USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 517 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 LYS NZ :NH3+ -160:sc= 2.15 (180deg=1.1) USER MOD Set 1.2: A 42 HIS : no HE2:sc= 1.26 K(o=3.4,f=-5.8!) USER MOD Single : A 17 GLN : amide:sc= -0.0465 K(o=-0.047,f=-4.5!) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.24) 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 73:sc= 1.19 USER MOD Single : A 45 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0955 X(o=-0.096,f=-0.096) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 55 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.89) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 61 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.444 X(o=0.44,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= -0.228 (180deg=-0.228) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= 1.22 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.998 7.704 -15.221 1.00 0.00 N ATOM 205 CA GLU A 14 5.639 7.637 -14.693 1.00 0.00 C ATOM 206 C GLU A 14 5.436 8.742 -13.648 1.00 0.00 C ATOM 207 O GLU A 14 4.399 9.402 -13.617 1.00 0.00 O ATOM 208 CB GLU A 14 5.359 6.254 -14.084 1.00 0.00 C ATOM 209 CG GLU A 14 3.859 6.067 -13.817 1.00 0.00 C ATOM 210 CD GLU A 14 3.591 4.874 -12.909 1.00 0.00 C ATOM 211 OE1 GLU A 14 4.001 3.760 -13.297 1.00 0.00 O ATOM 212 OE2 GLU A 14 2.991 5.104 -11.834 1.00 0.00 O ATOM 0 HA GLU A 14 4.934 7.790 -15.511 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.712 5.476 -14.761 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.915 6.143 -13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.456 6.970 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.336 5.929 -14.763 1.00 0.00 H new ATOM 219 N ALA A 15 6.445 8.948 -12.795 1.00 0.00 N ATOM 220 CA ALA A 15 6.430 9.958 -11.739 1.00 0.00 C ATOM 221 C ALA A 15 6.373 11.369 -12.315 1.00 0.00 C ATOM 222 O ALA A 15 5.986 12.308 -11.622 1.00 0.00 O ATOM 223 CB ALA A 15 7.685 9.831 -10.873 1.00 0.00 C ATOM 0 H ALA A 15 7.309 8.406 -12.822 1.00 0.00 H new ATOM 0 HA ALA A 15 5.537 9.788 -11.137 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.664 10.588 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.716 8.840 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.570 9.974 -11.492 1.00 0.00 H new ATOM 229 N VAL A 16 6.767 11.502 -13.579 1.00 0.00 N ATOM 230 CA VAL A 16 6.787 12.758 -14.299 1.00 0.00 C ATOM 231 C VAL A 16 5.518 12.833 -15.136 1.00 0.00 C ATOM 232 O VAL A 16 5.023 13.928 -15.346 1.00 0.00 O ATOM 233 CB VAL A 16 8.103 12.885 -15.094 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.983 13.418 -16.519 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.172 13.624 -14.307 1.00 0.00 C ATOM 0 H VAL A 16 7.089 10.713 -14.140 1.00 0.00 H new ATOM 0 HA VAL A 16 6.781 13.621 -13.633 1.00 0.00 H new ATOM 0 HB VAL A 16 8.416 11.850 -15.231 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.972 13.462 -16.975 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.343 12.756 -17.102 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.548 14.417 -16.498 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.082 13.691 -14.903 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.820 14.628 -14.068 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.382 13.084 -13.384 1.00 0.00 H new ATOM 245 N GLN A 17 4.975 11.699 -15.602 1.00 0.00 N ATOM 246 CA GLN A 17 3.761 11.684 -16.409 1.00 0.00 C ATOM 247 C GLN A 17 2.573 12.106 -15.564 1.00 0.00 C ATOM 248 O GLN A 17 1.812 12.980 -15.971 1.00 0.00 O ATOM 249 CB GLN A 17 3.502 10.316 -17.060 1.00 0.00 C ATOM 250 CG GLN A 17 2.267 10.322 -17.981 1.00 0.00 C ATOM 251 CD GLN A 17 1.075 9.576 -17.378 1.00 0.00 C ATOM 252 OE1 GLN A 17 0.711 9.799 -16.226 1.00 0.00 O ATOM 253 NE2 GLN A 17 0.455 8.684 -18.146 1.00 0.00 N ATOM 0 H GLN A 17 5.368 10.774 -15.427 1.00 0.00 H new ATOM 0 HA GLN A 17 3.901 12.396 -17.222 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.379 10.020 -17.636 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.365 9.567 -16.280 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.978 11.353 -18.187 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.529 9.867 -18.936 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.779 8.519 -19.099 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.344 8.165 -17.782 1.00 0.00 H new ATOM 262 N LYS A 18 2.423 11.474 -14.396 1.00 0.00 N ATOM 263 CA LYS A 18 1.305 11.758 -13.506 1.00 0.00 C ATOM 264 C LYS A 18 1.286 13.245 -13.139 1.00 0.00 C ATOM 265 O LYS A 18 0.254 13.905 -13.270 1.00 0.00 O ATOM 266 CB LYS A 18 1.347 10.805 -12.287 1.00 0.00 C ATOM 267 CG LYS A 18 1.218 9.305 -12.652 1.00 0.00 C ATOM 268 CD LYS A 18 1.203 8.363 -11.438 1.00 0.00 C ATOM 269 CE LYS A 18 2.568 8.224 -10.745 1.00 0.00 C ATOM 270 NZ LYS A 18 2.645 6.990 -9.938 1.00 0.00 N ATOM 0 H LYS A 18 3.066 10.762 -14.049 1.00 0.00 H new ATOM 0 HA LYS A 18 0.358 11.564 -14.010 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.284 10.958 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.542 11.072 -11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.301 9.159 -13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.047 9.028 -13.303 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.474 8.729 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.867 7.377 -11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.359 8.219 -11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.742 9.089 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.585 6.921 -9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.917 7.015 -9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.487 6.164 -10.550 1.00 0.00 H new ATOM 284 N PHE A 19 2.428 13.783 -12.711 1.00 0.00 N ATOM 285 CA PHE A 19 2.524 15.193 -12.370 1.00 0.00 C ATOM 286 C PHE A 19 2.386 16.092 -13.612 1.00 0.00 C ATOM 287 O PHE A 19 1.691 17.103 -13.552 1.00 0.00 O ATOM 288 CB PHE A 19 3.827 15.472 -11.605 1.00 0.00 C ATOM 289 CG PHE A 19 4.251 16.913 -11.773 1.00 0.00 C ATOM 290 CD1 PHE A 19 3.761 17.923 -10.926 1.00 0.00 C ATOM 291 CD2 PHE A 19 5.118 17.238 -12.827 1.00 0.00 C ATOM 292 CE1 PHE A 19 4.143 19.261 -11.139 1.00 0.00 C ATOM 293 CE2 PHE A 19 5.485 18.570 -13.038 1.00 0.00 C ATOM 294 CZ PHE A 19 5.007 19.581 -12.205 1.00 0.00 C ATOM 0 H PHE A 19 3.296 13.260 -12.594 1.00 0.00 H new ATOM 0 HA PHE A 19 1.689 15.439 -11.714 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.687 15.251 -10.547 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.615 14.812 -11.967 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.094 17.673 -10.115 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.500 16.462 -13.473 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.775 20.040 -10.487 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.146 18.819 -13.855 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.298 20.607 -12.377 1.00 0.00 H new ATOM 304 N PHE A 20 3.055 15.753 -14.723 1.00 0.00 N ATOM 305 CA PHE A 20 3.033 16.541 -15.963 1.00 0.00 C ATOM 306 C PHE A 20 1.576 16.777 -16.357 1.00 0.00 C ATOM 307 O PHE A 20 1.174 17.907 -16.621 1.00 0.00 O ATOM 308 CB PHE A 20 3.827 15.815 -17.058 1.00 0.00 C ATOM 309 CG PHE A 20 3.788 16.322 -18.481 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.255 17.612 -18.773 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.316 15.494 -19.518 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.258 18.075 -20.098 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.321 15.957 -20.843 1.00 0.00 C ATOM 314 CZ PHE A 20 3.796 17.246 -21.131 1.00 0.00 C ATOM 0 H PHE A 20 3.633 14.915 -14.786 1.00 0.00 H new ATOM 0 HA PHE A 20 3.511 17.510 -15.819 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.872 15.802 -16.747 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.486 14.780 -17.073 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.612 18.249 -17.978 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.950 14.503 -19.294 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.616 19.069 -20.322 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.960 15.323 -21.639 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.806 17.601 -22.151 1.00 0.00 H new ATOM 324 N LEU A 21 0.782 15.699 -16.352 1.00 0.00 N ATOM 325 CA LEU A 21 -0.641 15.743 -16.640 1.00 0.00 C ATOM 326 C LEU A 21 -1.365 16.589 -15.605 1.00 0.00 C ATOM 327 O LEU A 21 -2.197 17.408 -15.980 1.00 0.00 O ATOM 328 CB LEU A 21 -1.222 14.318 -16.661 1.00 0.00 C ATOM 329 CG LEU A 21 -1.613 13.776 -18.045 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.760 12.253 -17.909 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.896 14.486 -18.500 1.00 0.00 C ATOM 0 H LEU A 21 1.124 14.761 -16.143 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.784 16.196 -17.621 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.490 13.641 -16.220 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.104 14.296 -16.020 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.863 13.971 -18.812 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.038 11.827 -18.873 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.813 11.824 -17.582 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.534 12.026 -17.175 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.189 14.114 -19.482 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.694 14.289 -17.784 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.717 15.560 -18.558 1.00 0.00 H new ATOM 343 N GLU A 22 -1.057 16.415 -14.316 1.00 0.00 N ATOM 344 CA GLU A 22 -1.698 17.230 -13.294 1.00 0.00 C ATOM 345 C GLU A 22 -1.424 18.716 -13.554 1.00 0.00 C ATOM 346 O GLU A 22 -2.272 19.547 -13.244 1.00 0.00 O ATOM 347 CB GLU A 22 -1.262 16.808 -11.882 1.00 0.00 C ATOM 348 CG GLU A 22 -2.040 17.592 -10.813 1.00 0.00 C ATOM 349 CD GLU A 22 -1.767 17.101 -9.397 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.425 15.912 -9.223 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.930 17.913 -8.462 1.00 0.00 O ATOM 0 H GLU A 22 -0.384 15.733 -13.967 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.775 17.069 -13.350 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.429 15.739 -11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.193 16.981 -11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.778 18.648 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.108 17.514 -11.019 1.00 0.00 H new ATOM 358 N GLU A 23 -0.261 19.052 -14.129 1.00 0.00 N ATOM 359 CA GLU A 23 0.120 20.422 -14.420 1.00 0.00 C ATOM 360 C GLU A 23 -0.675 20.909 -15.629 1.00 0.00 C ATOM 361 O GLU A 23 -1.267 21.982 -15.580 1.00 0.00 O ATOM 362 CB GLU A 23 1.634 20.604 -14.538 1.00 0.00 C ATOM 363 CG GLU A 23 1.970 22.038 -14.091 1.00 0.00 C ATOM 364 CD GLU A 23 2.237 22.203 -12.597 1.00 0.00 C ATOM 365 OE1 GLU A 23 1.680 21.415 -11.804 1.00 0.00 O ATOM 366 OE2 GLU A 23 2.986 23.150 -12.272 1.00 0.00 O ATOM 0 H GLU A 23 0.442 18.366 -14.404 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.141 21.061 -13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.156 19.877 -13.916 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.960 20.437 -15.565 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.848 22.378 -14.641 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.145 22.693 -14.372 1.00 0.00 H new ATOM 373 N ILE A 24 -0.717 20.086 -16.687 1.00 0.00 N ATOM 374 CA ILE A 24 -1.503 20.323 -17.908 1.00 0.00 C ATOM 375 C ILE A 24 -2.925 20.698 -17.441 1.00 0.00 C ATOM 376 O ILE A 24 -3.443 21.767 -17.779 1.00 0.00 O ATOM 377 CB ILE A 24 -1.426 19.078 -18.883 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.335 19.171 -19.991 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.748 18.550 -19.478 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.722 18.510 -21.323 1.00 0.00 C ATOM 0 H ILE A 24 -0.191 19.213 -16.718 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.109 21.142 -18.509 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.118 18.322 -18.161 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.109 20.222 -20.173 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.580 18.707 -19.622 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.541 17.698 -20.125 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.412 18.240 -18.671 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.226 19.339 -20.059 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.095 18.622 -22.036 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.918 17.450 -21.160 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.618 18.988 -21.720 1.00 0.00 H new ATOM 392 N GLN A 25 -3.537 19.832 -16.623 1.00 0.00 N ATOM 393 CA GLN A 25 -4.890 20.034 -16.113 1.00 0.00 C ATOM 394 C GLN A 25 -5.021 21.215 -15.151 1.00 0.00 C ATOM 395 O GLN A 25 -6.043 21.898 -15.151 1.00 0.00 O ATOM 396 CB GLN A 25 -5.411 18.754 -15.434 1.00 0.00 C ATOM 397 CG GLN A 25 -5.535 17.518 -16.343 1.00 0.00 C ATOM 398 CD GLN A 25 -6.634 16.589 -15.834 1.00 0.00 C ATOM 399 OE1 GLN A 25 -7.770 16.641 -16.302 1.00 0.00 O ATOM 400 NE2 GLN A 25 -6.307 15.745 -14.856 1.00 0.00 N ATOM 0 H GLN A 25 -3.101 18.969 -16.298 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.498 20.273 -16.985 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.746 18.508 -14.606 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.390 18.966 -15.004 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.758 17.830 -17.363 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.585 16.985 -16.373 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.354 15.730 -14.493 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.010 15.114 -14.471 1.00 0.00 H new ATOM 409 N LEU A 26 -4.016 21.448 -14.312 1.00 0.00 N ATOM 410 CA LEU A 26 -4.009 22.529 -13.325 1.00 0.00 C ATOM 411 C LEU A 26 -4.002 23.881 -14.036 1.00 0.00 C ATOM 412 O LEU A 26 -4.843 24.726 -13.740 1.00 0.00 O ATOM 413 CB LEU A 26 -2.872 22.303 -12.314 1.00 0.00 C ATOM 414 CG LEU A 26 -2.472 23.408 -11.331 1.00 0.00 C ATOM 415 CD1 LEU A 26 -1.941 24.683 -11.976 1.00 0.00 C ATOM 416 CD2 LEU A 26 -3.617 23.747 -10.395 1.00 0.00 C ATOM 0 H LEU A 26 -3.167 20.882 -14.297 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.922 22.529 -12.729 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.138 21.427 -11.722 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.981 22.043 -12.885 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.638 22.985 -10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.685 25.404 -11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.052 24.451 -12.563 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.705 25.107 -12.627 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.305 24.534 -9.708 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.473 24.091 -10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.897 22.860 -9.827 1.00 0.00 H new ATOM 428 N GLY A 27 -3.077 24.097 -14.978 1.00 0.00 N ATOM 429 CA GLY A 27 -3.012 25.347 -15.724 1.00 0.00 C ATOM 430 C GLY A 27 -4.305 25.533 -16.497 1.00 0.00 C ATOM 431 O GLY A 27 -4.975 26.544 -16.316 1.00 0.00 O ATOM 0 H GLY A 27 -2.363 23.416 -15.238 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.858 26.184 -15.043 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.164 25.333 -16.408 1.00 0.00 H new ATOM 435 N GLU A 28 -4.672 24.562 -17.339 1.00 0.00 N ATOM 436 CA GLU A 28 -5.909 24.652 -18.107 1.00 0.00 C ATOM 437 C GLU A 28 -7.120 24.976 -17.215 1.00 0.00 C ATOM 438 O GLU A 28 -7.987 25.751 -17.611 1.00 0.00 O ATOM 439 CB GLU A 28 -6.045 23.393 -18.967 1.00 0.00 C ATOM 440 CG GLU A 28 -4.957 23.446 -20.064 1.00 0.00 C ATOM 441 CD GLU A 28 -4.459 22.085 -20.532 1.00 0.00 C ATOM 442 OE1 GLU A 28 -5.044 21.070 -20.102 1.00 0.00 O ATOM 443 OE2 GLU A 28 -3.481 22.086 -21.313 1.00 0.00 O ATOM 0 H GLU A 28 -4.132 23.712 -17.503 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.874 25.499 -18.792 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.927 22.499 -18.355 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.037 23.343 -19.416 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.352 23.988 -20.923 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.109 24.019 -19.688 1.00 0.00 H new ATOM 450 N GLU A 29 -7.161 24.423 -15.998 1.00 0.00 N ATOM 451 CA GLU A 29 -8.220 24.690 -15.022 1.00 0.00 C ATOM 452 C GLU A 29 -8.137 26.133 -14.516 1.00 0.00 C ATOM 453 O GLU A 29 -9.150 26.822 -14.444 1.00 0.00 O ATOM 454 CB GLU A 29 -8.136 23.700 -13.859 1.00 0.00 C ATOM 455 CG GLU A 29 -9.238 23.819 -12.801 1.00 0.00 C ATOM 456 CD GLU A 29 -10.506 23.087 -13.226 1.00 0.00 C ATOM 457 OE1 GLU A 29 -11.165 23.575 -14.167 1.00 0.00 O ATOM 458 OE2 GLU A 29 -10.771 22.025 -12.621 1.00 0.00 O ATOM 0 H GLU A 29 -6.452 23.771 -15.661 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.184 24.559 -15.514 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.156 22.689 -14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.171 23.827 -13.368 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.881 23.411 -11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.465 24.871 -12.628 1.00 0.00 H new ATOM 465 N LEU A 30 -6.944 26.623 -14.166 1.00 0.00 N ATOM 466 CA LEU A 30 -6.808 28.001 -13.711 1.00 0.00 C ATOM 467 C LEU A 30 -7.251 28.950 -14.821 1.00 0.00 C ATOM 468 O LEU A 30 -7.922 29.944 -14.551 1.00 0.00 O ATOM 469 CB LEU A 30 -5.376 28.293 -13.236 1.00 0.00 C ATOM 470 CG LEU A 30 -5.066 27.896 -11.782 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.594 28.194 -11.485 1.00 0.00 C ATOM 472 CD2 LEU A 30 -5.917 28.670 -10.763 1.00 0.00 C ATOM 0 H LEU A 30 -6.073 26.092 -14.190 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.455 28.159 -12.848 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.680 27.771 -13.893 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.184 29.360 -13.352 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.295 26.835 -11.685 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.367 27.915 -10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.963 27.621 -12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.403 29.258 -11.623 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.657 28.350 -9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.726 29.738 -10.866 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.973 28.472 -10.946 1.00 0.00 H new ATOM 484 N LEU A 31 -6.923 28.635 -16.074 1.00 0.00 N ATOM 485 CA LEU A 31 -7.371 29.436 -17.213 1.00 0.00 C ATOM 486 C LEU A 31 -8.877 29.320 -17.344 1.00 0.00 C ATOM 487 O LEU A 31 -9.536 30.291 -17.706 1.00 0.00 O ATOM 488 CB LEU A 31 -6.661 28.972 -18.462 1.00 0.00 C ATOM 489 CG LEU A 31 -5.225 29.498 -18.486 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.497 29.700 -17.155 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.470 28.500 -19.346 1.00 0.00 C ATOM 0 H LEU A 31 -6.349 27.831 -16.326 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.126 30.487 -17.061 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.657 27.883 -18.502 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.198 29.321 -19.344 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.265 30.521 -18.861 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.492 30.077 -17.344 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.045 30.419 -16.546 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.435 28.749 -16.626 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.425 28.800 -19.419 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.533 27.510 -18.895 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.910 28.473 -20.343 1.00 0.00 H new ATOM 503 N ALA A 32 -9.420 28.155 -16.987 1.00 0.00 N ATOM 504 CA ALA A 32 -10.863 27.967 -16.938 1.00 0.00 C ATOM 505 C ALA A 32 -11.491 28.994 -15.981 1.00 0.00 C ATOM 506 O ALA A 32 -12.668 29.320 -16.123 1.00 0.00 O ATOM 507 CB ALA A 32 -11.253 26.528 -16.574 1.00 0.00 C ATOM 0 H ALA A 32 -8.879 27.330 -16.728 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.261 28.137 -17.938 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.339 26.440 -16.551 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.849 25.842 -17.319 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.848 26.278 -15.593 1.00 0.00 H new ATOM 513 N GLN A 33 -10.699 29.531 -15.036 1.00 0.00 N ATOM 514 CA GLN A 33 -11.105 30.569 -14.102 1.00 0.00 C ATOM 515 C GLN A 33 -10.770 31.929 -14.728 1.00 0.00 C ATOM 516 O GLN A 33 -11.523 32.888 -14.580 1.00 0.00 O ATOM 517 CB GLN A 33 -10.414 30.358 -12.744 1.00 0.00 C ATOM 518 CG GLN A 33 -11.453 30.329 -11.618 1.00 0.00 C ATOM 519 CD GLN A 33 -10.807 30.181 -10.243 1.00 0.00 C ATOM 520 OE1 GLN A 33 -10.984 29.168 -9.573 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.056 31.193 -9.809 1.00 0.00 N ATOM 0 H GLN A 33 -9.731 29.238 -14.906 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.178 30.529 -13.912 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.853 29.423 -12.755 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.696 31.158 -12.565 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.041 31.246 -11.645 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.144 29.502 -11.784 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.930 32.021 -10.392 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.608 31.140 -8.894 1.00 0.00 H new ATOM 530 N GLY A 34 -9.642 31.981 -15.446 1.00 0.00 N ATOM 531 CA GLY A 34 -9.128 33.126 -16.183 1.00 0.00 C ATOM 532 C GLY A 34 -7.689 33.499 -15.826 1.00 0.00 C ATOM 533 O GLY A 34 -7.244 34.576 -16.222 1.00 0.00 O ATOM 0 H GLY A 34 -9.030 31.169 -15.529 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.183 32.913 -17.251 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.772 33.985 -15.996 1.00 0.00 H new ATOM 537 N ASP A 35 -6.950 32.655 -15.087 1.00 0.00 N ATOM 538 CA ASP A 35 -5.584 33.007 -14.678 1.00 0.00 C ATOM 539 C ASP A 35 -4.499 32.692 -15.719 1.00 0.00 C ATOM 540 O ASP A 35 -3.558 31.947 -15.458 1.00 0.00 O ATOM 541 CB ASP A 35 -5.272 32.441 -13.285 1.00 0.00 C ATOM 542 CG ASP A 35 -4.200 33.256 -12.560 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.368 33.879 -13.258 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.215 33.213 -11.312 1.00 0.00 O ATOM 0 H ASP A 35 -7.269 31.741 -14.766 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.556 34.095 -14.613 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.183 32.428 -12.687 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.939 31.408 -13.380 1.00 0.00 H new ATOM 549 N TYR A 36 -4.632 33.289 -16.906 1.00 0.00 N ATOM 550 CA TYR A 36 -3.741 33.203 -18.063 1.00 0.00 C ATOM 551 C TYR A 36 -2.267 33.251 -17.692 1.00 0.00 C ATOM 552 O TYR A 36 -1.466 32.473 -18.210 1.00 0.00 O ATOM 553 CB TYR A 36 -4.094 34.331 -19.043 1.00 0.00 C ATOM 554 CG TYR A 36 -5.582 34.498 -19.303 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.342 33.422 -19.801 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.211 35.729 -19.035 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.719 33.576 -20.028 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.589 35.882 -19.263 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.344 34.805 -19.757 1.00 0.00 C ATOM 560 OH TYR A 36 -9.682 34.948 -19.978 1.00 0.00 O ATOM 0 H TYR A 36 -5.431 33.894 -17.097 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.895 32.230 -18.531 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.698 35.269 -18.655 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.591 34.142 -19.991 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.864 32.476 -20.009 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.633 36.558 -18.653 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.298 32.749 -20.411 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.068 36.828 -19.058 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.958 35.858 -19.739 1.00 0.00 H new ATOM 570 N GLU A 37 -1.921 34.171 -16.795 1.00 0.00 N ATOM 571 CA GLU A 37 -0.544 34.345 -16.360 1.00 0.00 C ATOM 572 C GLU A 37 -0.055 33.092 -15.646 1.00 0.00 C ATOM 573 O GLU A 37 1.060 32.625 -15.878 1.00 0.00 O ATOM 574 CB GLU A 37 -0.345 35.633 -15.553 1.00 0.00 C ATOM 575 CG GLU A 37 1.157 35.905 -15.384 1.00 0.00 C ATOM 576 CD GLU A 37 1.444 37.333 -14.939 1.00 0.00 C ATOM 577 OE1 GLU A 37 0.794 37.773 -13.968 1.00 0.00 O ATOM 578 OE2 GLU A 37 2.318 37.955 -15.584 1.00 0.00 O ATOM 0 H GLU A 37 -2.583 34.810 -16.355 1.00 0.00 H new ATOM 0 HA GLU A 37 0.084 34.474 -17.242 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.822 36.471 -16.062 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.821 35.540 -14.577 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.569 35.210 -14.652 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.666 35.713 -16.328 1.00 0.00 H new ATOM 585 N LYS A 38 -0.916 32.533 -14.799 1.00 0.00 N ATOM 586 CA LYS A 38 -0.595 31.304 -14.097 1.00 0.00 C ATOM 587 C LYS A 38 -0.497 30.154 -15.089 1.00 0.00 C ATOM 588 O LYS A 38 0.341 29.276 -14.902 1.00 0.00 O ATOM 589 CB LYS A 38 -1.585 30.998 -12.964 1.00 0.00 C ATOM 590 CG LYS A 38 -1.065 31.450 -11.590 1.00 0.00 C ATOM 591 CD LYS A 38 -0.065 30.386 -11.122 1.00 0.00 C ATOM 592 CE LYS A 38 0.828 30.773 -9.947 1.00 0.00 C ATOM 593 NZ LYS A 38 1.868 29.739 -9.758 1.00 0.00 N ATOM 0 H LYS A 38 -1.838 32.914 -14.586 1.00 0.00 H new ATOM 0 HA LYS A 38 0.374 31.435 -13.616 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.534 31.494 -13.171 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.784 29.927 -12.939 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.586 32.426 -11.660 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.886 31.548 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.621 29.489 -10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.573 30.121 -11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.292 31.742 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.231 30.874 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.252 29.805 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.451 28.797 -9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.633 29.886 -10.447 1.00 0.00 H new ATOM 607 N GLY A 39 -1.312 30.148 -16.150 1.00 0.00 N ATOM 608 CA GLY A 39 -1.206 29.093 -17.147 1.00 0.00 C ATOM 609 C GLY A 39 0.147 29.148 -17.831 1.00 0.00 C ATOM 610 O GLY A 39 0.694 28.101 -18.148 1.00 0.00 O ATOM 0 H GLY A 39 -2.033 30.846 -16.333 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.342 28.121 -16.673 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.999 29.201 -17.886 1.00 0.00 H new ATOM 614 N VAL A 40 0.701 30.343 -18.055 1.00 0.00 N ATOM 615 CA VAL A 40 2.009 30.446 -18.686 1.00 0.00 C ATOM 616 C VAL A 40 3.046 29.769 -17.781 1.00 0.00 C ATOM 617 O VAL A 40 3.847 28.969 -18.255 1.00 0.00 O ATOM 618 CB VAL A 40 2.364 31.915 -19.018 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.821 32.020 -19.464 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.486 32.510 -20.137 1.00 0.00 C ATOM 0 H VAL A 40 0.269 31.235 -17.812 1.00 0.00 H new ATOM 0 HA VAL A 40 2.001 29.928 -19.645 1.00 0.00 H new ATOM 0 HB VAL A 40 2.187 32.479 -18.102 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.057 33.059 -19.694 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.473 31.669 -18.664 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.975 31.407 -20.352 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.784 33.542 -20.323 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.612 31.926 -21.048 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.440 32.484 -19.831 1.00 0.00 H new ATOM 630 N ASP A 41 3.018 30.080 -16.482 1.00 0.00 N ATOM 631 CA ASP A 41 3.931 29.531 -15.479 1.00 0.00 C ATOM 632 C ASP A 41 3.785 28.013 -15.369 1.00 0.00 C ATOM 633 O ASP A 41 4.750 27.264 -15.495 1.00 0.00 O ATOM 634 CB ASP A 41 3.696 30.226 -14.121 1.00 0.00 C ATOM 635 CG ASP A 41 4.221 29.438 -12.921 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.385 28.989 -12.983 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.442 29.312 -11.949 1.00 0.00 O ATOM 0 H ASP A 41 2.343 30.737 -16.091 1.00 0.00 H new ATOM 0 HA ASP A 41 4.956 29.728 -15.792 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.175 31.205 -14.138 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.627 30.396 -13.992 1.00 0.00 H new ATOM 642 N HIS A 42 2.565 27.555 -15.124 1.00 0.00 N ATOM 643 CA HIS A 42 2.268 26.143 -14.956 1.00 0.00 C ATOM 644 C HIS A 42 2.524 25.373 -16.240 1.00 0.00 C ATOM 645 O HIS A 42 2.967 24.228 -16.183 1.00 0.00 O ATOM 646 CB HIS A 42 0.878 25.939 -14.356 1.00 0.00 C ATOM 647 CG HIS A 42 0.895 26.287 -12.890 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.614 25.555 -11.957 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.294 27.288 -12.173 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.423 26.133 -10.760 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.624 27.203 -10.820 1.00 0.00 N ATOM 0 H HIS A 42 1.748 28.160 -15.036 1.00 0.00 H new ATOM 0 HA HIS A 42 2.957 25.717 -14.227 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.152 26.562 -14.878 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.563 24.904 -14.489 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.183 24.730 -12.145 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.350 28.043 -12.599 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.868 25.771 -9.845 1.00 0.00 H new ATOM 659 N LEU A 43 2.305 25.987 -17.408 1.00 0.00 N ATOM 660 CA LEU A 43 2.642 25.268 -18.620 1.00 0.00 C ATOM 661 C LEU A 43 4.167 25.196 -18.631 1.00 0.00 C ATOM 662 O LEU A 43 4.709 24.127 -18.879 1.00 0.00 O ATOM 663 CB LEU A 43 2.051 25.887 -19.896 1.00 0.00 C ATOM 664 CG LEU A 43 1.814 24.787 -20.947 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.440 24.128 -20.744 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.861 25.361 -22.364 1.00 0.00 C ATOM 0 H LEU A 43 1.919 26.923 -17.530 1.00 0.00 H new ATOM 0 HA LEU A 43 2.196 24.273 -18.619 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.112 26.391 -19.666 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.729 26.642 -20.293 1.00 0.00 H new ATOM 0 HG LEU A 43 2.606 24.049 -20.822 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.293 23.354 -21.497 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.394 23.681 -19.751 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.342 24.881 -20.840 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.691 24.562 -23.086 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.088 26.121 -22.474 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.838 25.809 -22.543 1.00 0.00 H new ATOM 678 N THR A 44 4.862 26.305 -18.320 1.00 0.00 N ATOM 679 CA THR A 44 6.326 26.315 -18.270 1.00 0.00 C ATOM 680 C THR A 44 6.848 25.151 -17.407 1.00 0.00 C ATOM 681 O THR A 44 7.852 24.521 -17.739 1.00 0.00 O ATOM 682 CB THR A 44 6.909 27.680 -17.862 1.00 0.00 C ATOM 683 OG1 THR A 44 6.534 28.653 -18.812 1.00 0.00 O ATOM 684 CG2 THR A 44 8.442 27.646 -17.843 1.00 0.00 C ATOM 0 H THR A 44 4.429 27.202 -18.101 1.00 0.00 H new ATOM 0 HA THR A 44 6.688 26.156 -19.286 1.00 0.00 H new ATOM 0 HB THR A 44 6.528 27.915 -16.868 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.583 28.866 -18.705 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.824 28.624 -17.551 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.780 26.896 -17.128 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.813 27.393 -18.836 1.00 0.00 H new ATOM 692 N ASN A 45 6.143 24.849 -16.311 1.00 0.00 N ATOM 693 CA ASN A 45 6.489 23.749 -15.409 1.00 0.00 C ATOM 694 C ASN A 45 6.342 22.424 -16.162 1.00 0.00 C ATOM 695 O ASN A 45 7.236 21.572 -16.129 1.00 0.00 O ATOM 696 CB ASN A 45 5.642 23.758 -14.127 1.00 0.00 C ATOM 697 CG ASN A 45 6.162 24.738 -13.076 1.00 0.00 C ATOM 698 OD1 ASN A 45 6.855 24.340 -12.143 1.00 0.00 O ATOM 699 ND2 ASN A 45 5.836 26.021 -13.217 1.00 0.00 N ATOM 0 H ASN A 45 5.311 25.365 -16.025 1.00 0.00 H new ATOM 0 HA ASN A 45 7.523 23.876 -15.089 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.613 24.016 -14.379 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.624 22.754 -13.703 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.164 26.708 -12.538 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.259 26.317 -14.004 1.00 0.00 H new ATOM 706 N ALA A 46 5.215 22.262 -16.868 1.00 0.00 N ATOM 707 CA ALA A 46 4.955 21.078 -17.670 1.00 0.00 C ATOM 708 C ALA A 46 6.151 20.847 -18.614 1.00 0.00 C ATOM 709 O ALA A 46 6.697 19.745 -18.683 1.00 0.00 O ATOM 710 CB ALA A 46 3.595 21.192 -18.380 1.00 0.00 C ATOM 0 H ALA A 46 4.464 22.952 -16.894 1.00 0.00 H new ATOM 0 HA ALA A 46 4.870 20.191 -17.043 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.419 20.296 -18.975 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.804 21.295 -17.637 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.597 22.066 -19.032 1.00 0.00 H new ATOM 716 N ILE A 47 6.598 21.899 -19.315 1.00 0.00 N ATOM 717 CA ILE A 47 7.755 21.814 -20.206 1.00 0.00 C ATOM 718 C ILE A 47 9.038 21.501 -19.433 1.00 0.00 C ATOM 719 O ILE A 47 9.926 20.835 -19.960 1.00 0.00 O ATOM 720 CB ILE A 47 7.946 23.088 -21.064 1.00 0.00 C ATOM 721 CG1 ILE A 47 6.831 23.319 -22.116 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.325 23.073 -21.745 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.548 23.891 -21.532 1.00 0.00 C ATOM 0 H ILE A 47 6.169 22.824 -19.278 1.00 0.00 H new ATOM 0 HA ILE A 47 7.547 20.990 -20.888 1.00 0.00 H new ATOM 0 HB ILE A 47 7.880 23.926 -20.370 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.204 23.996 -22.884 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.606 22.373 -22.607 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.444 23.975 -22.345 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.106 23.036 -20.985 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.404 22.197 -22.388 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.815 24.025 -22.327 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.151 23.205 -20.784 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.758 24.854 -21.066 1.00 0.00 H new ATOM 735 N ALA A 48 9.150 21.988 -18.200 1.00 0.00 N ATOM 736 CA ALA A 48 10.334 21.800 -17.372 1.00 0.00 C ATOM 737 C ALA A 48 10.535 20.333 -17.050 1.00 0.00 C ATOM 738 O ALA A 48 11.671 19.892 -16.891 1.00 0.00 O ATOM 739 CB ALA A 48 10.291 22.652 -16.101 1.00 0.00 C ATOM 0 H ALA A 48 8.414 22.529 -17.745 1.00 0.00 H new ATOM 0 HA ALA A 48 11.194 22.143 -17.948 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.194 22.478 -15.516 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.231 23.706 -16.371 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.417 22.379 -15.509 1.00 0.00 H new ATOM 745 N VAL A 49 9.433 19.581 -16.974 1.00 0.00 N ATOM 746 CA VAL A 49 9.504 18.162 -16.682 1.00 0.00 C ATOM 747 C VAL A 49 9.397 17.318 -17.952 1.00 0.00 C ATOM 748 O VAL A 49 9.771 16.147 -17.925 1.00 0.00 O ATOM 749 CB VAL A 49 8.456 17.804 -15.627 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.661 18.706 -14.406 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.003 17.906 -16.098 1.00 0.00 C ATOM 0 H VAL A 49 8.487 19.938 -17.112 1.00 0.00 H new ATOM 0 HA VAL A 49 10.483 17.928 -16.265 1.00 0.00 H new ATOM 0 HB VAL A 49 8.610 16.751 -15.390 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.920 18.462 -13.645 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.661 18.550 -14.002 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.548 19.749 -14.701 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.336 17.633 -15.281 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.793 18.929 -16.412 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.844 17.229 -16.938 1.00 0.00 H new ATOM 761 N CYS A 50 8.913 17.893 -19.061 1.00 0.00 N ATOM 762 CA CYS A 50 8.795 17.162 -20.322 1.00 0.00 C ATOM 763 C CYS A 50 10.076 17.258 -21.161 1.00 0.00 C ATOM 764 O CYS A 50 10.566 16.247 -21.657 1.00 0.00 O ATOM 765 CB CYS A 50 7.559 17.650 -21.076 1.00 0.00 C ATOM 766 SG CYS A 50 7.535 17.007 -22.767 1.00 0.00 S ATOM 0 H CYS A 50 8.598 18.862 -19.107 1.00 0.00 H new ATOM 0 HA CYS A 50 8.667 16.101 -20.108 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.659 17.333 -20.550 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.548 18.740 -21.097 1.00 0.00 H new ATOM 0 HG CYS A 50 6.473 17.438 -23.380 1.00 0.00 H new ATOM 772 N GLY A 51 10.621 18.467 -21.326 1.00 0.00 N ATOM 773 CA GLY A 51 11.834 18.716 -22.097 1.00 0.00 C ATOM 774 C GLY A 51 11.604 18.647 -23.611 1.00 0.00 C ATOM 775 O GLY A 51 12.554 18.478 -24.372 1.00 0.00 O ATOM 0 H GLY A 51 10.221 19.312 -20.919 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.227 19.699 -21.839 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.593 17.986 -21.816 1.00 0.00 H new ATOM 779 N GLN A 52 10.349 18.782 -24.049 1.00 0.00 N ATOM 780 CA GLN A 52 9.937 18.743 -25.446 1.00 0.00 C ATOM 781 C GLN A 52 8.766 19.713 -25.579 1.00 0.00 C ATOM 782 O GLN A 52 7.633 19.277 -25.800 1.00 0.00 O ATOM 783 CB GLN A 52 9.612 17.285 -25.824 1.00 0.00 C ATOM 784 CG GLN A 52 9.886 17.017 -27.308 1.00 0.00 C ATOM 785 CD GLN A 52 11.379 16.885 -27.603 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.996 15.882 -27.256 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.970 17.886 -28.255 1.00 0.00 N ATOM 0 H GLN A 52 9.566 18.927 -23.412 1.00 0.00 H new ATOM 0 HA GLN A 52 10.712 19.059 -26.144 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.210 16.608 -25.214 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.566 17.075 -25.602 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.375 16.103 -27.611 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.469 17.828 -27.905 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.429 18.706 -28.529 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.963 17.832 -28.480 1.00 0.00 H new ATOM 796 N PRO A 53 9.011 21.034 -25.437 1.00 0.00 N ATOM 797 CA PRO A 53 7.959 22.028 -25.530 1.00 0.00 C ATOM 798 C PRO A 53 7.124 21.869 -26.789 1.00 0.00 C ATOM 799 O PRO A 53 5.922 21.672 -26.712 1.00 0.00 O ATOM 800 CB PRO A 53 8.648 23.402 -25.503 1.00 0.00 C ATOM 801 CG PRO A 53 10.120 23.103 -25.782 1.00 0.00 C ATOM 802 CD PRO A 53 10.282 21.712 -25.179 1.00 0.00 C ATOM 0 HA PRO A 53 7.264 21.912 -24.698 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.230 24.070 -26.256 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.519 23.891 -24.537 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.343 23.113 -26.849 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.780 23.831 -25.311 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.114 21.178 -25.638 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.489 21.767 -24.110 1.00 0.00 H new ATOM 810 N GLN A 54 7.785 21.978 -27.935 1.00 0.00 N ATOM 811 CA GLN A 54 7.180 21.934 -29.257 1.00 0.00 C ATOM 812 C GLN A 54 6.363 20.668 -29.502 1.00 0.00 C ATOM 813 O GLN A 54 5.271 20.760 -30.062 1.00 0.00 O ATOM 814 CB GLN A 54 8.249 22.169 -30.338 1.00 0.00 C ATOM 815 CG GLN A 54 9.050 23.479 -30.158 1.00 0.00 C ATOM 816 CD GLN A 54 9.960 23.760 -31.354 1.00 0.00 C ATOM 817 OE1 GLN A 54 10.267 22.866 -32.137 1.00 0.00 O ATOM 818 NE2 GLN A 54 10.402 25.011 -31.501 1.00 0.00 N ATOM 0 H GLN A 54 8.797 22.104 -27.968 1.00 0.00 H new ATOM 0 HA GLN A 54 6.456 22.747 -29.314 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.943 21.328 -30.337 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.766 22.182 -31.315 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.359 24.311 -30.024 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.652 23.415 -29.251 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.128 25.731 -30.832 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.014 25.247 -32.282 1.00 0.00 H new ATOM 827 N GLN A 55 6.857 19.500 -29.074 1.00 0.00 N ATOM 828 CA GLN A 55 6.098 18.266 -29.251 1.00 0.00 C ATOM 829 C GLN A 55 4.762 18.410 -28.533 1.00 0.00 C ATOM 830 O GLN A 55 3.707 18.142 -29.112 1.00 0.00 O ATOM 831 CB GLN A 55 6.888 17.034 -28.788 1.00 0.00 C ATOM 832 CG GLN A 55 6.204 15.709 -29.163 1.00 0.00 C ATOM 833 CD GLN A 55 6.201 15.440 -30.669 1.00 0.00 C ATOM 834 OE1 GLN A 55 7.028 15.964 -31.410 1.00 0.00 O ATOM 835 NE2 GLN A 55 5.274 14.602 -31.134 1.00 0.00 N ATOM 0 H GLN A 55 7.760 19.388 -28.613 1.00 0.00 H new ATOM 0 HA GLN A 55 5.911 18.103 -30.312 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.884 17.060 -29.230 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.017 17.077 -27.707 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.711 14.889 -28.655 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.176 15.722 -28.800 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.600 14.182 -30.494 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.239 14.381 -32.129 1.00 0.00 H new ATOM 844 N LEU A 56 4.812 18.870 -27.281 1.00 0.00 N ATOM 845 CA LEU A 56 3.609 19.105 -26.524 1.00 0.00 C ATOM 846 C LEU A 56 2.793 20.201 -27.202 1.00 0.00 C ATOM 847 O LEU A 56 1.587 20.084 -27.270 1.00 0.00 O ATOM 848 CB LEU A 56 3.904 19.454 -25.053 1.00 0.00 C ATOM 849 CG LEU A 56 2.616 19.704 -24.244 1.00 0.00 C ATOM 850 CD1 LEU A 56 1.815 18.411 -24.012 1.00 0.00 C ATOM 851 CD2 LEU A 56 2.982 20.397 -22.928 1.00 0.00 C ATOM 0 H LEU A 56 5.676 19.083 -26.783 1.00 0.00 H new ATOM 0 HA LEU A 56 3.029 18.182 -26.506 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.467 18.641 -24.594 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.535 20.342 -25.012 1.00 0.00 H new ATOM 0 HG LEU A 56 1.959 20.356 -24.819 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.917 18.638 -23.438 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.533 17.981 -24.973 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.427 17.698 -23.461 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.077 20.578 -22.348 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.657 19.760 -22.357 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.473 21.347 -23.141 1.00 0.00 H new ATOM 863 N LEU A 57 3.394 21.274 -27.712 1.00 0.00 N ATOM 864 CA LEU A 57 2.627 22.344 -28.341 1.00 0.00 C ATOM 865 C LEU A 57 1.816 21.832 -29.521 1.00 0.00 C ATOM 866 O LEU A 57 0.679 22.259 -29.697 1.00 0.00 O ATOM 867 CB LEU A 57 3.474 23.574 -28.701 1.00 0.00 C ATOM 868 CG LEU A 57 4.099 24.329 -27.509 1.00 0.00 C ATOM 869 CD1 LEU A 57 4.881 25.532 -28.043 1.00 0.00 C ATOM 870 CD2 LEU A 57 3.033 24.815 -26.506 1.00 0.00 C ATOM 0 H LEU A 57 4.403 21.424 -27.702 1.00 0.00 H new ATOM 0 HA LEU A 57 1.921 22.694 -27.588 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.276 23.257 -29.367 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.850 24.270 -29.261 1.00 0.00 H new ATOM 0 HG LEU A 57 4.758 23.641 -26.979 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.328 26.074 -27.210 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.667 25.186 -28.714 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.205 26.193 -28.586 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.519 25.341 -25.684 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.341 25.490 -27.009 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.484 23.958 -26.115 1.00 0.00 H new ATOM 882 N GLN A 58 2.358 20.905 -30.310 1.00 0.00 N ATOM 883 CA GLN A 58 1.600 20.342 -31.414 1.00 0.00 C ATOM 884 C GLN A 58 0.440 19.518 -30.844 1.00 0.00 C ATOM 885 O GLN A 58 -0.690 19.612 -31.323 1.00 0.00 O ATOM 886 CB GLN A 58 2.521 19.500 -32.306 1.00 0.00 C ATOM 887 CG GLN A 58 3.559 20.375 -33.022 1.00 0.00 C ATOM 888 CD GLN A 58 4.627 19.527 -33.709 1.00 0.00 C ATOM 889 OE1 GLN A 58 5.527 19.012 -33.053 1.00 0.00 O ATOM 890 NE2 GLN A 58 4.542 19.379 -35.031 1.00 0.00 N ATOM 0 H GLN A 58 3.303 20.536 -30.204 1.00 0.00 H new ATOM 0 HA GLN A 58 1.186 21.134 -32.038 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.030 18.750 -31.701 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.925 18.963 -33.044 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.060 21.002 -33.761 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.031 21.044 -32.302 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.780 19.821 -35.546 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.239 18.824 -35.528 1.00 0.00 H new ATOM 899 N VAL A 59 0.723 18.722 -29.808 1.00 0.00 N ATOM 900 CA VAL A 59 -0.263 17.869 -29.160 1.00 0.00 C ATOM 901 C VAL A 59 -1.377 18.649 -28.465 1.00 0.00 C ATOM 902 O VAL A 59 -2.520 18.203 -28.397 1.00 0.00 O ATOM 903 CB VAL A 59 0.434 16.917 -28.157 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.261 17.278 -26.667 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.126 15.528 -28.283 1.00 0.00 C ATOM 0 H VAL A 59 1.654 18.655 -29.396 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.741 17.290 -29.950 1.00 0.00 H new ATOM 0 HB VAL A 59 1.488 17.002 -28.421 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.788 16.548 -26.052 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.671 18.271 -26.483 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.799 17.270 -26.411 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.373 14.869 -27.572 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.195 15.546 -28.072 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.038 15.160 -29.296 1.00 0.00 H new ATOM 915 N LEU A 60 -1.013 19.800 -27.915 1.00 0.00 N ATOM 916 CA LEU A 60 -1.843 20.684 -27.151 1.00 0.00 C ATOM 917 C LEU A 60 -2.613 21.572 -28.129 1.00 0.00 C ATOM 918 O LEU A 60 -3.748 21.937 -27.852 1.00 0.00 O ATOM 919 CB LEU A 60 -0.899 21.355 -26.154 1.00 0.00 C ATOM 920 CG LEU A 60 -1.376 22.598 -25.448 1.00 0.00 C ATOM 921 CD1 LEU A 60 -2.775 22.490 -24.808 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.400 22.809 -24.301 1.00 0.00 C ATOM 0 H LEU A 60 -0.060 20.153 -28.005 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.634 20.224 -26.558 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.640 20.619 -25.393 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.021 21.605 -26.683 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.430 23.396 -26.188 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.028 23.434 -24.325 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.512 22.268 -25.580 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.775 21.691 -24.066 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.685 23.699 -23.740 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.421 21.942 -23.641 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.607 22.937 -24.699 1.00 0.00 H new ATOM 934 N GLN A 61 -2.033 21.908 -29.289 1.00 0.00 N ATOM 935 CA GLN A 61 -2.706 22.771 -30.251 1.00 0.00 C ATOM 936 C GLN A 61 -3.765 21.992 -31.015 1.00 0.00 C ATOM 937 O GLN A 61 -4.848 22.512 -31.273 1.00 0.00 O ATOM 938 CB GLN A 61 -1.687 23.443 -31.193 1.00 0.00 C ATOM 939 CG GLN A 61 -2.313 24.312 -32.300 1.00 0.00 C ATOM 940 CD GLN A 61 -1.269 25.218 -32.945 1.00 0.00 C ATOM 941 OE1 GLN A 61 -0.917 25.039 -34.107 1.00 0.00 O ATOM 942 NE2 GLN A 61 -0.764 26.200 -32.195 1.00 0.00 N ATOM 0 H GLN A 61 -1.106 21.595 -29.577 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.215 23.569 -29.710 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.016 24.063 -30.598 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.077 22.669 -31.658 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.762 23.671 -33.059 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.115 24.919 -31.880 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.079 26.320 -31.232 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.063 26.830 -32.584 1.00 0.00 H new ATOM 951 N GLN A 62 -3.446 20.745 -31.375 1.00 0.00 N ATOM 952 CA GLN A 62 -4.356 19.896 -32.121 1.00 0.00 C ATOM 953 C GLN A 62 -5.590 19.551 -31.285 1.00 0.00 C ATOM 954 O GLN A 62 -6.693 19.494 -31.823 1.00 0.00 O ATOM 955 CB GLN A 62 -3.606 18.672 -32.662 1.00 0.00 C ATOM 956 CG GLN A 62 -3.397 17.560 -31.629 1.00 0.00 C ATOM 957 CD GLN A 62 -2.535 16.411 -32.143 1.00 0.00 C ATOM 958 OE1 GLN A 62 -2.077 16.418 -33.282 1.00 0.00 O ATOM 959 NE2 GLN A 62 -2.311 15.408 -31.294 1.00 0.00 N ATOM 0 H GLN A 62 -2.552 20.305 -31.155 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.736 20.434 -32.990 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.158 18.267 -33.510 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.634 18.992 -33.038 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.932 17.984 -30.739 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.368 17.169 -31.326 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.708 15.436 -30.355 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.743 14.612 -31.583 1.00 0.00 H new ATOM 968 N THR A 63 -5.410 19.334 -29.974 1.00 0.00 N ATOM 969 CA THR A 63 -6.516 19.010 -29.086 1.00 0.00 C ATOM 970 C THR A 63 -7.286 20.259 -28.664 1.00 0.00 C ATOM 971 O THR A 63 -8.491 20.172 -28.438 1.00 0.00 O ATOM 972 CB THR A 63 -6.061 18.158 -27.892 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.189 17.583 -27.262 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.293 18.964 -26.851 1.00 0.00 C ATOM 0 H THR A 63 -4.502 19.379 -29.512 1.00 0.00 H new ATOM 0 HA THR A 63 -7.217 18.393 -29.649 1.00 0.00 H new ATOM 0 HB THR A 63 -5.394 17.393 -28.289 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.897 17.039 -26.501 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.997 18.310 -26.031 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.404 19.397 -27.309 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.928 19.762 -26.467 1.00 0.00 H new ATOM 982 N LEU A 64 -6.599 21.402 -28.534 1.00 0.00 N ATOM 983 CA LEU A 64 -7.220 22.647 -28.088 1.00 0.00 C ATOM 984 C LEU A 64 -6.275 23.836 -28.317 1.00 0.00 C ATOM 985 O LEU A 64 -5.373 24.019 -27.507 1.00 0.00 O ATOM 986 CB LEU A 64 -7.515 22.499 -26.583 1.00 0.00 C ATOM 987 CG LEU A 64 -8.112 23.737 -25.893 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.538 24.033 -26.371 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.121 23.467 -24.385 1.00 0.00 C ATOM 0 H LEU A 64 -5.602 21.485 -28.735 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.134 22.835 -28.651 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.202 21.664 -26.447 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.588 22.235 -26.075 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.506 24.609 -26.141 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.918 24.915 -25.857 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.531 24.214 -27.446 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.180 23.180 -26.151 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.540 24.328 -23.864 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.728 22.586 -24.177 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.101 23.295 -24.040 1.00 0.00 H new ATOM 1001 N PRO A 65 -6.442 24.668 -29.362 1.00 0.00 N ATOM 1002 CA PRO A 65 -5.563 25.813 -29.608 1.00 0.00 C ATOM 1003 C PRO A 65 -5.619 26.790 -28.423 1.00 0.00 C ATOM 1004 O PRO A 65 -6.631 27.471 -28.261 1.00 0.00 O ATOM 1005 CB PRO A 65 -6.055 26.438 -30.919 1.00 0.00 C ATOM 1006 CG PRO A 65 -7.505 25.973 -31.032 1.00 0.00 C ATOM 1007 CD PRO A 65 -7.479 24.594 -30.377 1.00 0.00 C ATOM 0 HA PRO A 65 -4.515 25.527 -29.700 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.986 27.525 -30.893 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.461 26.101 -31.769 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.187 26.651 -30.518 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.831 25.920 -32.071 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.445 24.351 -29.935 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.258 23.816 -31.108 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.576 26.877 -27.573 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.576 27.749 -26.410 1.00 0.00 C ATOM 1017 C PRO A 66 -4.163 29.173 -26.792 1.00 0.00 C ATOM 1018 O PRO A 66 -3.044 29.358 -27.260 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.599 27.115 -25.407 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.970 25.927 -26.136 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.316 26.150 -27.604 1.00 0.00 C ATOM 0 HA PRO A 66 -5.571 27.839 -25.974 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.838 27.831 -25.096 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.119 26.791 -24.506 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.891 25.894 -25.983 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.372 24.981 -25.773 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.540 26.722 -28.113 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.416 25.204 -28.137 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.000 30.205 -26.582 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.597 31.578 -26.868 1.00 0.00 C ATOM 1031 C PRO A 67 -3.439 31.941 -25.929 1.00 0.00 C ATOM 1032 O PRO A 67 -2.552 32.713 -26.280 1.00 0.00 O ATOM 1033 CB PRO A 67 -5.846 32.433 -26.634 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.665 31.614 -25.636 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.338 30.167 -26.012 1.00 0.00 C ATOM 0 HA PRO A 67 -4.240 31.733 -27.886 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.590 33.414 -26.233 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.395 32.601 -27.560 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.382 31.835 -24.607 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.731 31.821 -25.725 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.374 29.517 -25.138 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.059 29.776 -26.730 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.448 31.333 -24.739 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.442 31.459 -23.702 1.00 0.00 C ATOM 1045 C VAL A 68 -1.089 31.060 -24.262 1.00 0.00 C ATOM 1046 O VAL A 68 -0.112 31.748 -24.001 1.00 0.00 O ATOM 1047 CB VAL A 68 -2.802 30.585 -22.491 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.572 30.372 -21.604 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -3.918 31.289 -21.718 1.00 0.00 C ATOM 0 H VAL A 68 -4.205 30.706 -24.467 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.401 32.496 -23.368 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.142 29.602 -22.818 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.842 29.751 -20.750 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.790 29.877 -22.179 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.207 31.336 -21.250 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.194 30.689 -20.851 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.570 32.267 -21.387 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.786 31.413 -22.365 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.032 29.964 -25.025 1.00 0.00 N ATOM 1060 CA PHE A 69 0.213 29.505 -25.641 1.00 0.00 C ATOM 1061 C PHE A 69 0.913 30.671 -26.348 1.00 0.00 C ATOM 1062 O PHE A 69 2.121 30.840 -26.210 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.016 28.282 -26.552 1.00 0.00 C ATOM 1064 CG PHE A 69 0.550 28.379 -27.959 1.00 0.00 C ATOM 1065 CD1 PHE A 69 1.914 28.121 -28.188 1.00 0.00 C ATOM 1066 CD2 PHE A 69 -0.283 28.729 -29.038 1.00 0.00 C ATOM 1067 CE1 PHE A 69 2.435 28.214 -29.491 1.00 0.00 C ATOM 1068 CE2 PHE A 69 0.240 28.823 -30.338 1.00 0.00 C ATOM 1069 CZ PHE A 69 1.600 28.564 -30.566 1.00 0.00 C ATOM 0 H PHE A 69 -1.840 29.376 -25.231 1.00 0.00 H new ATOM 0 HA PHE A 69 0.886 29.156 -24.858 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.418 27.408 -26.067 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.089 28.106 -26.626 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.560 27.852 -27.365 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.331 28.926 -28.865 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.482 28.015 -29.666 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.404 29.094 -31.161 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.004 28.633 -31.565 1.00 0.00 H new ATOM 1079 N GLN A 70 0.148 31.487 -27.078 1.00 0.00 N ATOM 1080 CA GLN A 70 0.698 32.641 -27.794 1.00 0.00 C ATOM 1081 C GLN A 70 1.307 33.662 -26.824 1.00 0.00 C ATOM 1082 O GLN A 70 2.298 34.319 -27.143 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.367 33.266 -28.714 1.00 0.00 C ATOM 1084 CG GLN A 70 0.174 34.380 -29.626 1.00 0.00 C ATOM 1085 CD GLN A 70 -0.162 35.780 -29.113 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -1.183 36.351 -29.488 1.00 0.00 O ATOM 1087 NE2 GLN A 70 0.693 36.353 -28.267 1.00 0.00 N ATOM 0 H GLN A 70 -0.859 31.369 -27.189 1.00 0.00 H new ATOM 0 HA GLN A 70 1.513 32.296 -28.430 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -0.803 32.482 -29.334 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.171 33.671 -28.100 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.256 34.279 -29.712 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.238 34.256 -30.627 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.533 35.853 -27.974 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.508 37.291 -27.912 1.00 0.00 H new ATOM 1096 N MET A 71 0.715 33.787 -25.634 1.00 0.00 N ATOM 1097 CA MET A 71 1.136 34.681 -24.571 1.00 0.00 C ATOM 1098 C MET A 71 2.292 34.052 -23.797 1.00 0.00 C ATOM 1099 O MET A 71 3.122 34.770 -23.256 1.00 0.00 O ATOM 1100 CB MET A 71 -0.051 35.059 -23.669 1.00 0.00 C ATOM 1101 CG MET A 71 -1.281 35.553 -24.454 1.00 0.00 C ATOM 1102 SD MET A 71 -2.400 36.652 -23.544 1.00 0.00 S ATOM 1103 CE MET A 71 -2.960 35.531 -22.244 1.00 0.00 C ATOM 0 H MET A 71 -0.108 33.240 -25.381 1.00 0.00 H new ATOM 0 HA MET A 71 1.499 35.614 -25.002 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.334 34.193 -23.071 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.264 35.837 -22.973 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.935 36.074 -25.347 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.847 34.685 -24.791 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.660 36.052 -21.591 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.455 34.671 -22.694 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.103 35.193 -21.661 1.00 0.00 H new ATOM 1113 N LEU A 72 2.397 32.720 -23.767 1.00 0.00 N ATOM 1114 CA LEU A 72 3.502 32.024 -23.144 1.00 0.00 C ATOM 1115 C LEU A 72 4.728 32.376 -23.977 1.00 0.00 C ATOM 1116 O LEU A 72 5.782 32.708 -23.439 1.00 0.00 O ATOM 1117 CB LEU A 72 3.199 30.514 -23.047 1.00 0.00 C ATOM 1118 CG LEU A 72 4.405 29.580 -23.190 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.339 29.647 -21.976 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.903 28.141 -23.334 1.00 0.00 C ATOM 0 H LEU A 72 1.704 32.097 -24.182 1.00 0.00 H new ATOM 0 HA LEU A 72 3.677 32.325 -22.111 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.725 30.319 -22.085 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.472 30.258 -23.818 1.00 0.00 H new ATOM 0 HG LEU A 72 4.967 29.898 -24.068 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.178 28.968 -22.125 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.712 30.665 -21.860 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.792 29.357 -21.079 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.754 27.467 -23.437 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.327 27.866 -22.450 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.270 28.063 -24.218 1.00 0.00 H new ATOM 1132 N LEU A 73 4.570 32.329 -25.303 1.00 0.00 N ATOM 1133 CA LEU A 73 5.673 32.656 -26.196 1.00 0.00 C ATOM 1134 C LEU A 73 6.132 34.099 -26.069 1.00 0.00 C ATOM 1135 O LEU A 73 7.293 34.398 -26.339 1.00 0.00 O ATOM 1136 CB LEU A 73 5.335 32.411 -27.666 1.00 0.00 C ATOM 1137 CG LEU A 73 4.868 31.011 -28.082 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.781 31.064 -29.602 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.764 29.870 -27.592 1.00 0.00 C ATOM 0 H LEU A 73 3.701 32.071 -25.771 1.00 0.00 H new ATOM 0 HA LEU A 73 6.474 31.987 -25.882 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.557 33.119 -27.950 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.219 32.655 -28.255 1.00 0.00 H new ATOM 0 HG LEU A 73 3.911 30.778 -27.615 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.452 30.097 -29.982 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.067 31.832 -29.899 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.762 31.301 -30.015 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.358 28.917 -27.932 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.770 30.000 -27.992 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.803 29.880 -26.503 1.00 0.00 H new ATOM 1151 N THR A 74 5.220 34.981 -25.670 1.00 0.00 N ATOM 1152 CA THR A 74 5.503 36.394 -25.498 1.00 0.00 C ATOM 1153 C THR A 74 5.988 36.669 -24.073 1.00 0.00 C ATOM 1154 O THR A 74 6.694 37.651 -23.853 1.00 0.00 O ATOM 1155 CB THR A 74 4.355 37.274 -26.020 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.867 38.416 -26.680 1.00 0.00 O ATOM 1157 CG2 THR A 74 3.438 37.757 -24.908 1.00 0.00 C ATOM 0 H THR A 74 4.255 34.728 -25.456 1.00 0.00 H new ATOM 0 HA THR A 74 6.339 36.691 -26.131 1.00 0.00 H new ATOM 0 HB THR A 74 3.783 36.648 -26.705 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.124 38.965 -27.008 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.646 38.374 -25.332 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.998 36.899 -24.401 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.012 38.346 -24.193 1.00 0.00 H new ATOM 1165 N LYS A 75 5.634 35.808 -23.106 1.00 0.00 N ATOM 1166 CA LYS A 75 6.060 35.979 -21.724 1.00 0.00 C ATOM 1167 C LYS A 75 7.509 35.535 -21.534 1.00 0.00 C ATOM 1168 O LYS A 75 8.223 36.135 -20.732 1.00 0.00 O ATOM 1169 CB LYS A 75 5.131 35.169 -20.821 1.00 0.00 C ATOM 1170 CG LYS A 75 3.885 35.945 -20.362 1.00 0.00 C ATOM 1171 CD LYS A 75 4.117 36.917 -19.195 1.00 0.00 C ATOM 1172 CE LYS A 75 4.561 36.219 -17.901 1.00 0.00 C ATOM 1173 NZ LYS A 75 4.590 37.155 -16.761 1.00 0.00 N ATOM 0 H LYS A 75 5.051 34.986 -23.265 1.00 0.00 H new ATOM 0 HA LYS A 75 6.006 37.035 -21.461 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.814 34.271 -21.352 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.687 34.840 -19.943 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.493 36.507 -21.210 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.117 35.229 -20.071 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.874 37.646 -19.484 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.197 37.470 -19.004 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.882 35.396 -17.679 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.551 35.786 -18.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.235 36.792 -16.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.921 38.086 -17.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.634 37.247 -16.363 1.00 0.00 H new ATOM 1588 N LEU B 7 -4.890 12.958 -25.576 1.00 0.00 N ATOM 1589 CA LEU B 7 -3.551 12.769 -26.106 1.00 0.00 C ATOM 1590 C LEU B 7 -2.630 12.185 -25.048 1.00 0.00 C ATOM 1591 O LEU B 7 -1.856 11.299 -25.370 1.00 0.00 O ATOM 1592 CB LEU B 7 -2.968 14.031 -26.788 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.700 15.349 -26.021 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.888 15.970 -25.306 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.486 15.317 -25.086 1.00 0.00 C ATOM 0 HA LEU B 7 -3.630 12.040 -26.913 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.019 13.733 -27.234 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.641 14.280 -27.608 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.468 16.010 -26.856 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.574 16.887 -24.807 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.669 16.201 -26.031 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.275 15.269 -24.567 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.380 16.284 -24.594 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.626 14.541 -24.334 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.587 15.104 -25.664 1.00 0.00 H new ATOM 1607 N LEU B 8 -2.690 12.664 -23.802 1.00 0.00 N ATOM 1608 CA LEU B 8 -1.785 12.246 -22.739 1.00 0.00 C ATOM 1609 C LEU B 8 -1.779 10.745 -22.440 1.00 0.00 C ATOM 1610 O LEU B 8 -0.835 10.259 -21.824 1.00 0.00 O ATOM 1611 CB LEU B 8 -1.901 13.134 -21.494 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.480 14.627 -21.608 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.106 14.871 -22.273 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.615 15.544 -22.095 1.00 0.00 C ATOM 0 H LEU B 8 -3.376 13.358 -23.505 1.00 0.00 H new ATOM 0 HA LEU B 8 -0.785 12.412 -23.140 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.939 13.106 -21.162 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.302 12.679 -20.705 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.297 14.941 -20.580 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.097 15.941 -22.306 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.672 14.372 -21.695 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.117 14.472 -23.287 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -2.254 16.571 -22.152 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.946 15.220 -23.082 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.450 15.491 -21.397 1.00 0.00 H new