.533 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.351 38.671 -27.271 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.037 38.321 -25.419 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.545 37.064 -24.265 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.482 38.571 -24.411 1.00 0.00 H new ATOM 1165 N LYS A 75 5.178 36.093 -23.058 1.00 0.00 N ATOM 1166 CA LYS A 75 5.644 36.338 -21.702 1.00 0.00 C ATOM 1167 C LYS A 75 7.180 36.311 -21.692 1.00 0.00 C ATOM 1168 O LYS A 75 7.810 37.192 -21.114 1.00 0.00 O ATOM 1169 CB LYS A 75 5.091 35.248 -20.769 1.00 0.00 C ATOM 1170 CG LYS A 75 4.934 35.708 -19.318 1.00 0.00 C ATOM 1171 CD LYS A 75 3.465 35.980 -18.960 1.00 0.00 C ATOM 1172 CE LYS A 75 2.817 37.173 -19.675 1.00 0.00 C ATOM 1173 NZ LYS A 75 3.077 38.438 -18.967 1.00 0.00 N ATOM 0 H LYS A 75 4.595 35.261 -23.148 1.00 0.00 H new ATOM 0 HA LYS A 75 5.296 37.311 -21.355 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.122 34.917 -21.144 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.756 34.385 -20.798 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.336 34.946 -18.650 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.520 36.613 -19.158 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.884 35.086 -19.184 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.396 36.143 -17.884 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.201 37.240 -20.693 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.742 37.012 -19.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.653 39.226 -19.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.659 38.396 -18.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.103 38.587 -18.888 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.209 14.250 -25.702 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.030 13.666 -26.311 1.00 0.00 C ATOM 1590 C LEU B 7 -3.249 12.808 -25.336 1.00 0.00 C ATOM 1591 O LEU B 7 -2.688 11.812 -25.761 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.170 14.734 -27.018 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.506 15.901 -26.247 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.434 16.875 -25.540 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.336 15.525 -25.334 1.00 0.00 C ATOM 0 HA LEU B 7 -4.365 12.983 -27.092 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.369 14.202 -27.532 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.798 15.184 -27.787 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.091 16.442 -27.097 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.843 17.642 -25.040 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.094 17.344 -26.270 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.031 16.339 -24.803 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.952 16.421 -24.847 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.678 14.819 -24.577 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.545 15.066 -25.927 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.188 13.170 -24.054 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.376 12.458 -23.079 1.00 0.00 C ATOM 1609 C LEU B 8 -2.758 10.987 -22.899 1.00 0.00 C ATOM 1610 O LEU B 8 -1.951 10.216 -22.386 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.236 13.238 -21.772 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.453 14.577 -21.805 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.061 14.543 -22.465 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.315 15.769 -22.235 1.00 0.00 C ATOM 0 H LEU B 8 -3.700 13.963 -23.668 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.373 12.404 -23.503 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.238 13.446 -21.398 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.753 12.586 -21.044 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.203 14.741 -20.757 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.385 15.537 -22.426 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.577 13.838 -21.932 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.159 14.230 -23.504 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.708 16.675 -22.237 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.707 15.592 -23.237 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.144 15.889 -21.537 1.00 0.00 H new