USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=7 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+ -166:sc= 1.31 (180deg=1.21) USER MOD Set 1.2: A 42 HIS : no HE2:sc= 1.08 K(o=2.4,f=-3.2!) USER MOD Single : A 17 GLN : amide:sc= -0.496 K(o=-0.5,f=-3.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 45 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0924 USER MOD Single : A 52 GLN : amide:sc= -0.0862 X(o=-0.086,f=-0.08) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 55 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.28) USER MOD Single : A 58 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.79) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 62 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.3) 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 180:sc= -0.439 (180deg=-0.439) USER MOD Single : A 74 THR OG1 : rot 46:sc= -1.16! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.821 7.495 -14.745 1.00 0.00 N ATOM 205 CA GLU A 14 5.394 7.359 -14.465 1.00 0.00 C ATOM 206 C GLU A 14 4.913 8.415 -13.468 1.00 0.00 C ATOM 207 O GLU A 14 3.870 9.040 -13.661 1.00 0.00 O ATOM 208 CB GLU A 14 5.109 5.944 -13.948 1.00 0.00 C ATOM 209 CG GLU A 14 5.411 4.885 -15.016 1.00 0.00 C ATOM 210 CD GLU A 14 5.179 3.484 -14.463 1.00 0.00 C ATOM 211 OE1 GLU A 14 4.016 3.034 -14.529 1.00 0.00 O ATOM 212 OE2 GLU A 14 6.170 2.903 -13.971 1.00 0.00 O ATOM 0 HA GLU A 14 4.841 7.521 -15.390 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.713 5.751 -13.061 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.065 5.869 -13.645 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.776 5.048 -15.887 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.443 4.983 -15.351 1.00 0.00 H new ATOM 219 N ALA A 15 5.693 8.622 -12.406 1.00 0.00 N ATOM 220 CA ALA A 15 5.408 9.599 -11.364 1.00 0.00 C ATOM 221 C ALA A 15 5.457 11.018 -11.929 1.00 0.00 C ATOM 222 O ALA A 15 4.765 11.913 -11.441 1.00 0.00 O ATOM 223 CB ALA A 15 6.434 9.461 -10.239 1.00 0.00 C ATOM 0 H ALA A 15 6.557 8.103 -12.247 1.00 0.00 H new ATOM 0 HA ALA A 15 4.407 9.412 -10.975 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.220 10.192 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.380 8.457 -9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.434 9.635 -10.635 1.00 0.00 H new ATOM 229 N VAL A 16 6.277 11.210 -12.966 1.00 0.00 N ATOM 230 CA VAL A 16 6.428 12.487 -13.641 1.00 0.00 C ATOM 231 C VAL A 16 5.281 12.622 -14.625 1.00 0.00 C ATOM 232 O VAL A 16 4.817 13.733 -14.832 1.00 0.00 O ATOM 233 CB VAL A 16 7.816 12.639 -14.292 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.835 13.132 -15.743 1.00 0.00 C ATOM 235 CG2 VAL A 16 8.705 13.522 -13.447 1.00 0.00 C ATOM 0 H VAL A 16 6.858 10.470 -13.359 1.00 0.00 H new ATOM 0 HA VAL A 16 6.379 13.306 -12.923 1.00 0.00 H new ATOM 0 HB VAL A 16 8.196 11.618 -14.336 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.866 13.199 -16.091 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.284 12.433 -16.372 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.369 14.116 -15.799 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.681 13.618 -13.923 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.251 14.508 -13.349 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.825 13.078 -12.459 1.00 0.00 H new ATOM 245 N GLN A 17 4.805 11.517 -15.214 1.00 0.00 N ATOM 246 CA GLN A 17 3.685 11.573 -16.142 1.00 0.00 C ATOM 247 C GLN A 17 2.461 12.029 -15.367 1.00 0.00 C ATOM 248 O GLN A 17 1.738 12.903 -15.837 1.00 0.00 O ATOM 249 CB GLN A 17 3.434 10.228 -16.852 1.00 0.00 C ATOM 250 CG GLN A 17 2.376 10.283 -17.970 1.00 0.00 C ATOM 251 CD GLN A 17 2.836 10.994 -19.246 1.00 0.00 C ATOM 252 OE1 GLN A 17 3.736 11.829 -19.223 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.222 10.668 -20.383 1.00 0.00 N ATOM 0 H GLN A 17 5.181 10.581 -15.061 1.00 0.00 H new ATOM 0 HA GLN A 17 3.916 12.281 -16.938 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.374 9.875 -17.276 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.122 9.493 -16.110 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.080 9.265 -18.223 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.488 10.787 -17.588 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.477 9.972 -20.379 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.497 11.115 -21.258 1.00 0.00 H new ATOM 262 N LYS A 18 2.247 11.445 -14.181 1.00 0.00 N ATOM 263 CA LYS A 18 1.110 11.791 -13.340 1.00 0.00 C ATOM 264 C LYS A 18 1.102 13.290 -13.037 1.00 0.00 C ATOM 265 O LYS A 18 0.122 13.978 -13.314 1.00 0.00 O ATOM 266 CB LYS A 18 1.125 10.966 -12.042 1.00 0.00 C ATOM 267 CG LYS A 18 1.007 9.448 -12.272 1.00 0.00 C ATOM 268 CD LYS A 18 -0.126 8.811 -11.455 1.00 0.00 C ATOM 269 CE LYS A 18 -1.515 9.181 -11.999 1.00 0.00 C ATOM 270 NZ LYS A 18 -2.592 8.538 -11.224 1.00 0.00 N ATOM 0 H LYS A 18 2.855 10.727 -13.786 1.00 0.00 H new ATOM 0 HA LYS A 18 0.195 11.551 -13.881 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.049 11.172 -11.502 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.303 11.293 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.837 9.257 -13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.951 8.971 -12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.012 7.727 -11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.047 9.132 -10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.641 10.263 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.589 8.880 -13.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.514 8.810 -11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.486 7.505 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.537 8.845 -10.232 1.00 0.00 H new ATOM 284 N PHE A 19 2.203 13.787 -12.471 1.00 0.00 N ATOM 285 CA PHE A 19 2.361 15.190 -12.113 1.00 0.00 C ATOM 286 C PHE A 19 2.312 16.120 -13.336 1.00 0.00 C ATOM 287 O PHE A 19 1.677 17.172 -13.287 1.00 0.00 O ATOM 288 CB PHE A 19 3.665 15.351 -11.310 1.00 0.00 C ATOM 289 CG PHE A 19 4.315 16.707 -11.471 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.157 16.924 -12.575 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.079 17.750 -10.555 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.749 18.176 -12.761 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.689 19.006 -10.746 1.00 0.00 C ATOM 294 CZ PHE A 19 5.528 19.215 -11.858 1.00 0.00 C ATOM 0 H PHE A 19 3.018 13.216 -12.247 1.00 0.00 H new ATOM 0 HA PHE A 19 1.518 15.493 -11.492 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.454 15.182 -10.254 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.370 14.581 -11.621 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.346 16.126 -13.277 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.431 17.588 -9.707 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.387 18.341 -13.617 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.514 19.806 -10.042 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.998 20.175 -12.010 1.00 0.00 H new ATOM 304 N PHE A 20 2.992 15.741 -14.423 1.00 0.00 N ATOM 305 CA PHE A 20 3.069 16.521 -15.660 1.00 0.00 C ATOM 306 C PHE A 20 1.634 16.769 -16.123 1.00 0.00 C ATOM 307 O PHE A 20 1.242 17.905 -16.382 1.00 0.00 O ATOM 308 CB PHE A 20 3.898 15.750 -16.694 1.00 0.00 C ATOM 309 CG PHE A 20 3.918 16.230 -18.126 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.416 17.506 -18.436 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.464 15.383 -19.156 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.465 17.932 -19.771 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.516 15.810 -20.491 1.00 0.00 C ATOM 314 CZ PHE A 20 4.022 17.081 -20.797 1.00 0.00 C ATOM 0 H PHE A 20 3.514 14.866 -14.467 1.00 0.00 H new ATOM 0 HA PHE A 20 3.565 17.481 -15.514 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.929 15.730 -16.340 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.542 14.720 -16.698 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.761 18.158 -17.647 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.076 14.404 -18.917 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.843 18.915 -20.010 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.167 15.161 -21.281 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.071 17.407 -21.825 1.00 0.00 H new ATOM 324 N LEU A 21 0.842 15.691 -16.178 1.00 0.00 N ATOM 325 CA LEU A 21 -0.564 15.749 -16.531 1.00 0.00 C ATOM 326 C LEU A 21 -1.331 16.588 -15.522 1.00 0.00 C ATOM 327 O LEU A 21 -2.136 17.422 -15.925 1.00 0.00 O ATOM 328 CB LEU A 21 -1.162 14.332 -16.597 1.00 0.00 C ATOM 329 CG LEU A 21 -1.496 13.817 -18.007 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.746 12.307 -17.896 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.725 14.583 -18.509 1.00 0.00 C ATOM 0 H LEU A 21 1.172 14.748 -15.975 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.650 16.213 -17.513 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.460 13.639 -16.133 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.072 14.313 -15.998 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.689 13.978 -18.721 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.987 11.905 -18.880 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.851 11.817 -17.513 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.578 12.125 -17.216 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.985 14.238 -19.510 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.563 14.408 -17.835 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.501 15.649 -18.540 1.00 0.00 H new ATOM 343 N GLU A 22 -1.088 16.388 -14.224 1.00 0.00 N ATOM 344 CA GLU A 22 -1.770 17.167 -13.202 1.00 0.00 C ATOM 345 C GLU A 22 -1.541 18.664 -13.431 1.00 0.00 C ATOM 346 O GLU A 22 -2.423 19.455 -13.122 1.00 0.00 O ATOM 347 CB GLU A 22 -1.351 16.722 -11.789 1.00 0.00 C ATOM 348 CG GLU A 22 -2.201 17.386 -10.698 1.00 0.00 C ATOM 349 CD GLU A 22 -1.964 16.734 -9.342 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.905 17.011 -8.733 1.00 0.00 O ATOM 351 OE2 GLU A 22 -2.838 15.954 -8.903 1.00 0.00 O ATOM 0 H GLU A 22 -0.429 15.698 -13.864 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.841 16.983 -13.281 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.441 15.639 -11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.301 16.967 -11.629 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.960 18.447 -10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.256 17.312 -10.960 1.00 0.00 H new ATOM 358 N GLU A 23 -0.383 19.060 -13.981 1.00 0.00 N ATOM 359 CA GLU A 23 -0.052 20.451 -14.239 1.00 0.00 C ATOM 360 C GLU A 23 -0.716 20.909 -15.538 1.00 0.00 C ATOM 361 O GLU A 23 -1.300 21.988 -15.582 1.00 0.00 O ATOM 362 CB GLU A 23 1.465 20.647 -14.208 1.00 0.00 C ATOM 363 CG GLU A 23 1.787 22.136 -14.077 1.00 0.00 C ATOM 364 CD GLU A 23 3.212 22.340 -13.591 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.102 21.638 -14.119 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.374 23.184 -12.682 1.00 0.00 O ATOM 0 H GLU A 23 0.351 18.409 -14.259 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.450 21.091 -13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.896 20.096 -13.372 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.912 20.246 -15.118 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.653 22.628 -15.041 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.090 22.603 -13.381 1.00 0.00 H new ATOM 373 N ILE A 24 -0.661 20.067 -16.579 1.00 0.00 N ATOM 374 CA ILE A 24 -1.318 20.306 -17.873 1.00 0.00 C ATOM 375 C ILE A 24 -2.798 20.637 -17.588 1.00 0.00 C ATOM 376 O ILE A 24 -3.329 21.651 -18.055 1.00 0.00 O ATOM 377 CB ILE A 24 -1.136 19.070 -18.835 1.00 0.00 C ATOM 378 CG1 ILE A 24 0.038 19.176 -19.852 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.419 18.572 -19.526 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.234 18.515 -21.211 1.00 0.00 C ATOM 0 H ILE A 24 -0.150 19.185 -16.546 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.862 21.147 -18.395 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.853 18.299 -18.118 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.267 20.229 -20.014 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.925 18.721 -19.412 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.182 17.720 -20.164 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.145 18.269 -18.771 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.840 19.374 -20.133 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.636 18.637 -21.856 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.432 17.453 -21.066 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.100 18.985 -21.677 1.00 0.00 H new ATOM 392 N GLN A 25 -3.451 19.772 -16.804 1.00 0.00 N ATOM 393 CA GLN A 25 -4.860 19.903 -16.458 1.00 0.00 C ATOM 394 C GLN A 25 -5.116 21.037 -15.470 1.00 0.00 C ATOM 395 O GLN A 25 -6.049 21.808 -15.670 1.00 0.00 O ATOM 396 CB GLN A 25 -5.432 18.559 -15.964 1.00 0.00 C ATOM 397 CG GLN A 25 -5.287 17.382 -16.951 1.00 0.00 C ATOM 398 CD GLN A 25 -6.074 16.165 -16.481 1.00 0.00 C ATOM 399 OE1 GLN A 25 -5.580 15.368 -15.689 1.00 0.00 O ATOM 400 NE2 GLN A 25 -7.295 15.999 -16.988 1.00 0.00 N ATOM 0 H GLN A 25 -3.005 18.953 -16.390 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.394 20.175 -17.368 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.937 18.293 -15.030 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.489 18.694 -15.737 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.638 17.686 -17.937 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.234 17.119 -17.055 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.672 16.683 -17.644 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.853 15.188 -16.720 1.00 0.00 H new ATOM 409 N LEU A 26 -4.300 21.149 -14.420 1.00 0.00 N ATOM 410 CA LEU A 26 -4.434 22.203 -13.409 1.00 0.00 C ATOM 411 C LEU A 26 -4.379 23.566 -14.095 1.00 0.00 C ATOM 412 O LEU A 26 -5.262 24.389 -13.876 1.00 0.00 O ATOM 413 CB LEU A 26 -3.380 22.034 -12.300 1.00 0.00 C ATOM 414 CG LEU A 26 -3.217 23.094 -11.204 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.812 24.493 -11.678 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.474 23.157 -10.354 1.00 0.00 C ATOM 0 H LEU A 26 -3.525 20.510 -14.245 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.401 22.127 -12.911 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.589 21.087 -11.802 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.412 21.929 -12.791 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.365 22.759 -10.613 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.727 25.158 -10.818 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.852 24.439 -12.192 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.568 24.879 -12.361 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.351 23.912 -9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.325 23.418 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.649 22.186 -9.891 1.00 0.00 H new ATOM 428 N GLY A 27 -3.362 23.804 -14.933 1.00 0.00 N ATOM 429 CA GLY A 27 -3.224 25.052 -15.672 1.00 0.00 C ATOM 430 C GLY A 27 -4.473 25.255 -16.508 1.00 0.00 C ATOM 431 O GLY A 27 -5.197 26.214 -16.268 1.00 0.00 O ATOM 0 H GLY A 27 -2.615 23.133 -15.113 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.088 25.887 -14.984 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.341 25.019 -16.311 1.00 0.00 H new ATOM 435 N GLU A 28 -4.748 24.355 -17.461 1.00 0.00 N ATOM 436 CA GLU A 28 -5.957 24.474 -18.273 1.00 0.00 C ATOM 437 C GLU A 28 -7.232 24.774 -17.459 1.00 0.00 C ATOM 438 O GLU A 28 -8.086 25.539 -17.901 1.00 0.00 O ATOM 439 CB GLU A 28 -6.101 23.224 -19.139 1.00 0.00 C ATOM 440 CG GLU A 28 -5.247 23.356 -20.408 1.00 0.00 C ATOM 441 CD GLU A 28 -5.964 24.143 -21.503 1.00 0.00 C ATOM 442 OE1 GLU A 28 -6.755 25.053 -21.163 1.00 0.00 O ATOM 443 OE2 GLU A 28 -5.790 23.787 -22.688 1.00 0.00 O ATOM 0 H GLU A 28 -4.160 23.552 -17.683 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.841 25.348 -18.913 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.793 22.344 -18.574 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.147 23.079 -19.409 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.307 23.851 -20.162 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.996 22.363 -20.781 1.00 0.00 H new ATOM 450 N GLU A 29 -7.349 24.195 -16.262 1.00 0.00 N ATOM 451 CA GLU A 29 -8.476 24.405 -15.355 1.00 0.00 C ATOM 452 C GLU A 29 -8.430 25.812 -14.745 1.00 0.00 C ATOM 453 O GLU A 29 -9.457 26.481 -14.659 1.00 0.00 O ATOM 454 CB GLU A 29 -8.522 23.297 -14.298 1.00 0.00 C ATOM 455 CG GLU A 29 -9.607 23.525 -13.242 1.00 0.00 C ATOM 456 CD GLU A 29 -9.764 22.300 -12.348 1.00 0.00 C ATOM 457 OE1 GLU A 29 -10.321 21.300 -12.851 1.00 0.00 O ATOM 458 OE2 GLU A 29 -9.311 22.385 -11.187 1.00 0.00 O ATOM 0 H GLU A 29 -6.648 23.554 -15.890 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.407 24.344 -15.919 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.696 22.340 -14.790 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.552 23.231 -13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.352 24.393 -12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.555 23.747 -13.732 1.00 0.00 H new ATOM 465 N LEU A 30 -7.256 26.300 -14.336 1.00 0.00 N ATOM 466 CA LEU A 30 -7.124 27.649 -13.800 1.00 0.00 C ATOM 467 C LEU A 30 -7.489 28.645 -14.901 1.00 0.00 C ATOM 468 O LEU A 30 -8.155 29.647 -14.646 1.00 0.00 O ATOM 469 CB LEU A 30 -5.693 27.907 -13.293 1.00 0.00 C ATOM 470 CG LEU A 30 -5.432 27.660 -11.796 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.958 27.979 -11.524 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.280 28.574 -10.894 1.00 0.00 C ATOM 0 H LEU A 30 -6.382 25.775 -14.368 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.796 27.768 -12.950 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.011 27.278 -13.865 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.435 28.942 -13.517 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.691 26.625 -11.572 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.739 27.814 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.327 27.330 -12.132 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.758 29.020 -11.778 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.059 28.360 -9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.045 29.616 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.338 28.394 -11.085 1.00 0.00 H new ATOM 484 N LEU A 31 -7.084 28.359 -16.137 1.00 0.00 N ATOM 485 CA LEU A 31 -7.418 29.198 -17.285 1.00 0.00 C ATOM 486 C LEU A 31 -8.915 29.132 -17.531 1.00 0.00 C ATOM 487 O LEU A 31 -9.510 30.124 -17.940 1.00 0.00 O ATOM 488 CB LEU A 31 -6.618 28.737 -18.483 1.00 0.00 C ATOM 489 CG LEU A 31 -5.146 29.149 -18.362 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.550 29.333 -16.958 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.367 28.076 -19.098 1.00 0.00 C ATOM 0 H LEU A 31 -6.518 27.543 -16.370 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.160 30.240 -17.095 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.688 27.653 -18.575 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.043 29.162 -19.392 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.077 30.156 -18.773 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.503 29.624 -17.042 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.101 30.110 -16.428 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.623 28.396 -16.406 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.302 28.304 -19.054 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.550 27.108 -18.631 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.688 28.043 -20.139 1.00 0.00 H new ATOM 503 N ALA A 32 -9.524 27.984 -17.222 1.00 0.00 N ATOM 504 CA ALA A 32 -10.968 27.842 -17.294 1.00 0.00 C ATOM 505 C ALA A 32 -11.646 28.844 -16.345 1.00 0.00 C ATOM 506 O ALA A 32 -12.811 29.179 -16.540 1.00 0.00 O ATOM 507 CB ALA A 32 -11.405 26.402 -17.013 1.00 0.00 C ATOM 0 H ALA A 32 -9.033 27.143 -16.920 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.288 28.071 -18.311 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.491 26.333 -17.075 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.956 25.735 -17.749 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.080 26.111 -16.014 1.00 0.00 H new ATOM 513 N GLN A 33 -10.904 29.344 -15.343 1.00 0.00 N ATOM 514 CA GLN A 33 -11.344 30.356 -14.395 1.00 0.00 C ATOM 515 C GLN A 33 -10.959 31.719 -14.979 1.00 0.00 C ATOM 516 O GLN A 33 -11.719 32.680 -14.881 1.00 0.00 O ATOM 517 CB GLN A 33 -10.701 30.099 -13.022 1.00 0.00 C ATOM 518 CG GLN A 33 -11.763 29.979 -11.925 1.00 0.00 C ATOM 519 CD GLN A 33 -11.126 29.740 -10.559 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.212 30.583 -9.671 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.480 28.588 -10.382 1.00 0.00 N ATOM 0 H GLN A 33 -9.946 29.036 -15.173 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.422 30.326 -14.240 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.109 29.184 -13.060 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.016 30.912 -12.781 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.362 30.889 -11.895 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.441 29.159 -12.161 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.428 27.910 -11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.037 28.384 -9.486 1.00 0.00 H new ATOM 530 N GLY A 34 -9.779 31.769 -15.608 1.00 0.00 N ATOM 531 CA GLY A 34 -9.207 32.919 -16.291 1.00 0.00 C ATOM 532 C GLY A 34 -7.787 33.262 -15.841 1.00 0.00 C ATOM 533 O GLY A 34 -7.314 34.346 -16.177 1.00 0.00 O ATOM 0 H GLY A 34 -9.166 30.955 -15.652 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.201 32.727 -17.364 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.849 33.784 -16.126 1.00 0.00 H new ATOM 537 N ASP A 35 -7.098 32.387 -15.091 1.00 0.00 N ATOM 538 CA ASP A 35 -5.753 32.712 -14.592 1.00 0.00 C ATOM 539 C ASP A 35 -4.614 32.370 -15.570 1.00 0.00 C ATOM 540 O ASP A 35 -3.682 31.639 -15.237 1.00 0.00 O ATOM 541 CB ASP A 35 -5.557 32.131 -13.183 1.00 0.00 C ATOM 542 CG ASP A 35 -4.407 32.777 -12.409 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.589 33.487 -13.035 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.348 32.516 -11.188 1.00 0.00 O ATOM 0 H ASP A 35 -7.442 31.466 -14.821 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.691 33.798 -14.516 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.480 32.255 -12.616 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.373 31.060 -13.263 1.00 0.00 H new ATOM 549 N TYR A 36 -4.690 32.921 -16.786 1.00 0.00 N ATOM 550 CA TYR A 36 -3.739 32.800 -17.889 1.00 0.00 C ATOM 551 C TYR A 36 -2.295 32.950 -17.434 1.00 0.00 C ATOM 552 O TYR A 36 -1.420 32.187 -17.842 1.00 0.00 O ATOM 553 CB TYR A 36 -4.069 33.835 -18.971 1.00 0.00 C ATOM 554 CG TYR A 36 -5.549 34.024 -19.254 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.337 32.939 -19.676 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.142 35.291 -19.086 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.708 33.115 -19.927 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.512 35.467 -19.340 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.295 34.380 -19.761 1.00 0.00 C ATOM 560 OH TYR A 36 -9.625 34.557 -20.003 1.00 0.00 O ATOM 0 H TYR A 36 -5.483 33.510 -17.042 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.837 31.794 -18.298 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.647 34.795 -18.674 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.573 33.541 -19.896 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.887 31.966 -19.808 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.542 36.128 -18.761 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.310 32.278 -20.247 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.964 36.439 -19.211 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.866 35.492 -19.838 1.00 0.00 H new ATOM 570 N GLU A 37 -2.074 33.941 -16.578 1.00 0.00 N ATOM 571 CA GLU A 37 -0.792 34.285 -15.992 1.00 0.00 C ATOM 572 C GLU A 37 -0.185 33.052 -15.334 1.00 0.00 C ATOM 573 O GLU A 37 0.988 32.739 -15.543 1.00 0.00 O ATOM 574 CB GLU A 37 -0.962 35.456 -15.010 1.00 0.00 C ATOM 575 CG GLU A 37 -1.205 36.803 -15.719 1.00 0.00 C ATOM 576 CD GLU A 37 -2.469 36.846 -16.578 1.00 0.00 C ATOM 577 OE1 GLU A 37 -3.483 36.252 -16.148 1.00 0.00 O ATOM 578 OE2 GLU A 37 -2.394 37.459 -17.665 1.00 0.00 O ATOM 0 H GLU A 37 -2.824 34.555 -16.261 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.100 34.616 -16.766 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.798 35.246 -14.343 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.070 35.534 -14.388 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.265 37.590 -14.967 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.345 37.029 -16.349 1.00 0.00 H new ATOM 585 N LYS A 38 -1.009 32.342 -14.567 1.00 0.00 N ATOM 586 CA LYS A 38 -0.598 31.109 -13.913 1.00 0.00 C ATOM 587 C LYS A 38 -0.439 29.999 -14.941 1.00 0.00 C ATOM 588 O LYS A 38 0.437 29.154 -14.783 1.00 0.00 O ATOM 589 CB LYS A 38 -1.568 30.697 -12.793 1.00 0.00 C ATOM 590 CG LYS A 38 -1.025 31.060 -11.405 1.00 0.00 C ATOM 591 CD LYS A 38 0.016 29.999 -11.016 1.00 0.00 C ATOM 592 CE LYS A 38 1.067 30.494 -10.021 1.00 0.00 C ATOM 593 NZ LYS A 38 2.078 29.447 -9.780 1.00 0.00 N ATOM 0 H LYS A 38 -1.977 32.607 -14.384 1.00 0.00 H new ATOM 0 HA LYS A 38 0.367 31.288 -13.439 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.529 31.187 -12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.746 29.623 -12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.573 32.052 -11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.833 31.088 -10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.499 29.140 -10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.520 29.651 -11.918 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.549 31.392 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.587 30.769 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.641 29.695 -8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.603 28.536 -9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.704 29.372 -10.607 1.00 0.00 H new ATOM 607 N GLY A 39 -1.253 29.998 -16.000 1.00 0.00 N ATOM 608 CA GLY A 39 -1.134 29.002 -17.050 1.00 0.00 C ATOM 609 C GLY A 39 0.237 29.063 -17.697 1.00 0.00 C ATOM 610 O GLY A 39 0.801 28.023 -18.008 1.00 0.00 O ATOM 0 H GLY A 39 -1.999 30.678 -16.146 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.302 28.008 -16.635 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.904 29.167 -17.803 1.00 0.00 H new ATOM 614 N VAL A 40 0.778 30.269 -17.901 1.00 0.00 N ATOM 615 CA VAL A 40 2.089 30.415 -18.515 1.00 0.00 C ATOM 616 C VAL A 40 3.140 29.746 -17.624 1.00 0.00 C ATOM 617 O VAL A 40 3.984 29.003 -18.115 1.00 0.00 O ATOM 618 CB VAL A 40 2.412 31.901 -18.814 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.853 32.043 -19.317 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.488 32.532 -19.875 1.00 0.00 C ATOM 0 H VAL A 40 0.327 31.149 -17.650 1.00 0.00 H new ATOM 0 HA VAL A 40 2.097 29.912 -19.482 1.00 0.00 H new ATOM 0 HB VAL A 40 2.260 32.425 -17.870 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.065 33.092 -19.523 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.542 31.676 -18.556 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.978 31.462 -20.230 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.773 33.572 -20.033 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.583 31.984 -20.812 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.455 32.487 -19.531 1.00 0.00 H new ATOM 630 N ASP A 41 3.080 30.003 -16.315 1.00 0.00 N ATOM 631 CA ASP A 41 4.004 29.458 -15.325 1.00 0.00 C ATOM 632 C ASP A 41 3.905 27.936 -15.254 1.00 0.00 C ATOM 633 O ASP A 41 4.899 27.223 -15.371 1.00 0.00 O ATOM 634 CB ASP A 41 3.735 30.091 -13.948 1.00 0.00 C ATOM 635 CG ASP A 41 4.422 29.338 -12.813 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.661 29.210 -12.873 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.685 28.914 -11.895 1.00 0.00 O ATOM 0 H ASP A 41 2.369 30.611 -15.907 1.00 0.00 H new ATOM 0 HA ASP A 41 5.020 29.705 -15.631 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.079 31.125 -13.954 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.661 30.114 -13.766 1.00 0.00 H new ATOM 642 N HIS A 42 2.690 27.441 -15.052 1.00 0.00 N ATOM 643 CA HIS A 42 2.419 26.020 -14.923 1.00 0.00 C ATOM 644 C HIS A 42 2.758 25.291 -16.207 1.00 0.00 C ATOM 645 O HIS A 42 3.281 24.180 -16.158 1.00 0.00 O ATOM 646 CB HIS A 42 0.978 25.773 -14.464 1.00 0.00 C ATOM 647 CG HIS A 42 0.830 25.973 -12.978 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.563 25.237 -12.059 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.049 26.815 -12.228 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.204 25.658 -10.835 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.282 26.623 -10.868 1.00 0.00 N ATOM 0 H HIS A 42 1.857 28.025 -14.973 1.00 0.00 H new ATOM 0 HA HIS A 42 3.065 25.610 -14.147 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.306 26.449 -14.992 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.680 24.758 -14.727 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.247 24.511 -12.273 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.651 27.529 -12.636 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.617 25.258 -9.921 1.00 0.00 H new ATOM 659 N LEU A 43 2.499 25.910 -17.363 1.00 0.00 N ATOM 660 CA LEU A 43 2.861 25.237 -18.592 1.00 0.00 C ATOM 661 C LEU A 43 4.385 25.217 -18.626 1.00 0.00 C ATOM 662 O LEU A 43 4.958 24.169 -18.895 1.00 0.00 O ATOM 663 CB LEU A 43 2.231 25.869 -19.842 1.00 0.00 C ATOM 664 CG LEU A 43 1.983 24.782 -20.902 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.622 24.102 -20.679 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.966 25.383 -22.309 1.00 0.00 C ATOM 0 H LEU A 43 2.063 26.827 -17.464 1.00 0.00 H new ATOM 0 HA LEU A 43 2.462 24.223 -18.607 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.292 26.357 -19.581 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.890 26.639 -20.244 1.00 0.00 H new ATOM 0 HG LEU A 43 2.793 24.058 -20.808 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.468 23.337 -21.440 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.603 23.640 -19.692 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.172 24.846 -20.747 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.789 24.594 -23.040 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.171 26.126 -22.378 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.926 25.858 -22.513 1.00 0.00 H new ATOM 678 N THR A 44 5.042 26.348 -18.312 1.00 0.00 N ATOM 679 CA THR A 44 6.505 26.414 -18.291 1.00 0.00 C ATOM 680 C THR A 44 7.090 25.270 -17.444 1.00 0.00 C ATOM 681 O THR A 44 8.111 24.672 -17.787 1.00 0.00 O ATOM 682 CB THR A 44 7.024 27.792 -17.846 1.00 0.00 C ATOM 683 OG1 THR A 44 6.639 28.764 -18.794 1.00 0.00 O ATOM 684 CG2 THR A 44 8.555 27.813 -17.779 1.00 0.00 C ATOM 0 H THR A 44 4.579 27.224 -18.071 1.00 0.00 H new ATOM 0 HA THR A 44 6.854 26.281 -19.315 1.00 0.00 H new ATOM 0 HB THR A 44 6.606 28.000 -16.861 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.687 28.968 -18.685 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.892 28.800 -17.462 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.898 27.065 -17.064 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.965 27.589 -18.764 1.00 0.00 H new ATOM 692 N ASN A 45 6.416 24.955 -16.336 1.00 0.00 N ATOM 693 CA ASN A 45 6.830 23.887 -15.431 1.00 0.00 C ATOM 694 C ASN A 45 6.639 22.528 -16.114 1.00 0.00 C ATOM 695 O ASN A 45 7.518 21.662 -16.051 1.00 0.00 O ATOM 696 CB ASN A 45 6.118 23.984 -14.078 1.00 0.00 C ATOM 697 CG ASN A 45 6.794 24.964 -13.119 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.551 24.556 -12.243 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.531 26.259 -13.273 1.00 0.00 N ATOM 0 H ASN A 45 5.566 25.436 -16.043 1.00 0.00 H new ATOM 0 HA ASN A 45 7.891 23.998 -15.209 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.085 24.294 -14.238 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.087 22.996 -13.618 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.963 26.944 -12.653 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.897 26.566 -14.011 1.00 0.00 H new ATOM 706 N ALA A 46 5.507 22.348 -16.809 1.00 0.00 N ATOM 707 CA ALA A 46 5.246 21.121 -17.542 1.00 0.00 C ATOM 708 C ALA A 46 6.411 20.898 -18.530 1.00 0.00 C ATOM 709 O ALA A 46 6.945 19.793 -18.627 1.00 0.00 O ATOM 710 CB ALA A 46 3.832 21.149 -18.150 1.00 0.00 C ATOM 0 H ALA A 46 4.763 23.043 -16.873 1.00 0.00 H new ATOM 0 HA ALA A 46 5.227 20.244 -16.895 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.652 20.223 -18.696 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.095 21.249 -17.353 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.746 21.995 -18.832 1.00 0.00 H new ATOM 716 N ILE A 47 6.857 21.959 -19.224 1.00 0.00 N ATOM 717 CA ILE A 47 8.010 21.886 -20.128 1.00 0.00 C ATOM 718 C ILE A 47 9.277 21.504 -19.363 1.00 0.00 C ATOM 719 O ILE A 47 10.118 20.777 -19.886 1.00 0.00 O ATOM 720 CB ILE A 47 8.259 23.197 -20.918 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.223 23.455 -22.040 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.692 23.263 -21.489 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.882 23.956 -21.525 1.00 0.00 C ATOM 0 H ILE A 47 6.430 22.884 -19.173 1.00 0.00 H new ATOM 0 HA ILE A 47 7.766 21.112 -20.856 1.00 0.00 H new ATOM 0 HB ILE A 47 8.135 23.994 -20.185 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.631 24.185 -22.739 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.067 22.532 -22.599 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.823 24.197 -22.035 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.412 23.216 -20.672 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.854 22.423 -22.164 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.206 24.115 -22.365 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.453 23.217 -20.849 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.025 24.896 -20.991 1.00 0.00 H new ATOM 735 N ALA A 48 9.421 22.014 -18.139 1.00 0.00 N ATOM 736 CA ALA A 48 10.592 21.788 -17.303 1.00 0.00 C ATOM 737 C ALA A 48 10.760 20.319 -16.980 1.00 0.00 C ATOM 738 O ALA A 48 11.888 19.853 -16.833 1.00 0.00 O ATOM 739 CB ALA A 48 10.571 22.624 -16.022 1.00 0.00 C ATOM 0 H ALA A 48 8.715 22.604 -17.698 1.00 0.00 H new ATOM 0 HA ALA A 48 11.454 22.116 -17.884 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.467 22.416 -15.437 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.543 23.683 -16.279 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.688 22.370 -15.436 1.00 0.00 H new ATOM 745 N VAL A 49 9.642 19.594 -16.893 1.00 0.00 N ATOM 746 CA VAL A 49 9.693 18.177 -16.595 1.00 0.00 C ATOM 747 C VAL A 49 9.559 17.333 -17.861 1.00 0.00 C ATOM 748 O VAL A 49 9.880 16.146 -17.821 1.00 0.00 O ATOM 749 CB VAL A 49 8.647 17.825 -15.533 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.789 18.782 -14.343 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.196 17.812 -16.028 1.00 0.00 C ATOM 0 H VAL A 49 8.702 19.969 -17.025 1.00 0.00 H new ATOM 0 HA VAL A 49 10.673 17.939 -16.180 1.00 0.00 H new ATOM 0 HB VAL A 49 8.855 16.796 -15.240 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.046 18.534 -13.586 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.788 18.686 -13.916 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.635 19.807 -14.680 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.532 17.552 -15.203 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.933 18.799 -16.409 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.090 17.076 -16.825 1.00 0.00 H new ATOM 761 N CYS A 50 9.112 17.922 -18.979 1.00 0.00 N ATOM 762 CA CYS A 50 8.975 17.177 -20.227 1.00 0.00 C ATOM 763 C CYS A 50 10.285 17.195 -21.017 1.00 0.00 C ATOM 764 O CYS A 50 10.767 16.144 -21.434 1.00 0.00 O ATOM 765 CB CYS A 50 7.795 17.721 -21.027 1.00 0.00 C ATOM 766 SG CYS A 50 7.710 16.940 -22.655 1.00 0.00 S ATOM 0 H CYS A 50 8.843 18.904 -19.040 1.00 0.00 H new ATOM 0 HA CYS A 50 8.764 16.131 -20.006 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.867 17.541 -20.483 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.894 18.801 -21.141 1.00 0.00 H new ATOM 0 HG CYS A 50 6.697 17.419 -23.314 1.00 0.00 H new ATOM 772 N GLY A 51 10.866 18.381 -21.228 1.00 0.00 N ATOM 773 CA GLY A 51 12.118 18.532 -21.963 1.00 0.00 C ATOM 774 C GLY A 51 11.930 18.485 -23.482 1.00 0.00 C ATOM 775 O GLY A 51 12.906 18.570 -24.224 1.00 0.00 O ATOM 0 H GLY A 51 10.478 19.262 -20.892 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.582 19.480 -21.689 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.806 17.742 -21.663 1.00 0.00 H new ATOM 779 N GLN A 52 10.682 18.367 -23.946 1.00 0.00 N ATOM 780 CA GLN A 52 10.300 18.331 -25.354 1.00 0.00 C ATOM 781 C GLN A 52 9.159 19.339 -25.502 1.00 0.00 C ATOM 782 O GLN A 52 8.035 18.951 -25.829 1.00 0.00 O ATOM 783 CB GLN A 52 9.918 16.890 -25.730 1.00 0.00 C ATOM 784 CG GLN A 52 9.942 16.668 -27.248 1.00 0.00 C ATOM 785 CD GLN A 52 11.360 16.491 -27.786 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.930 15.409 -27.689 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.935 17.544 -28.368 1.00 0.00 N ATOM 0 H GLN A 52 9.879 18.291 -23.321 1.00 0.00 H new ATOM 0 HA GLN A 52 11.103 18.609 -26.037 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.608 16.195 -25.251 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.922 16.667 -25.346 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.350 15.786 -27.493 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.471 17.516 -27.744 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.432 18.429 -28.432 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.878 17.464 -28.750 1.00 0.00 H new ATOM 796 N PRO A 53 9.422 20.636 -25.246 1.00 0.00 N ATOM 797 CA PRO A 53 8.409 21.672 -25.316 1.00 0.00 C ATOM 798 C PRO A 53 7.625 21.667 -26.615 1.00 0.00 C ATOM 799 O PRO A 53 6.405 21.616 -26.591 1.00 0.00 O ATOM 800 CB PRO A 53 9.137 23.010 -25.131 1.00 0.00 C ATOM 801 CG PRO A 53 10.610 22.683 -25.353 1.00 0.00 C ATOM 802 CD PRO A 53 10.690 21.246 -24.852 1.00 0.00 C ATOM 0 HA PRO A 53 7.666 21.497 -24.538 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.785 23.755 -25.845 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.968 23.418 -24.135 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.894 22.766 -26.402 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.266 23.349 -24.792 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.535 20.720 -25.296 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.825 21.212 -23.771 1.00 0.00 H new ATOM 810 N GLN A 54 8.340 21.747 -27.732 1.00 0.00 N ATOM 811 CA GLN A 54 7.770 21.830 -29.069 1.00 0.00 C ATOM 812 C GLN A 54 6.815 20.678 -29.361 1.00 0.00 C ATOM 813 O GLN A 54 5.737 20.912 -29.908 1.00 0.00 O ATOM 814 CB GLN A 54 8.892 21.934 -30.113 1.00 0.00 C ATOM 815 CG GLN A 54 9.874 23.100 -29.871 1.00 0.00 C ATOM 816 CD GLN A 54 10.902 23.216 -30.995 1.00 0.00 C ATOM 817 OE1 GLN A 54 11.062 22.303 -31.800 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.615 24.342 -31.052 1.00 0.00 N ATOM 0 H GLN A 54 9.360 21.756 -27.731 1.00 0.00 H new ATOM 0 HA GLN A 54 7.167 22.736 -29.126 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.451 20.999 -30.123 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.445 22.049 -31.100 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.317 24.034 -29.789 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.388 22.951 -28.921 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.457 25.081 -30.367 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.318 24.464 -31.780 1.00 0.00 H new ATOM 827 N GLN A 55 7.182 19.447 -28.982 1.00 0.00 N ATOM 828 CA GLN A 55 6.292 18.314 -29.196 1.00 0.00 C ATOM 829 C GLN A 55 4.995 18.574 -28.440 1.00 0.00 C ATOM 830 O GLN A 55 3.912 18.399 -28.990 1.00 0.00 O ATOM 831 CB GLN A 55 6.942 16.978 -28.808 1.00 0.00 C ATOM 832 CG GLN A 55 6.037 15.773 -29.114 1.00 0.00 C ATOM 833 CD GLN A 55 5.622 15.703 -30.582 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.446 15.832 -30.904 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.586 15.505 -31.482 1.00 0.00 N ATOM 0 H GLN A 55 8.070 19.219 -28.536 1.00 0.00 H new ATOM 0 HA GLN A 55 6.075 18.221 -30.260 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.884 16.866 -29.345 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.180 16.989 -27.744 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.559 14.855 -28.844 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.144 15.827 -28.491 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.554 15.402 -31.178 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.355 15.457 -32.474 1.00 0.00 H new ATOM 844 N LEU A 56 5.114 19.017 -27.186 1.00 0.00 N ATOM 845 CA LEU A 56 3.954 19.330 -26.381 1.00 0.00 C ATOM 846 C LEU A 56 3.146 20.474 -27.006 1.00 0.00 C ATOM 847 O LEU A 56 1.925 20.409 -27.055 1.00 0.00 O ATOM 848 CB LEU A 56 4.321 19.592 -24.912 1.00 0.00 C ATOM 849 CG LEU A 56 3.081 19.747 -24.010 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.277 18.440 -23.846 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.552 20.286 -22.656 1.00 0.00 C ATOM 0 H LEU A 56 6.007 19.164 -26.715 1.00 0.00 H new ATOM 0 HA LEU A 56 3.309 18.452 -26.371 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.934 18.770 -24.542 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.927 20.496 -24.848 1.00 0.00 H new ATOM 0 HG LEU A 56 2.389 20.444 -24.484 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.418 18.620 -23.199 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.931 18.100 -24.822 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.913 17.675 -23.400 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.694 20.407 -21.994 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.258 19.585 -22.211 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.039 21.251 -22.798 1.00 0.00 H new ATOM 863 N LEU A 57 3.792 21.533 -27.498 1.00 0.00 N ATOM 864 CA LEU A 57 3.047 22.642 -28.094 1.00 0.00 C ATOM 865 C LEU A 57 2.255 22.146 -29.310 1.00 0.00 C ATOM 866 O LEU A 57 1.117 22.568 -29.523 1.00 0.00 O ATOM 867 CB LEU A 57 3.925 23.881 -28.359 1.00 0.00 C ATOM 868 CG LEU A 57 4.773 24.382 -27.162 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.335 25.784 -27.410 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.052 24.361 -25.803 1.00 0.00 C ATOM 0 H LEU A 57 4.806 21.646 -27.497 1.00 0.00 H new ATOM 0 HA LEU A 57 2.316 23.003 -27.370 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.598 23.654 -29.186 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.279 24.696 -28.687 1.00 0.00 H new ATOM 0 HG LEU A 57 5.585 23.657 -27.098 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.923 26.098 -26.548 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.969 25.770 -28.296 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.513 26.484 -27.563 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.725 24.729 -25.028 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.169 24.999 -25.850 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.750 23.341 -25.567 1.00 0.00 H new ATOM 882 N GLN A 58 2.828 21.209 -30.075 1.00 0.00 N ATOM 883 CA GLN A 58 2.134 20.606 -31.205 1.00 0.00 C ATOM 884 C GLN A 58 0.937 19.815 -30.662 1.00 0.00 C ATOM 885 O GLN A 58 -0.180 19.946 -31.155 1.00 0.00 O ATOM 886 CB GLN A 58 3.088 19.722 -32.030 1.00 0.00 C ATOM 887 CG GLN A 58 2.612 19.511 -33.475 1.00 0.00 C ATOM 888 CD GLN A 58 1.274 18.779 -33.571 1.00 0.00 C ATOM 889 OE1 GLN A 58 1.158 17.632 -33.152 1.00 0.00 O ATOM 890 NE2 GLN A 58 0.253 19.439 -34.121 1.00 0.00 N ATOM 0 H GLN A 58 3.773 20.855 -29.926 1.00 0.00 H new ATOM 0 HA GLN A 58 1.773 21.378 -31.884 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.078 20.178 -32.042 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.190 18.753 -31.542 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.524 20.480 -33.966 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.368 18.945 -34.020 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.385 20.392 -34.459 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.659 18.990 -34.203 1.00 0.00 H new ATOM 899 N VAL A 59 1.176 18.999 -29.632 1.00 0.00 N ATOM 900 CA VAL A 59 0.155 18.167 -29.005 1.00 0.00 C ATOM 901 C VAL A 59 -1.010 18.983 -28.454 1.00 0.00 C ATOM 902 O VAL A 59 -2.151 18.530 -28.489 1.00 0.00 O ATOM 903 CB VAL A 59 0.766 17.189 -27.984 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.558 17.524 -26.497 1.00 0.00 C ATOM 905 CG2 VAL A 59 0.283 15.780 -28.211 1.00 0.00 C ATOM 0 H VAL A 59 2.098 18.899 -29.207 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.283 17.548 -29.788 1.00 0.00 H new ATOM 0 HB VAL A 59 1.834 17.292 -28.176 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.035 16.761 -25.882 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.001 18.496 -26.278 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.509 17.553 -26.276 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.734 15.117 -27.473 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.802 15.747 -28.113 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.567 15.455 -29.212 1.00 0.00 H new ATOM 915 N LEU A 60 -0.733 20.202 -27.993 1.00 0.00 N ATOM 916 CA LEU A 60 -1.759 21.082 -27.455 1.00 0.00 C ATOM 917 C LEU A 60 -2.505 21.678 -28.645 1.00 0.00 C ATOM 918 O LEU A 60 -3.726 21.797 -28.585 1.00 0.00 O ATOM 919 CB LEU A 60 -1.087 22.233 -26.684 1.00 0.00 C ATOM 920 CG LEU A 60 -0.839 22.039 -25.178 1.00 0.00 C ATOM 921 CD1 LEU A 60 -2.067 22.487 -24.368 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.516 20.610 -24.741 1.00 0.00 C ATOM 0 H LEU A 60 0.205 20.602 -27.984 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.428 20.536 -26.790 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.127 22.438 -27.158 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.702 23.124 -26.810 1.00 0.00 H new ATOM 0 HG LEU A 60 0.043 22.649 -24.982 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.874 22.343 -23.305 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.265 23.541 -24.561 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.933 21.895 -24.663 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.359 20.586 -23.663 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.346 19.953 -25.002 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.388 20.270 -25.247 1.00 0.00 H new ATOM 934 N GLN A 61 -1.797 22.014 -29.730 1.00 0.00 N ATOM 935 CA GLN A 61 -2.421 22.563 -30.932 1.00 0.00 C ATOM 936 C GLN A 61 -3.352 21.532 -31.576 1.00 0.00 C ATOM 937 O GLN A 61 -4.380 21.899 -32.143 1.00 0.00 O ATOM 938 CB GLN A 61 -1.344 23.054 -31.923 1.00 0.00 C ATOM 939 CG GLN A 61 -1.849 23.332 -33.351 1.00 0.00 C ATOM 940 CD GLN A 61 -0.728 23.798 -34.279 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.451 23.606 -33.995 1.00 0.00 O ATOM 942 NE2 GLN A 61 -1.091 24.400 -35.411 1.00 0.00 N ATOM 0 H GLN A 61 -0.784 21.913 -29.796 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.029 23.423 -30.650 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.898 23.967 -31.528 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.551 22.308 -31.973 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.302 22.427 -33.757 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.630 24.092 -33.317 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.079 24.545 -35.618 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.381 24.716 -36.071 1.00 0.00 H new ATOM 951 N GLN A 62 -2.987 20.248 -31.502 1.00 0.00 N ATOM 952 CA GLN A 62 -3.748 19.156 -32.093 1.00 0.00 C ATOM 953 C GLN A 62 -5.086 18.990 -31.382 1.00 0.00 C ATOM 954 O GLN A 62 -6.093 18.741 -32.041 1.00 0.00 O ATOM 955 CB GLN A 62 -2.906 17.861 -32.180 1.00 0.00 C ATOM 956 CG GLN A 62 -3.284 16.695 -31.244 1.00 0.00 C ATOM 957 CD GLN A 62 -4.615 16.017 -31.570 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.459 15.860 -30.693 1.00 0.00 O ATOM 959 NE2 GLN A 62 -4.810 15.606 -32.823 1.00 0.00 N ATOM 0 H GLN A 62 -2.142 19.940 -31.022 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.987 19.404 -33.127 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.956 17.497 -33.206 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.866 18.124 -31.985 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.492 15.947 -31.281 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.323 17.067 -30.220 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.086 15.753 -33.526 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.683 15.144 -33.078 1.00 0.00 H new ATOM 968 N THR A 63 -5.102 19.129 -30.050 1.00 0.00 N ATOM 969 CA THR A 63 -6.337 18.967 -29.300 1.00 0.00 C ATOM 970 C THR A 63 -7.199 20.222 -29.376 1.00 0.00 C ATOM 971 O THR A 63 -8.422 20.104 -29.448 1.00 0.00 O ATOM 972 CB THR A 63 -6.094 18.451 -27.880 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.322 18.218 -27.221 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.210 19.337 -27.013 1.00 0.00 C ATOM 0 H THR A 63 -4.283 19.350 -29.484 1.00 0.00 H new ATOM 0 HA THR A 63 -6.920 18.180 -29.777 1.00 0.00 H new ATOM 0 HB THR A 63 -5.542 17.520 -28.013 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.149 17.887 -26.315 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.098 18.886 -26.027 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.230 19.440 -27.478 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.668 20.321 -26.912 1.00 0.00 H new ATOM 982 N LEU A 64 -6.583 21.408 -29.370 1.00 0.00 N ATOM 983 CA LEU A 64 -7.348 22.658 -29.465 1.00 0.00 C ATOM 984 C LEU A 64 -6.460 23.881 -29.728 1.00 0.00 C ATOM 985 O LEU A 64 -5.294 23.867 -29.352 1.00 0.00 O ATOM 986 CB LEU A 64 -8.270 22.847 -28.231 1.00 0.00 C ATOM 987 CG LEU A 64 -7.815 23.866 -27.169 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.995 24.202 -26.253 1.00 0.00 C ATOM 989 CD2 LEU A 64 -6.651 23.328 -26.328 1.00 0.00 C ATOM 0 H LEU A 64 -5.573 21.530 -29.302 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.991 22.572 -30.341 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.256 23.146 -28.587 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.387 21.879 -27.744 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.468 24.761 -27.685 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.677 24.923 -25.500 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.805 24.629 -26.845 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.344 23.294 -25.761 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.359 24.076 -25.591 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.962 22.417 -25.817 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.804 23.109 -26.978 1.00 0.00 H new ATOM 1001 N PRO A 65 -6.985 24.960 -30.344 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.229 26.182 -30.592 1.00 0.00 C ATOM 1003 C PRO A 65 -5.946 26.854 -29.236 1.00 0.00 C ATOM 1004 O PRO A 65 -6.891 27.267 -28.569 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.129 27.043 -31.485 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.543 26.580 -31.137 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.352 25.095 -30.826 1.00 0.00 C ATOM 0 HA PRO A 65 -5.269 26.015 -31.080 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.995 28.105 -31.281 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.907 26.890 -32.541 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.946 27.123 -30.282 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.233 26.733 -31.966 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.066 24.759 -30.074 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.514 24.486 -31.715 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.681 26.952 -28.792 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.315 27.512 -27.499 1.00 0.00 C ATOM 1017 C PRO A 66 -3.976 29.013 -27.574 1.00 0.00 C ATOM 1018 O PRO A 66 -2.924 29.371 -28.098 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.115 26.652 -27.100 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.379 26.410 -28.422 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.484 26.480 -29.478 1.00 0.00 C ATOM 0 HA PRO A 66 -5.126 27.483 -26.771 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.480 27.164 -26.377 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.430 25.715 -26.641 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.612 27.165 -28.596 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.880 25.441 -28.430 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.207 27.158 -30.286 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.654 25.502 -29.927 1.00 0.00 H new ATOM 1029 N PRO A 67 -4.820 29.920 -27.047 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.530 31.350 -27.048 1.00 0.00 C ATOM 1031 C PRO A 67 -3.471 31.664 -25.982 1.00 0.00 C ATOM 1032 O PRO A 67 -2.604 32.510 -26.184 1.00 0.00 O ATOM 1033 CB PRO A 67 -5.867 32.028 -26.741 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.594 31.009 -25.865 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.098 29.661 -26.396 1.00 0.00 C ATOM 0 HA PRO A 67 -4.125 31.702 -27.997 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.726 32.975 -26.221 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.425 32.244 -27.652 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.350 31.139 -24.811 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.676 31.102 -25.955 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.982 28.943 -25.584 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.813 29.234 -27.100 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.548 30.963 -24.846 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.643 31.081 -23.710 1.00 0.00 C ATOM 1045 C VAL A 68 -1.215 30.847 -24.176 1.00 0.00 C ATOM 1046 O VAL A 68 -0.320 31.607 -23.834 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.035 30.094 -22.604 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.896 29.991 -21.586 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.319 30.594 -21.935 1.00 0.00 C ATOM 0 H VAL A 68 -4.278 30.268 -24.692 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.715 32.086 -23.293 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.212 29.103 -23.022 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.174 29.290 -20.799 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.993 29.638 -22.085 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.709 30.972 -21.148 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.611 29.902 -21.145 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.145 31.581 -21.507 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.116 30.655 -22.677 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.026 29.796 -24.972 1.00 0.00 N ATOM 1060 CA PHE A 69 0.258 29.447 -25.573 1.00 0.00 C ATOM 1061 C PHE A 69 0.925 30.700 -26.143 1.00 0.00 C ATOM 1062 O PHE A 69 2.104 30.932 -25.902 1.00 0.00 O ATOM 1063 CB PHE A 69 0.016 28.362 -26.630 1.00 0.00 C ATOM 1064 CG PHE A 69 0.851 28.390 -27.894 1.00 0.00 C ATOM 1065 CD1 PHE A 69 0.433 29.183 -28.980 1.00 0.00 C ATOM 1066 CD2 PHE A 69 2.024 27.625 -27.997 1.00 0.00 C ATOM 1067 CE1 PHE A 69 1.183 29.215 -30.165 1.00 0.00 C ATOM 1068 CE2 PHE A 69 2.775 27.656 -29.189 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.356 28.449 -30.269 1.00 0.00 C ATOM 0 H PHE A 69 -1.776 29.151 -25.221 1.00 0.00 H new ATOM 0 HA PHE A 69 0.946 29.045 -24.829 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.168 27.394 -26.153 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.033 28.412 -26.923 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.470 29.770 -28.900 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.349 27.016 -27.167 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.860 29.826 -30.995 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.677 27.067 -29.272 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.936 28.470 -31.180 1.00 0.00 H new ATOM 1079 N GLN A 70 0.165 31.522 -26.872 1.00 0.00 N ATOM 1080 CA GLN A 70 0.694 32.751 -27.460 1.00 0.00 C ATOM 1081 C GLN A 70 1.179 33.712 -26.371 1.00 0.00 C ATOM 1082 O GLN A 70 2.254 34.292 -26.493 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.348 33.420 -28.371 1.00 0.00 C ATOM 1084 CG GLN A 70 0.263 34.581 -29.167 1.00 0.00 C ATOM 1085 CD GLN A 70 -0.776 35.249 -30.062 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -0.708 35.150 -31.284 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -1.743 35.937 -29.454 1.00 0.00 N ATOM 0 H GLN A 70 -0.822 31.356 -27.068 1.00 0.00 H new ATOM 0 HA GLN A 70 1.552 32.488 -28.078 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -0.758 32.681 -29.060 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.178 33.788 -27.767 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.680 35.317 -28.479 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.088 34.212 -29.777 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.765 35.995 -28.436 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.461 36.405 -30.007 1.00 0.00 H new ATOM 1096 N MET A 71 0.378 33.856 -25.313 1.00 0.00 N ATOM 1097 CA MET A 71 0.606 34.692 -24.135 1.00 0.00 C ATOM 1098 C MET A 71 1.871 34.197 -23.413 1.00 0.00 C ATOM 1099 O MET A 71 2.630 34.989 -22.856 1.00 0.00 O ATOM 1100 CB MET A 71 -0.634 34.733 -23.225 1.00 0.00 C ATOM 1101 CG MET A 71 -1.918 35.166 -23.965 1.00 0.00 C ATOM 1102 SD MET A 71 -2.898 36.458 -23.154 1.00 0.00 S ATOM 1103 CE MET A 71 -3.364 35.591 -21.642 1.00 0.00 C ATOM 0 H MET A 71 -0.509 33.356 -25.254 1.00 0.00 H new ATOM 0 HA MET A 71 0.772 35.725 -24.439 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.789 33.746 -22.789 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.449 35.421 -22.400 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.641 35.517 -24.959 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.550 34.288 -24.101 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.975 36.246 -21.021 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.933 34.697 -21.896 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.466 35.306 -21.094 1.00 0.00 H new ATOM 1113 N LEU A 72 2.117 32.884 -23.462 1.00 0.00 N ATOM 1114 CA LEU A 72 3.292 32.235 -22.918 1.00 0.00 C ATOM 1115 C LEU A 72 4.484 32.645 -23.771 1.00 0.00 C ATOM 1116 O LEU A 72 5.548 32.950 -23.239 1.00 0.00 O ATOM 1117 CB LEU A 72 3.076 30.703 -22.828 1.00 0.00 C ATOM 1118 CG LEU A 72 4.293 29.815 -23.142 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.359 29.859 -22.040 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.828 28.363 -23.288 1.00 0.00 C ATOM 0 H LEU A 72 1.472 32.227 -23.901 1.00 0.00 H new ATOM 0 HA LEU A 72 3.487 32.551 -21.893 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.732 30.466 -21.821 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.271 30.432 -23.511 1.00 0.00 H new ATOM 0 HG LEU A 72 4.737 30.196 -24.062 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.194 29.214 -22.315 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.715 30.882 -21.919 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.927 29.512 -21.101 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.685 27.727 -23.511 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.364 28.034 -22.358 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.104 28.293 -24.099 1.00 0.00 H new ATOM 1132 N LEU A 73 4.307 32.661 -25.094 1.00 0.00 N ATOM 1133 CA LEU A 73 5.417 33.022 -25.972 1.00 0.00 C ATOM 1134 C LEU A 73 5.808 34.488 -25.859 1.00 0.00 C ATOM 1135 O LEU A 73 6.972 34.841 -26.023 1.00 0.00 O ATOM 1136 CB LEU A 73 5.139 32.707 -27.448 1.00 0.00 C ATOM 1137 CG LEU A 73 4.787 31.260 -27.820 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.610 31.230 -29.333 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.810 30.216 -27.367 1.00 0.00 C ATOM 0 H LEU A 73 3.433 32.435 -25.568 1.00 0.00 H new ATOM 0 HA LEU A 73 6.245 32.403 -25.625 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.320 33.346 -27.778 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.019 32.995 -28.023 1.00 0.00 H new ATOM 0 HG LEU A 73 3.877 30.980 -27.290 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.357 30.218 -29.650 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.808 31.911 -29.619 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.538 31.540 -29.814 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.478 29.224 -27.673 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.776 30.432 -27.823 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.906 30.247 -26.282 1.00 0.00 H new ATOM 1151 N THR A 74 4.826 35.337 -25.586 1.00 0.00 N ATOM 1152 CA THR A 74 4.956 36.766 -25.445 1.00 0.00 C ATOM 1153 C THR A 74 5.502 37.076 -24.056 1.00 0.00 C ATOM 1154 O THR A 74 6.209 38.068 -23.889 1.00 0.00 O ATOM 1155 CB THR A 74 3.556 37.348 -25.660 1.00 0.00 C ATOM 1156 OG1 THR A 74 2.667 36.538 -24.994 1.00 0.00 O ATOM 1157 CG2 THR A 74 3.090 37.415 -27.120 1.00 0.00 C ATOM 0 H THR A 74 3.866 35.020 -25.451 1.00 0.00 H new ATOM 0 HA THR A 74 5.648 37.202 -26.165 1.00 0.00 H new ATOM 0 HB THR A 74 3.596 38.375 -25.297 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.009 36.346 -24.096 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.088 37.842 -27.163 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.775 38.040 -27.692 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.075 36.411 -27.544 1.00 0.00 H new ATOM 1165 N LYS A 75 5.199 36.231 -23.058 1.00 0.00 N ATOM 1166 CA LYS A 75 5.704 36.445 -21.711 1.00 0.00 C ATOM 1167 C LYS A 75 7.229 36.298 -21.642 1.00 0.00 C ATOM 1168 O LYS A 75 7.850 36.827 -20.722 1.00 0.00 O ATOM 1169 CB LYS A 75 5.009 35.446 -20.774 1.00 0.00 C ATOM 1170 CG LYS A 75 3.802 36.035 -20.022 1.00 0.00 C ATOM 1171 CD LYS A 75 4.169 36.913 -18.817 1.00 0.00 C ATOM 1172 CE LYS A 75 4.831 36.117 -17.684 1.00 0.00 C ATOM 1173 NZ LYS A 75 5.070 36.961 -16.497 1.00 0.00 N ATOM 0 H LYS A 75 4.612 35.404 -23.166 1.00 0.00 H new ATOM 0 HA LYS A 75 5.482 37.466 -21.401 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.678 34.586 -21.356 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.734 35.079 -20.047 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.209 36.627 -20.719 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.169 35.217 -19.680 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.844 37.705 -19.142 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.269 37.397 -18.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.196 35.275 -17.411 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.777 35.703 -18.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.518 36.392 -15.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.696 37.751 -16.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.164 37.336 -16.150 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.252 14.205 -25.555 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.065 13.678 -26.201 1.00 0.00 C ATOM 1590 C LEU B 7 -3.262 12.808 -25.251 1.00 0.00 C ATOM 1591 O LEU B 7 -2.693 11.832 -25.704 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.240 14.775 -26.900 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.567 15.924 -26.117 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.490 16.865 -25.359 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.386 15.520 -25.233 1.00 0.00 C ATOM 0 HA LEU B 7 -4.387 13.021 -27.009 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.450 14.268 -27.453 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.896 15.240 -27.636 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.169 16.496 -26.955 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.897 17.626 -24.852 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.175 17.345 -26.058 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.061 16.300 -24.622 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.989 16.402 -24.730 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.719 14.797 -24.489 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.606 15.073 -25.850 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.200 13.136 -23.957 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.387 12.404 -22.995 1.00 0.00 C ATOM 1609 C LEU B 8 -2.805 10.941 -22.842 1.00 0.00 C ATOM 1610 O LEU B 8 -2.006 10.130 -22.378 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.216 13.151 -21.671 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.489 14.526 -21.694 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.099 14.525 -22.356 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.367 15.712 -22.126 1.00 0.00 C ATOM 0 H LEU B 8 -3.714 13.918 -23.552 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.384 12.357 -23.420 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.207 13.305 -21.245 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.673 12.498 -20.988 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.283 14.698 -20.637 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.322 15.530 -22.320 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.558 13.837 -21.823 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.191 14.207 -23.395 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.775 16.627 -22.112 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.742 15.538 -23.134 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.207 15.812 -21.438 1.00 0.00 H new