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 55 GLN : amide:sc= -0.168 K(o=-1.2,f=-0.17) USER MOD Set 1.2: A 58 GLN : amide:sc= -1.04 K(o=-1.2,f=-0.17) USER MOD Single : A 17 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.1!) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0.909 (180deg=0.292) 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 38 LYS NZ :NH3+ 137:sc= 1.31 (180deg=0.732) USER MOD Single : A 42 HIS : no HD1:sc= -4.39! K(o=-4.4!,f=-6) USER MOD Single : A 44 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 45 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0358 USER MOD Single : A 52 GLN : amide:sc= -0.057 X(o=-0.057,f=-0.0087) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 61 GLN : amide:sc= -0.0768 K(o=-0.077,f=-0.88) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.61 K(o=0.61,f=-0.071) USER MOD Single : A 71 MET CE :methyl -178:sc= -0.202 (180deg=-0.211) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= 1.15 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.790 7.246 -14.998 1.00 0.00 N ATOM 205 CA GLU A 14 5.387 7.141 -14.619 1.00 0.00 C ATOM 206 C GLU A 14 5.021 8.340 -13.740 1.00 0.00 C ATOM 207 O GLU A 14 3.999 8.982 -13.955 1.00 0.00 O ATOM 208 CB GLU A 14 5.131 5.791 -13.915 1.00 0.00 C ATOM 209 CG GLU A 14 3.648 5.388 -13.824 1.00 0.00 C ATOM 210 CD GLU A 14 2.855 6.019 -12.680 1.00 0.00 C ATOM 211 OE1 GLU A 14 3.460 6.668 -11.799 1.00 0.00 O ATOM 212 OE2 GLU A 14 1.617 5.832 -12.679 1.00 0.00 O ATOM 0 HA GLU A 14 4.747 7.163 -15.501 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.674 5.010 -14.447 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.544 5.837 -12.907 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.162 5.648 -14.764 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.591 4.304 -13.725 1.00 0.00 H new ATOM 219 N ALA A 15 5.874 8.642 -12.757 1.00 0.00 N ATOM 220 CA ALA A 15 5.672 9.736 -11.813 1.00 0.00 C ATOM 221 C ALA A 15 5.754 11.087 -12.508 1.00 0.00 C ATOM 222 O ALA A 15 5.002 12.007 -12.188 1.00 0.00 O ATOM 223 CB ALA A 15 6.719 9.683 -10.698 1.00 0.00 C ATOM 0 H ALA A 15 6.737 8.123 -12.595 1.00 0.00 H new ATOM 0 HA ALA A 15 4.676 9.618 -11.387 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.553 10.506 -10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.635 8.736 -10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.716 9.769 -11.131 1.00 0.00 H new ATOM 229 N VAL A 16 6.681 11.197 -13.460 1.00 0.00 N ATOM 230 CA VAL A 16 6.882 12.425 -14.217 1.00 0.00 C ATOM 231 C VAL A 16 5.671 12.606 -15.121 1.00 0.00 C ATOM 232 O VAL A 16 5.215 13.730 -15.295 1.00 0.00 O ATOM 233 CB VAL A 16 8.237 12.431 -14.957 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.207 12.942 -16.398 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.321 13.123 -14.142 1.00 0.00 C ATOM 0 H VAL A 16 7.310 10.439 -13.725 1.00 0.00 H new ATOM 0 HA VAL A 16 6.949 13.288 -13.554 1.00 0.00 H new ATOM 0 HB VAL A 16 8.486 11.374 -15.054 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.211 12.902 -16.819 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.539 12.318 -16.992 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.849 13.971 -16.412 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.259 13.107 -14.696 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.030 14.156 -13.952 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.451 12.602 -13.193 1.00 0.00 H new ATOM 245 N GLN A 17 5.133 11.510 -15.672 1.00 0.00 N ATOM 246 CA GLN A 17 3.956 11.593 -16.526 1.00 0.00 C ATOM 247 C GLN A 17 2.762 12.008 -15.678 1.00 0.00 C ATOM 248 O GLN A 17 1.971 12.842 -16.112 1.00 0.00 O ATOM 249 CB GLN A 17 3.694 10.287 -17.301 1.00 0.00 C ATOM 250 CG GLN A 17 2.461 10.323 -18.227 1.00 0.00 C ATOM 251 CD GLN A 17 2.572 11.280 -19.419 1.00 0.00 C ATOM 252 OE1 GLN A 17 3.582 11.954 -19.605 1.00 0.00 O ATOM 253 NE2 GLN A 17 1.530 11.339 -20.249 1.00 0.00 N ATOM 0 H GLN A 17 5.495 10.566 -15.539 1.00 0.00 H new ATOM 0 HA GLN A 17 4.131 12.349 -17.292 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.574 10.053 -17.900 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.570 9.474 -16.585 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.280 9.317 -18.604 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.590 10.603 -17.635 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.703 10.768 -20.071 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.560 11.955 -21.062 1.00 0.00 H new ATOM 262 N LYS A 18 2.637 11.436 -14.474 1.00 0.00 N ATOM 263 CA LYS A 18 1.528 11.746 -13.579 1.00 0.00 C ATOM 264 C LYS A 18 1.538 13.226 -13.204 1.00 0.00 C ATOM 265 O LYS A 18 0.539 13.914 -13.398 1.00 0.00 O ATOM 266 CB LYS A 18 1.555 10.830 -12.347 1.00 0.00 C ATOM 267 CG LYS A 18 1.368 9.352 -12.730 1.00 0.00 C ATOM 268 CD LYS A 18 0.049 8.751 -12.230 1.00 0.00 C ATOM 269 CE LYS A 18 0.110 8.362 -10.747 1.00 0.00 C ATOM 270 NZ LYS A 18 1.080 7.275 -10.503 1.00 0.00 N ATOM 0 H LYS A 18 3.297 10.753 -14.101 1.00 0.00 H new ATOM 0 HA LYS A 18 0.589 11.554 -14.099 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.503 10.953 -11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.768 11.129 -11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.412 9.258 -13.815 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.198 8.773 -12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.756 9.470 -12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.195 7.870 -12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.385 9.234 -10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.879 8.048 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.961 6.914 -9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.916 6.505 -11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.047 7.640 -10.620 1.00 0.00 H new ATOM 284 N PHE A 19 2.666 13.719 -12.686 1.00 0.00 N ATOM 285 CA PHE A 19 2.805 15.120 -12.312 1.00 0.00 C ATOM 286 C PHE A 19 2.643 16.031 -13.535 1.00 0.00 C ATOM 287 O PHE A 19 1.967 17.054 -13.454 1.00 0.00 O ATOM 288 CB PHE A 19 4.151 15.370 -11.602 1.00 0.00 C ATOM 289 CG PHE A 19 4.592 16.820 -11.693 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.300 17.237 -12.833 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.285 17.755 -10.686 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.686 18.575 -12.968 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.688 19.099 -10.824 1.00 0.00 C ATOM 294 CZ PHE A 19 5.391 19.506 -11.975 1.00 0.00 C ATOM 0 H PHE A 19 3.501 13.158 -12.517 1.00 0.00 H new ATOM 0 HA PHE A 19 2.009 15.364 -11.608 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.064 15.084 -10.554 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.916 14.732 -12.044 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.546 16.524 -13.606 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.740 17.442 -9.807 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.219 18.890 -13.853 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.458 19.815 -10.049 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.700 20.535 -12.087 1.00 0.00 H new ATOM 304 N PHE A 20 3.275 15.674 -14.662 1.00 0.00 N ATOM 305 CA PHE A 20 3.217 16.476 -15.881 1.00 0.00 C ATOM 306 C PHE A 20 1.748 16.677 -16.250 1.00 0.00 C ATOM 307 O PHE A 20 1.312 17.805 -16.464 1.00 0.00 O ATOM 308 CB PHE A 20 4.024 15.800 -16.994 1.00 0.00 C ATOM 309 CG PHE A 20 3.906 16.348 -18.397 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.268 17.678 -18.672 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.450 15.513 -19.435 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.181 18.168 -19.985 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.366 16.004 -20.747 1.00 0.00 C ATOM 314 CZ PHE A 20 3.735 17.330 -21.019 1.00 0.00 C ATOM 0 H PHE A 20 3.836 14.826 -14.749 1.00 0.00 H new ATOM 0 HA PHE A 20 3.668 17.457 -15.729 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.076 15.835 -16.711 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.736 14.749 -17.022 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.612 18.321 -17.876 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.165 14.494 -19.221 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.457 19.190 -20.199 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.019 15.364 -21.544 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.676 17.708 -22.029 1.00 0.00 H new ATOM 324 N LEU A 21 0.975 15.582 -16.281 1.00 0.00 N ATOM 325 CA LEU A 21 -0.451 15.632 -16.560 1.00 0.00 C ATOM 326 C LEU A 21 -1.186 16.424 -15.487 1.00 0.00 C ATOM 327 O LEU A 21 -2.083 17.201 -15.808 1.00 0.00 O ATOM 328 CB LEU A 21 -1.035 14.211 -16.675 1.00 0.00 C ATOM 329 CG LEU A 21 -1.374 13.736 -18.099 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.557 12.213 -18.042 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.638 14.461 -18.568 1.00 0.00 C ATOM 0 H LEU A 21 1.329 14.641 -16.112 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.589 16.139 -17.515 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.323 13.510 -16.239 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.941 14.162 -16.071 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.584 13.965 -18.814 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.799 11.838 -19.036 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.634 11.748 -17.694 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.367 11.969 -17.355 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.891 14.135 -19.577 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.462 14.229 -17.894 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.462 15.537 -18.568 1.00 0.00 H new ATOM 343 N GLU A 22 -0.805 16.257 -14.218 1.00 0.00 N ATOM 344 CA GLU A 22 -1.432 17.015 -13.150 1.00 0.00 C ATOM 345 C GLU A 22 -1.229 18.512 -13.406 1.00 0.00 C ATOM 346 O GLU A 22 -2.081 19.303 -13.021 1.00 0.00 O ATOM 347 CB GLU A 22 -0.898 16.591 -11.771 1.00 0.00 C ATOM 348 CG GLU A 22 -1.710 17.220 -10.630 1.00 0.00 C ATOM 349 CD GLU A 22 -1.288 16.667 -9.273 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.401 15.438 -9.090 1.00 0.00 O ATOM 351 OE2 GLU A 22 -0.858 17.487 -8.431 1.00 0.00 O ATOM 0 H GLU A 22 -0.076 15.612 -13.915 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.501 16.805 -13.143 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.932 15.505 -11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.147 16.886 -11.679 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.577 18.302 -10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.771 17.028 -10.788 1.00 0.00 H new ATOM 358 N GLU A 23 -0.126 18.905 -14.062 1.00 0.00 N ATOM 359 CA GLU A 23 0.181 20.290 -14.361 1.00 0.00 C ATOM 360 C GLU A 23 -0.674 20.704 -15.557 1.00 0.00 C ATOM 361 O GLU A 23 -1.427 21.667 -15.432 1.00 0.00 O ATOM 362 CB GLU A 23 1.697 20.481 -14.526 1.00 0.00 C ATOM 363 CG GLU A 23 2.107 21.934 -14.269 1.00 0.00 C ATOM 364 CD GLU A 23 3.548 22.015 -13.784 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.400 21.362 -14.422 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.766 22.715 -12.772 1.00 0.00 O ATOM 0 H GLU A 23 0.580 18.251 -14.399 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.076 20.961 -13.541 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.226 19.824 -13.835 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.995 20.190 -15.533 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.994 22.515 -15.184 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.444 22.377 -13.526 1.00 0.00 H new ATOM 373 N ILE A 24 -0.589 19.951 -16.672 1.00 0.00 N ATOM 374 CA ILE A 24 -1.389 20.113 -17.902 1.00 0.00 C ATOM 375 C ILE A 24 -2.829 20.489 -17.480 1.00 0.00 C ATOM 376 O ILE A 24 -3.377 21.514 -17.906 1.00 0.00 O ATOM 377 CB ILE A 24 -1.320 18.797 -18.761 1.00 0.00 C ATOM 378 CG1 ILE A 24 0.018 18.528 -19.516 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.499 18.497 -19.697 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.113 17.901 -20.926 1.00 0.00 C ATOM 0 H ILE A 24 0.071 19.176 -16.742 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.998 20.909 -18.536 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.389 18.090 -17.934 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.556 19.471 -19.608 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.632 17.869 -18.903 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.316 17.561 -20.225 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.415 18.410 -19.112 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.605 19.306 -20.420 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.879 17.759 -21.355 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.617 16.937 -20.850 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.694 18.565 -21.567 1.00 0.00 H new ATOM 392 N GLN A 25 -3.430 19.649 -16.623 1.00 0.00 N ATOM 393 CA GLN A 25 -4.801 19.814 -16.148 1.00 0.00 C ATOM 394 C GLN A 25 -4.982 20.932 -15.118 1.00 0.00 C ATOM 395 O GLN A 25 -5.926 21.708 -15.228 1.00 0.00 O ATOM 396 CB GLN A 25 -5.336 18.466 -15.626 1.00 0.00 C ATOM 397 CG GLN A 25 -5.292 17.302 -16.640 1.00 0.00 C ATOM 398 CD GLN A 25 -5.884 16.027 -16.047 1.00 0.00 C ATOM 399 OE1 GLN A 25 -5.156 15.101 -15.698 1.00 0.00 O ATOM 400 NE2 GLN A 25 -7.212 15.964 -15.944 1.00 0.00 N ATOM 0 H GLN A 25 -2.965 18.826 -16.239 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.393 20.135 -17.005 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.760 18.181 -14.746 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.367 18.604 -15.301 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.844 17.578 -17.538 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.261 17.120 -16.943 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.785 16.753 -16.244 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.655 15.127 -15.565 1.00 0.00 H new ATOM 409 N LEU A 26 -4.097 21.023 -14.125 1.00 0.00 N ATOM 410 CA LEU A 26 -4.149 22.053 -13.079 1.00 0.00 C ATOM 411 C LEU A 26 -4.199 23.437 -13.720 1.00 0.00 C ATOM 412 O LEU A 26 -5.105 24.221 -13.439 1.00 0.00 O ATOM 413 CB LEU A 26 -2.971 21.867 -12.103 1.00 0.00 C ATOM 414 CG LEU A 26 -2.652 22.918 -11.036 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.254 24.294 -11.568 1.00 0.00 C ATOM 416 CD2 LEU A 26 -3.802 23.026 -10.053 1.00 0.00 C ATOM 0 H LEU A 26 -3.314 20.378 -14.020 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.059 21.952 -12.487 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.135 20.924 -11.582 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.073 21.745 -12.708 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.756 22.556 -10.532 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.050 24.962 -10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.360 24.201 -12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.068 24.702 -12.168 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.566 23.776 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.708 23.318 -10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.959 22.062 -9.570 1.00 0.00 H new ATOM 428 N GLY A 27 -3.230 23.733 -14.592 1.00 0.00 N ATOM 429 CA GLY A 27 -3.184 25.004 -15.284 1.00 0.00 C ATOM 430 C GLY A 27 -4.432 25.161 -16.114 1.00 0.00 C ATOM 431 O GLY A 27 -5.176 26.098 -15.846 1.00 0.00 O ATOM 0 H GLY A 27 -2.467 23.099 -14.829 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.105 25.820 -14.566 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.301 25.053 -15.921 1.00 0.00 H new ATOM 435 N GLU A 28 -4.679 24.258 -17.081 1.00 0.00 N ATOM 436 CA GLU A 28 -5.909 24.345 -17.870 1.00 0.00 C ATOM 437 C GLU A 28 -7.134 24.732 -17.017 1.00 0.00 C ATOM 438 O GLU A 28 -7.901 25.608 -17.402 1.00 0.00 O ATOM 439 CB GLU A 28 -6.169 23.008 -18.560 1.00 0.00 C ATOM 440 CG GLU A 28 -7.395 23.096 -19.486 1.00 0.00 C ATOM 441 CD GLU A 28 -8.093 21.755 -19.677 1.00 0.00 C ATOM 442 OE1 GLU A 28 -7.813 20.825 -18.888 1.00 0.00 O ATOM 443 OE2 GLU A 28 -8.920 21.672 -20.611 1.00 0.00 O ATOM 0 H GLU A 28 -4.061 23.484 -17.326 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.765 25.134 -18.608 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.292 22.716 -19.138 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.329 22.233 -17.811 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.104 23.813 -19.074 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.083 23.479 -20.458 1.00 0.00 H new ATOM 450 N GLU A 29 -7.307 24.093 -15.858 1.00 0.00 N ATOM 451 CA GLU A 29 -8.419 24.363 -14.946 1.00 0.00 C ATOM 452 C GLU A 29 -8.369 25.801 -14.423 1.00 0.00 C ATOM 453 O GLU A 29 -9.377 26.499 -14.452 1.00 0.00 O ATOM 454 CB GLU A 29 -8.467 23.321 -13.818 1.00 0.00 C ATOM 455 CG GLU A 29 -9.581 23.541 -12.785 1.00 0.00 C ATOM 456 CD GLU A 29 -10.972 23.302 -13.367 1.00 0.00 C ATOM 457 OE1 GLU A 29 -11.409 22.132 -13.334 1.00 0.00 O ATOM 458 OE2 GLU A 29 -11.580 24.293 -13.826 1.00 0.00 O ATOM 0 H GLU A 29 -6.673 23.367 -15.524 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.352 24.269 -15.501 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.591 22.333 -14.261 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.507 23.321 -13.302 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.425 22.872 -11.939 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.521 24.560 -12.402 1.00 0.00 H new ATOM 465 N LEU A 30 -7.217 26.290 -13.954 1.00 0.00 N ATOM 466 CA LEU A 30 -7.159 27.676 -13.497 1.00 0.00 C ATOM 467 C LEU A 30 -7.432 28.635 -14.656 1.00 0.00 C ATOM 468 O LEU A 30 -8.074 29.664 -14.460 1.00 0.00 O ATOM 469 CB LEU A 30 -5.858 27.995 -12.753 1.00 0.00 C ATOM 470 CG LEU A 30 -5.684 27.219 -11.439 1.00 0.00 C ATOM 471 CD1 LEU A 30 -4.306 27.539 -10.849 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.761 27.572 -10.401 1.00 0.00 C ATOM 0 H LEU A 30 -6.344 25.768 -13.883 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.951 27.819 -12.762 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.014 27.776 -13.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.826 29.063 -12.539 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.780 26.158 -11.669 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.174 26.992 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.530 27.244 -11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.232 28.609 -10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.592 26.996 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.710 28.636 -10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.746 27.334 -10.803 1.00 0.00 H new ATOM 484 N LEU A 31 -6.999 28.299 -15.872 1.00 0.00 N ATOM 485 CA LEU A 31 -7.278 29.103 -17.061 1.00 0.00 C ATOM 486 C LEU A 31 -8.769 29.038 -17.343 1.00 0.00 C ATOM 487 O LEU A 31 -9.358 30.027 -17.770 1.00 0.00 O ATOM 488 CB LEU A 31 -6.438 28.609 -18.223 1.00 0.00 C ATOM 489 CG LEU A 31 -4.976 29.049 -18.075 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.442 29.229 -16.650 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.129 27.988 -18.748 1.00 0.00 C ATOM 0 H LEU A 31 -6.446 27.463 -16.059 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.009 30.147 -16.903 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.490 27.522 -18.277 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.844 28.994 -19.159 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.924 30.043 -18.520 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.398 29.541 -16.689 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.029 29.989 -16.135 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.518 28.285 -16.111 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.076 28.258 -18.668 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.295 27.027 -18.261 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.406 27.914 -19.800 1.00 0.00 H new ATOM 503 N ALA A 32 -9.377 27.891 -17.033 1.00 0.00 N ATOM 504 CA ALA A 32 -10.817 27.720 -17.123 1.00 0.00 C ATOM 505 C ALA A 32 -11.508 28.746 -16.213 1.00 0.00 C ATOM 506 O ALA A 32 -12.646 29.127 -16.474 1.00 0.00 O ATOM 507 CB ALA A 32 -11.244 26.280 -16.807 1.00 0.00 C ATOM 0 H ALA A 32 -8.880 27.059 -16.714 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.131 27.902 -18.151 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.328 26.196 -16.886 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.775 25.598 -17.516 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.933 26.022 -15.795 1.00 0.00 H new ATOM 513 N GLN A 33 -10.803 29.218 -15.170 1.00 0.00 N ATOM 514 CA GLN A 33 -11.278 30.246 -14.255 1.00 0.00 C ATOM 515 C GLN A 33 -10.906 31.617 -14.832 1.00 0.00 C ATOM 516 O GLN A 33 -11.665 32.575 -14.703 1.00 0.00 O ATOM 517 CB GLN A 33 -10.681 30.017 -12.858 1.00 0.00 C ATOM 518 CG GLN A 33 -11.785 29.960 -11.798 1.00 0.00 C ATOM 519 CD GLN A 33 -11.205 29.780 -10.399 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.323 30.663 -9.553 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.574 28.633 -10.146 1.00 0.00 N ATOM 0 H GLN A 33 -9.867 28.881 -14.943 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.362 30.202 -14.147 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.113 29.087 -12.848 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.983 30.819 -12.620 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.374 30.877 -11.834 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.463 29.136 -12.021 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.496 27.923 -10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.170 28.466 -9.225 1.00 0.00 H new ATOM 530 N GLY A 34 -9.738 31.683 -15.480 1.00 0.00 N ATOM 531 CA GLY A 34 -9.179 32.848 -16.150 1.00 0.00 C ATOM 532 C GLY A 34 -7.746 33.183 -15.726 1.00 0.00 C ATOM 533 O GLY A 34 -7.272 34.272 -16.049 1.00 0.00 O ATOM 0 H GLY A 34 -9.125 30.871 -15.551 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.198 32.679 -17.227 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.817 33.709 -15.951 1.00 0.00 H new ATOM 537 N ASP A 35 -7.044 32.293 -15.007 1.00 0.00 N ATOM 538 CA ASP A 35 -5.685 32.582 -14.521 1.00 0.00 C ATOM 539 C ASP A 35 -4.562 32.403 -15.565 1.00 0.00 C ATOM 540 O ASP A 35 -3.535 31.787 -15.289 1.00 0.00 O ATOM 541 CB ASP A 35 -5.403 31.781 -13.238 1.00 0.00 C ATOM 542 CG ASP A 35 -4.353 32.438 -12.341 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.648 33.352 -12.824 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.264 31.995 -11.175 1.00 0.00 O ATOM 0 H ASP A 35 -7.393 31.370 -14.750 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.669 33.649 -14.300 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.331 31.665 -12.677 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.067 30.780 -13.508 1.00 0.00 H new ATOM 549 N TYR A 36 -4.741 32.949 -16.770 1.00 0.00 N ATOM 550 CA TYR A 36 -3.799 32.903 -17.891 1.00 0.00 C ATOM 551 C TYR A 36 -2.379 33.289 -17.494 1.00 0.00 C ATOM 552 O TYR A 36 -1.415 32.685 -17.962 1.00 0.00 O ATOM 553 CB TYR A 36 -4.300 33.790 -19.035 1.00 0.00 C ATOM 554 CG TYR A 36 -5.797 33.759 -19.288 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.437 32.550 -19.616 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.554 34.942 -19.192 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.822 32.521 -19.847 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.941 34.914 -19.423 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.574 33.704 -19.750 1.00 0.00 C ATOM 560 OH TYR A 36 -9.920 33.674 -19.973 1.00 0.00 O ATOM 0 H TYR A 36 -5.591 33.462 -17.002 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.753 31.867 -18.226 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.007 34.819 -18.827 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.789 33.492 -19.951 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.861 31.640 -19.691 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.068 35.873 -18.940 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.309 31.590 -20.099 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.519 35.823 -19.349 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.290 34.575 -19.865 1.00 0.00 H new ATOM 570 N GLU A 37 -2.270 34.286 -16.620 1.00 0.00 N ATOM 571 CA GLU A 37 -1.001 34.775 -16.107 1.00 0.00 C ATOM 572 C GLU A 37 -0.239 33.633 -15.449 1.00 0.00 C ATOM 573 O GLU A 37 0.954 33.456 -15.694 1.00 0.00 O ATOM 574 CB GLU A 37 -1.229 35.958 -15.157 1.00 0.00 C ATOM 575 CG GLU A 37 -1.846 37.163 -15.884 1.00 0.00 C ATOM 576 CD GLU A 37 -0.967 37.633 -17.036 1.00 0.00 C ATOM 577 OE1 GLU A 37 0.100 38.222 -16.754 1.00 0.00 O ATOM 578 OE2 GLU A 37 -1.329 37.360 -18.202 1.00 0.00 O ATOM 0 H GLU A 37 -3.077 34.783 -16.244 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.388 35.146 -16.928 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.885 35.649 -14.343 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.280 36.251 -14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.832 36.894 -16.264 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.989 37.981 -15.178 1.00 0.00 H new ATOM 585 N LYS A 38 -0.948 32.839 -14.649 1.00 0.00 N ATOM 586 CA LYS A 38 -0.355 31.668 -14.024 1.00 0.00 C ATOM 587 C LYS A 38 -0.164 30.600 -15.084 1.00 0.00 C ATOM 588 O LYS A 38 0.817 29.874 -15.025 1.00 0.00 O ATOM 589 CB LYS A 38 -1.187 31.129 -12.855 1.00 0.00 C ATOM 590 CG LYS A 38 -0.925 31.875 -11.539 1.00 0.00 C ATOM 591 CD LYS A 38 0.494 31.677 -10.967 1.00 0.00 C ATOM 592 CE LYS A 38 0.836 30.204 -10.691 1.00 0.00 C ATOM 593 NZ LYS A 38 2.208 30.027 -10.179 1.00 0.00 N ATOM 0 H LYS A 38 -1.931 32.988 -14.421 1.00 0.00 H new ATOM 0 HA LYS A 38 0.605 31.959 -13.598 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.245 31.204 -13.104 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.966 30.071 -12.717 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.094 32.940 -11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.652 31.545 -10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.221 32.087 -11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.588 32.245 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.127 29.799 -9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.718 29.629 -11.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.201 29.342 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.821 29.675 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.571 30.939 -9.837 1.00 0.00 H new ATOM 607 N GLY A 39 -1.074 30.505 -16.057 1.00 0.00 N ATOM 608 CA GLY A 39 -0.995 29.551 -17.142 1.00 0.00 C ATOM 609 C GLY A 39 0.373 29.540 -17.803 1.00 0.00 C ATOM 610 O GLY A 39 0.928 28.486 -18.102 1.00 0.00 O ATOM 0 H GLY A 39 -1.898 31.105 -16.104 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.221 28.554 -16.763 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.754 29.788 -17.887 1.00 0.00 H new ATOM 614 N VAL A 40 0.928 30.726 -18.036 1.00 0.00 N ATOM 615 CA VAL A 40 2.229 30.825 -18.670 1.00 0.00 C ATOM 616 C VAL A 40 3.302 30.120 -17.829 1.00 0.00 C ATOM 617 O VAL A 40 4.137 29.396 -18.368 1.00 0.00 O ATOM 618 CB VAL A 40 2.537 32.307 -18.978 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.933 32.432 -19.584 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.509 32.909 -19.956 1.00 0.00 C ATOM 0 H VAL A 40 0.499 31.620 -17.797 1.00 0.00 H new ATOM 0 HA VAL A 40 2.227 30.300 -19.625 1.00 0.00 H new ATOM 0 HB VAL A 40 2.483 32.857 -18.038 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.144 33.480 -19.799 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.671 32.050 -18.879 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.982 31.855 -20.508 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.758 33.952 -20.149 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.529 32.352 -20.893 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.512 32.849 -19.519 1.00 0.00 H new ATOM 630 N ASP A 41 3.264 30.312 -16.510 1.00 0.00 N ATOM 631 CA ASP A 41 4.198 29.717 -15.560 1.00 0.00 C ATOM 632 C ASP A 41 3.960 28.211 -15.476 1.00 0.00 C ATOM 633 O ASP A 41 4.888 27.414 -15.580 1.00 0.00 O ATOM 634 CB ASP A 41 4.057 30.407 -14.188 1.00 0.00 C ATOM 635 CG ASP A 41 4.739 29.656 -13.050 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.912 29.268 -13.229 1.00 0.00 O ATOM 637 OD2 ASP A 41 4.067 29.499 -12.005 1.00 0.00 O ATOM 0 H ASP A 41 2.562 30.902 -16.063 1.00 0.00 H new ATOM 0 HA ASP A 41 5.223 29.868 -15.899 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.477 31.411 -14.252 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.998 30.518 -13.955 1.00 0.00 H new ATOM 642 N HIS A 42 2.699 27.828 -15.293 1.00 0.00 N ATOM 643 CA HIS A 42 2.265 26.452 -15.178 1.00 0.00 C ATOM 644 C HIS A 42 2.762 25.655 -16.365 1.00 0.00 C ATOM 645 O HIS A 42 3.266 24.542 -16.214 1.00 0.00 O ATOM 646 CB HIS A 42 0.719 26.352 -15.083 1.00 0.00 C ATOM 647 CG HIS A 42 0.098 25.545 -16.204 1.00 0.00 C ATOM 648 ND1 HIS A 42 0.113 24.162 -16.182 1.00 0.00 N ATOM 649 CD2 HIS A 42 -0.532 25.871 -17.386 1.00 0.00 C ATOM 650 CE1 HIS A 42 -0.482 23.742 -17.307 1.00 0.00 C ATOM 651 NE2 HIS A 42 -0.902 24.733 -18.084 1.00 0.00 N ATOM 0 H HIS A 42 1.931 28.495 -15.219 1.00 0.00 H new ATOM 0 HA HIS A 42 2.686 26.041 -14.260 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.450 25.901 -14.128 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.296 27.357 -15.091 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.713 26.881 -17.723 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.608 22.699 -17.557 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.383 24.671 -18.981 1.00 0.00 H new ATOM 659 N LEU A 43 2.575 26.224 -17.556 1.00 0.00 N ATOM 660 CA LEU A 43 2.944 25.492 -18.737 1.00 0.00 C ATOM 661 C LEU A 43 4.457 25.456 -18.791 1.00 0.00 C ATOM 662 O LEU A 43 5.012 24.406 -19.085 1.00 0.00 O ATOM 663 CB LEU A 43 2.225 26.029 -19.983 1.00 0.00 C ATOM 664 CG LEU A 43 1.964 24.904 -20.998 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.787 23.980 -20.631 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.582 25.519 -22.345 1.00 0.00 C ATOM 0 H LEU A 43 2.185 27.153 -17.713 1.00 0.00 H new ATOM 0 HA LEU A 43 2.604 24.457 -18.705 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.280 26.487 -19.692 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.828 26.809 -20.447 1.00 0.00 H new ATOM 0 HG LEU A 43 2.885 24.321 -21.017 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.672 23.215 -21.399 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.984 23.503 -19.671 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.129 24.567 -20.563 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.396 24.725 -23.068 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.681 26.121 -22.228 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.396 26.150 -22.701 1.00 0.00 H new ATOM 678 N THR A 44 5.125 26.569 -18.456 1.00 0.00 N ATOM 679 CA THR A 44 6.588 26.594 -18.441 1.00 0.00 C ATOM 680 C THR A 44 7.130 25.431 -17.590 1.00 0.00 C ATOM 681 O THR A 44 8.144 24.810 -17.915 1.00 0.00 O ATOM 682 CB THR A 44 7.150 27.949 -17.986 1.00 0.00 C ATOM 683 OG1 THR A 44 6.796 28.939 -18.927 1.00 0.00 O ATOM 684 CG2 THR A 44 8.681 27.909 -17.931 1.00 0.00 C ATOM 0 H THR A 44 4.681 27.450 -18.196 1.00 0.00 H new ATOM 0 HA THR A 44 6.933 26.460 -19.466 1.00 0.00 H new ATOM 0 HB THR A 44 6.743 28.169 -16.999 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.852 29.176 -18.813 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.059 28.879 -17.607 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.000 27.141 -17.226 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.075 27.679 -18.921 1.00 0.00 H new ATOM 692 N ASN A 45 6.425 25.130 -16.496 1.00 0.00 N ATOM 693 CA ASN A 45 6.799 24.049 -15.590 1.00 0.00 C ATOM 694 C ASN A 45 6.572 22.700 -16.274 1.00 0.00 C ATOM 695 O ASN A 45 7.421 21.802 -16.202 1.00 0.00 O ATOM 696 CB ASN A 45 6.084 24.150 -14.239 1.00 0.00 C ATOM 697 CG ASN A 45 6.745 25.158 -13.302 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.592 24.793 -12.492 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.371 26.430 -13.408 1.00 0.00 N ATOM 0 H ASN A 45 5.581 25.630 -16.217 1.00 0.00 H new ATOM 0 HA ASN A 45 7.861 24.141 -15.363 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.045 24.437 -14.402 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.073 23.169 -13.763 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.791 27.137 -12.805 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.664 26.698 -14.092 1.00 0.00 H new ATOM 706 N ALA A 46 5.440 22.565 -16.977 1.00 0.00 N ATOM 707 CA ALA A 46 5.139 21.345 -17.701 1.00 0.00 C ATOM 708 C ALA A 46 6.296 21.077 -18.688 1.00 0.00 C ATOM 709 O ALA A 46 6.767 19.947 -18.802 1.00 0.00 O ATOM 710 CB ALA A 46 3.715 21.402 -18.276 1.00 0.00 C ATOM 0 H ALA A 46 4.726 23.289 -17.053 1.00 0.00 H new ATOM 0 HA ALA A 46 5.101 20.465 -17.059 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.504 20.479 -18.817 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.999 21.518 -17.463 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.631 22.249 -18.957 1.00 0.00 H new ATOM 716 N ILE A 47 6.808 22.125 -19.359 1.00 0.00 N ATOM 717 CA ILE A 47 7.963 22.005 -20.254 1.00 0.00 C ATOM 718 C ILE A 47 9.217 21.603 -19.477 1.00 0.00 C ATOM 719 O ILE A 47 10.051 20.866 -19.999 1.00 0.00 O ATOM 720 CB ILE A 47 8.248 23.289 -21.078 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.222 23.535 -22.213 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.678 23.302 -21.659 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.900 24.092 -21.703 1.00 0.00 C ATOM 0 H ILE A 47 6.432 23.071 -19.294 1.00 0.00 H new ATOM 0 HA ILE A 47 7.701 21.222 -20.966 1.00 0.00 H new ATOM 0 HB ILE A 47 8.148 24.106 -20.363 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.648 24.229 -22.938 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.038 22.598 -22.739 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.831 24.219 -22.228 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.402 23.254 -20.845 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.812 22.442 -22.315 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.221 24.244 -22.542 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.456 23.388 -21.000 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.075 25.044 -21.201 1.00 0.00 H new ATOM 735 N ALA A 48 9.362 22.100 -18.249 1.00 0.00 N ATOM 736 CA ALA A 48 10.524 21.845 -17.411 1.00 0.00 C ATOM 737 C ALA A 48 10.664 20.370 -17.105 1.00 0.00 C ATOM 738 O ALA A 48 11.783 19.874 -16.982 1.00 0.00 O ATOM 739 CB ALA A 48 10.496 22.652 -16.110 1.00 0.00 C ATOM 0 H ALA A 48 8.664 22.698 -17.806 1.00 0.00 H new ATOM 0 HA ALA A 48 11.393 22.172 -17.982 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.385 22.425 -15.522 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.477 23.717 -16.343 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.606 22.390 -15.538 1.00 0.00 H new ATOM 745 N VAL A 49 9.529 19.678 -16.995 1.00 0.00 N ATOM 746 CA VAL A 49 9.548 18.261 -16.694 1.00 0.00 C ATOM 747 C VAL A 49 9.369 17.414 -17.949 1.00 0.00 C ATOM 748 O VAL A 49 9.676 16.224 -17.918 1.00 0.00 O ATOM 749 CB VAL A 49 8.510 17.958 -15.617 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.762 18.894 -14.431 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.059 18.079 -16.092 1.00 0.00 C ATOM 0 H VAL A 49 8.598 20.078 -17.110 1.00 0.00 H new ATOM 0 HA VAL A 49 10.528 17.990 -16.301 1.00 0.00 H new ATOM 0 HB VAL A 49 8.631 16.913 -15.333 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.030 18.694 -13.648 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.766 18.725 -14.041 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.670 19.929 -14.759 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.386 17.848 -15.267 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.873 19.096 -16.438 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.884 17.380 -16.910 1.00 0.00 H new ATOM 761 N CYS A 50 8.895 18.008 -19.051 1.00 0.00 N ATOM 762 CA CYS A 50 8.724 17.260 -20.291 1.00 0.00 C ATOM 763 C CYS A 50 10.045 17.225 -21.057 1.00 0.00 C ATOM 764 O CYS A 50 10.485 16.160 -21.483 1.00 0.00 O ATOM 765 CB CYS A 50 7.572 17.851 -21.099 1.00 0.00 C ATOM 766 SG CYS A 50 7.475 17.084 -22.734 1.00 0.00 S ATOM 0 H CYS A 50 8.628 18.991 -19.105 1.00 0.00 H new ATOM 0 HA CYS A 50 8.456 16.225 -20.078 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.633 17.701 -20.566 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.710 18.927 -21.205 1.00 0.00 H new ATOM 0 HG CYS A 50 6.486 17.604 -23.399 1.00 0.00 H new ATOM 772 N GLY A 51 10.686 18.387 -21.232 1.00 0.00 N ATOM 773 CA GLY A 51 11.961 18.498 -21.932 1.00 0.00 C ATOM 774 C GLY A 51 11.824 18.382 -23.452 1.00 0.00 C ATOM 775 O GLY A 51 12.826 18.334 -24.160 1.00 0.00 O ATOM 0 H GLY A 51 10.329 19.278 -20.888 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.421 19.455 -21.687 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.634 17.719 -21.573 1.00 0.00 H new ATOM 779 N GLN A 52 10.585 18.347 -23.951 1.00 0.00 N ATOM 780 CA GLN A 52 10.248 18.255 -25.364 1.00 0.00 C ATOM 781 C GLN A 52 9.116 19.262 -25.581 1.00 0.00 C ATOM 782 O GLN A 52 7.997 18.867 -25.911 1.00 0.00 O ATOM 783 CB GLN A 52 9.871 16.799 -25.680 1.00 0.00 C ATOM 784 CG GLN A 52 9.904 16.512 -27.185 1.00 0.00 C ATOM 785 CD GLN A 52 11.311 16.223 -27.701 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.750 15.078 -27.693 1.00 0.00 O ATOM 787 NE2 GLN A 52 12.017 17.252 -28.174 1.00 0.00 N ATOM 0 H GLN A 52 9.760 18.384 -23.352 1.00 0.00 H new ATOM 0 HA GLN A 52 11.066 18.501 -26.041 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.559 16.127 -25.167 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.874 16.590 -25.293 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.260 15.660 -27.402 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.493 17.367 -27.722 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.619 18.191 -28.164 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.955 17.099 -28.545 1.00 0.00 H new ATOM 796 N PRO A 53 9.383 20.571 -25.382 1.00 0.00 N ATOM 797 CA PRO A 53 8.379 21.610 -25.526 1.00 0.00 C ATOM 798 C PRO A 53 7.618 21.529 -26.838 1.00 0.00 C ATOM 799 O PRO A 53 6.397 21.479 -26.833 1.00 0.00 O ATOM 800 CB PRO A 53 9.114 22.950 -25.389 1.00 0.00 C ATOM 801 CG PRO A 53 10.588 22.599 -25.575 1.00 0.00 C ATOM 802 CD PRO A 53 10.648 21.191 -24.994 1.00 0.00 C ATOM 0 HA PRO A 53 7.616 21.491 -24.757 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.779 23.665 -26.140 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.934 23.403 -24.414 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.885 22.622 -26.624 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.243 23.289 -25.043 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.498 20.636 -25.390 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.760 21.215 -23.910 1.00 0.00 H new ATOM 810 N GLN A 54 8.347 21.526 -27.949 1.00 0.00 N ATOM 811 CA GLN A 54 7.797 21.503 -29.301 1.00 0.00 C ATOM 812 C GLN A 54 6.817 20.348 -29.510 1.00 0.00 C ATOM 813 O GLN A 54 5.770 20.538 -30.130 1.00 0.00 O ATOM 814 CB GLN A 54 8.940 21.488 -30.330 1.00 0.00 C ATOM 815 CG GLN A 54 9.964 22.637 -30.180 1.00 0.00 C ATOM 816 CD GLN A 54 10.991 22.638 -31.310 1.00 0.00 C ATOM 817 OE1 GLN A 54 11.097 21.679 -32.069 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.764 23.718 -31.426 1.00 0.00 N ATOM 0 H GLN A 54 9.367 21.540 -27.934 1.00 0.00 H new ATOM 0 HA GLN A 54 7.215 22.413 -29.447 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.468 20.538 -30.252 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.510 21.532 -31.330 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.438 23.592 -30.167 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.478 22.543 -29.223 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.651 24.498 -30.779 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.469 23.764 -32.162 1.00 0.00 H new ATOM 827 N GLN A 55 7.135 19.160 -28.982 1.00 0.00 N ATOM 828 CA GLN A 55 6.243 18.012 -29.100 1.00 0.00 C ATOM 829 C GLN A 55 4.929 18.343 -28.402 1.00 0.00 C ATOM 830 O GLN A 55 3.856 18.128 -28.961 1.00 0.00 O ATOM 831 CB GLN A 55 6.891 16.735 -28.541 1.00 0.00 C ATOM 832 CG GLN A 55 6.063 15.468 -28.786 1.00 0.00 C ATOM 833 CD GLN A 55 6.088 15.068 -30.258 1.00 0.00 C ATOM 834 OE1 GLN A 55 5.149 15.349 -30.995 1.00 0.00 O ATOM 835 NE2 GLN A 55 7.166 14.421 -30.700 1.00 0.00 N ATOM 0 H GLN A 55 7.999 18.974 -28.473 1.00 0.00 H new ATOM 0 HA GLN A 55 6.044 17.810 -30.152 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.875 16.609 -28.993 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.046 16.856 -27.469 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.454 14.652 -28.178 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.034 15.636 -28.470 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.929 14.203 -30.059 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.228 14.143 -31.680 1.00 0.00 H new ATOM 844 N LEU A 56 5.025 18.887 -27.189 1.00 0.00 N ATOM 845 CA LEU A 56 3.856 19.288 -26.438 1.00 0.00 C ATOM 846 C LEU A 56 3.104 20.392 -27.192 1.00 0.00 C ATOM 847 O LEU A 56 1.883 20.390 -27.235 1.00 0.00 O ATOM 848 CB LEU A 56 4.215 19.713 -25.006 1.00 0.00 C ATOM 849 CG LEU A 56 2.976 20.017 -24.147 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.121 18.769 -23.845 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.455 20.679 -22.851 1.00 0.00 C ATOM 0 H LEU A 56 5.910 19.057 -26.711 1.00 0.00 H new ATOM 0 HA LEU A 56 3.195 18.426 -26.344 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.795 18.922 -24.532 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.852 20.597 -25.043 1.00 0.00 H new ATOM 0 HG LEU A 56 2.321 20.684 -24.708 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.263 19.054 -23.236 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.772 18.332 -24.781 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.723 18.038 -23.305 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.596 20.907 -22.220 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.124 20.001 -22.322 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.986 21.601 -23.088 1.00 0.00 H new ATOM 863 N LEU A 57 3.812 21.348 -27.797 1.00 0.00 N ATOM 864 CA LEU A 57 3.147 22.428 -28.515 1.00 0.00 C ATOM 865 C LEU A 57 2.298 21.892 -29.664 1.00 0.00 C ATOM 866 O LEU A 57 1.147 22.312 -29.813 1.00 0.00 O ATOM 867 CB LEU A 57 4.134 23.507 -28.993 1.00 0.00 C ATOM 868 CG LEU A 57 4.928 24.258 -27.904 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.766 25.344 -28.587 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.046 24.835 -26.785 1.00 0.00 C ATOM 0 H LEU A 57 4.831 21.394 -27.803 1.00 0.00 H new ATOM 0 HA LEU A 57 2.475 22.913 -27.807 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.848 23.038 -29.670 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.578 24.242 -29.575 1.00 0.00 H new ATOM 0 HG LEU A 57 5.576 23.543 -27.397 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.337 25.889 -27.836 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.451 24.882 -29.298 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.107 26.034 -29.114 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.673 25.349 -26.056 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.333 25.540 -27.211 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.506 24.026 -26.293 1.00 0.00 H new ATOM 882 N GLN A 58 2.823 20.957 -30.465 1.00 0.00 N ATOM 883 CA GLN A 58 2.007 20.415 -31.541 1.00 0.00 C ATOM 884 C GLN A 58 0.832 19.652 -30.920 1.00 0.00 C ATOM 885 O GLN A 58 -0.299 19.772 -31.382 1.00 0.00 O ATOM 886 CB GLN A 58 2.821 19.671 -32.616 1.00 0.00 C ATOM 887 CG GLN A 58 3.438 18.321 -32.235 1.00 0.00 C ATOM 888 CD GLN A 58 2.405 17.209 -32.075 1.00 0.00 C ATOM 889 OE1 GLN A 58 1.517 17.053 -32.908 1.00 0.00 O ATOM 890 NE2 GLN A 58 2.507 16.432 -31.000 1.00 0.00 N ATOM 0 H GLN A 58 3.767 20.578 -30.391 1.00 0.00 H new ATOM 0 HA GLN A 58 1.579 21.223 -32.134 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.172 19.512 -33.478 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.627 20.329 -32.941 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.159 18.030 -32.999 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.990 18.432 -31.302 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.257 16.589 -30.327 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.835 15.680 -30.849 1.00 0.00 H new ATOM 899 N VAL A 59 1.098 18.896 -29.847 1.00 0.00 N ATOM 900 CA VAL A 59 0.082 18.124 -29.142 1.00 0.00 C ATOM 901 C VAL A 59 -1.025 18.998 -28.572 1.00 0.00 C ATOM 902 O VAL A 59 -2.164 18.550 -28.501 1.00 0.00 O ATOM 903 CB VAL A 59 0.695 17.166 -28.099 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.477 17.512 -26.614 1.00 0.00 C ATOM 905 CG2 VAL A 59 0.223 15.750 -28.309 1.00 0.00 C ATOM 0 H VAL A 59 2.032 18.806 -29.446 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.399 17.490 -29.886 1.00 0.00 H new ATOM 0 HB VAL A 59 1.762 17.284 -28.286 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.959 16.759 -25.990 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.909 18.490 -26.401 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.591 17.533 -26.398 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.673 15.101 -27.558 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.863 15.711 -28.218 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.516 15.412 -29.303 1.00 0.00 H new ATOM 915 N LEU A 60 -0.708 20.241 -28.209 1.00 0.00 N ATOM 916 CA LEU A 60 -1.689 21.172 -27.663 1.00 0.00 C ATOM 917 C LEU A 60 -2.502 21.716 -28.833 1.00 0.00 C ATOM 918 O LEU A 60 -3.716 21.852 -28.713 1.00 0.00 O ATOM 919 CB LEU A 60 -0.977 22.371 -26.995 1.00 0.00 C ATOM 920 CG LEU A 60 -0.599 22.311 -25.500 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.625 23.055 -24.633 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.467 20.907 -24.907 1.00 0.00 C ATOM 0 H LEU A 60 0.233 20.627 -28.286 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.311 20.660 -26.928 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.059 22.555 -27.554 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.615 23.244 -27.133 1.00 0.00 H new ATOM 0 HG LEU A 60 0.385 22.780 -25.480 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.329 22.994 -23.586 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.668 24.101 -24.937 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.607 22.599 -24.760 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.199 20.981 -23.853 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.416 20.380 -25.004 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.309 20.358 -25.441 1.00 0.00 H new ATOM 934 N GLN A 61 -1.848 22.010 -29.962 1.00 0.00 N ATOM 935 CA GLN A 61 -2.529 22.550 -31.140 1.00 0.00 C ATOM 936 C GLN A 61 -3.492 21.521 -31.742 1.00 0.00 C ATOM 937 O GLN A 61 -4.488 21.888 -32.364 1.00 0.00 O ATOM 938 CB GLN A 61 -1.497 23.059 -32.162 1.00 0.00 C ATOM 939 CG GLN A 61 -2.104 23.821 -33.348 1.00 0.00 C ATOM 940 CD GLN A 61 -2.765 25.132 -32.929 1.00 0.00 C ATOM 941 OE1 GLN A 61 -2.152 25.953 -32.254 1.00 0.00 O ATOM 942 NE2 GLN A 61 -4.015 25.345 -33.337 1.00 0.00 N ATOM 0 H GLN A 61 -0.843 21.882 -30.083 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.138 23.402 -30.837 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.788 23.711 -31.651 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.931 22.209 -32.543 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.323 24.030 -34.079 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.842 23.188 -33.842 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.496 24.641 -33.897 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.492 26.212 -33.089 1.00 0.00 H new ATOM 951 N GLN A 62 -3.189 20.233 -31.549 1.00 0.00 N ATOM 952 CA GLN A 62 -3.969 19.105 -32.033 1.00 0.00 C ATOM 953 C GLN A 62 -5.268 18.969 -31.247 1.00 0.00 C ATOM 954 O GLN A 62 -6.307 18.674 -31.834 1.00 0.00 O ATOM 955 CB GLN A 62 -3.144 17.822 -31.890 1.00 0.00 C ATOM 956 CG GLN A 62 -2.047 17.695 -32.949 1.00 0.00 C ATOM 957 CD GLN A 62 -2.587 17.216 -34.294 1.00 0.00 C ATOM 958 OE1 GLN A 62 -2.709 16.015 -34.524 1.00 0.00 O ATOM 959 NE2 GLN A 62 -2.914 18.147 -35.190 1.00 0.00 N ATOM 0 H GLN A 62 -2.360 19.944 -31.030 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.217 19.273 -33.081 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.690 17.797 -30.900 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.808 16.960 -31.958 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.559 18.661 -33.080 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.286 16.998 -32.598 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.799 19.135 -34.964 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.279 17.871 -36.102 1.00 0.00 H new ATOM 968 N THR A 63 -5.214 19.170 -29.925 1.00 0.00 N ATOM 969 CA THR A 63 -6.401 19.045 -29.092 1.00 0.00 C ATOM 970 C THR A 63 -7.267 20.294 -29.178 1.00 0.00 C ATOM 971 O THR A 63 -8.488 20.174 -29.277 1.00 0.00 O ATOM 972 CB THR A 63 -6.072 18.579 -27.671 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.235 18.517 -26.871 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.013 19.401 -26.955 1.00 0.00 C ATOM 0 H THR A 63 -4.364 19.418 -29.418 1.00 0.00 H new ATOM 0 HA THR A 63 -7.018 18.240 -29.492 1.00 0.00 H new ATOM 0 HB THR A 63 -5.648 17.584 -27.807 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.996 18.215 -25.970 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.850 18.994 -25.957 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.081 19.364 -27.519 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.348 20.435 -26.875 1.00 0.00 H new ATOM 982 N LEU A 64 -6.649 21.479 -29.163 1.00 0.00 N ATOM 983 CA LEU A 64 -7.395 22.738 -29.271 1.00 0.00 C ATOM 984 C LEU A 64 -6.483 23.938 -29.543 1.00 0.00 C ATOM 985 O LEU A 64 -5.359 23.955 -29.057 1.00 0.00 O ATOM 986 CB LEU A 64 -8.285 22.989 -28.029 1.00 0.00 C ATOM 987 CG LEU A 64 -7.621 23.681 -26.824 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.694 23.978 -25.770 1.00 0.00 C ATOM 989 CD2 LEU A 64 -6.529 22.822 -26.180 1.00 0.00 C ATOM 0 H LEU A 64 -5.639 21.594 -29.078 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.050 22.630 -30.135 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.138 23.593 -28.339 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.679 22.029 -27.694 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.153 24.595 -27.189 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.235 24.468 -24.912 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.453 24.632 -26.198 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.158 23.045 -25.450 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.095 23.358 -25.336 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.962 21.885 -25.831 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.752 22.611 -26.914 1.00 0.00 H new ATOM 1001 N PRO A 65 -6.938 24.966 -30.283 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.143 26.160 -30.536 1.00 0.00 C ATOM 1003 C PRO A 65 -5.916 26.872 -29.192 1.00 0.00 C ATOM 1004 O PRO A 65 -6.887 27.307 -28.579 1.00 0.00 O ATOM 1005 CB PRO A 65 -6.966 27.004 -31.517 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.405 26.556 -31.268 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.247 25.079 -30.908 1.00 0.00 C ATOM 0 HA PRO A 65 -5.162 25.957 -30.964 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.841 28.070 -31.329 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.664 26.825 -32.549 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.870 27.121 -30.460 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.029 26.692 -32.152 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.035 24.755 -30.228 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.313 24.450 -31.796 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.668 26.975 -28.703 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.352 27.575 -27.416 1.00 0.00 C ATOM 1017 C PRO A 66 -4.124 29.092 -27.500 1.00 0.00 C ATOM 1018 O PRO A 66 -3.101 29.519 -28.030 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.087 26.835 -26.984 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.345 26.567 -28.297 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.458 26.474 -29.339 1.00 0.00 C ATOM 0 HA PRO A 66 -5.173 27.477 -26.706 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.486 27.437 -26.302 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.326 25.907 -26.464 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.645 27.369 -28.531 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.767 25.644 -28.247 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.212 27.064 -30.222 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.593 25.445 -29.671 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.026 29.938 -26.968 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.821 31.380 -26.968 1.00 0.00 C ATOM 1031 C PRO A 67 -3.754 31.732 -25.920 1.00 0.00 C ATOM 1032 O PRO A 67 -2.951 32.639 -26.119 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.184 31.981 -26.622 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.832 30.914 -25.739 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.279 29.602 -26.301 1.00 0.00 C ATOM 0 HA PRO A 67 -4.466 31.767 -27.923 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.082 32.930 -26.095 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.776 32.175 -27.517 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.566 31.045 -24.690 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.920 30.950 -25.799 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.113 28.877 -25.504 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.983 29.151 -27.000 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.748 30.989 -24.808 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.820 31.124 -23.692 1.00 0.00 C ATOM 1045 C VAL A 68 -1.396 31.010 -24.215 1.00 0.00 C ATOM 1046 O VAL A 68 -0.564 31.856 -23.911 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.113 30.065 -22.615 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.960 29.976 -21.609 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.412 30.437 -21.893 1.00 0.00 C ATOM 0 H VAL A 68 -4.426 30.242 -24.660 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.944 32.101 -23.225 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.219 29.091 -23.092 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.190 29.221 -20.858 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.043 29.702 -22.130 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.826 30.942 -21.123 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.629 29.692 -21.127 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.301 31.416 -21.426 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.231 30.468 -22.611 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.137 29.969 -25.011 1.00 0.00 N ATOM 1060 CA PHE A 69 0.153 29.727 -25.646 1.00 0.00 C ATOM 1061 C PHE A 69 0.703 31.007 -26.271 1.00 0.00 C ATOM 1062 O PHE A 69 1.867 31.337 -26.073 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.025 28.641 -26.707 1.00 0.00 C ATOM 1064 CG PHE A 69 1.125 28.468 -27.673 1.00 0.00 C ATOM 1065 CD1 PHE A 69 2.394 28.108 -27.193 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.926 28.669 -29.052 1.00 0.00 C ATOM 1067 CE1 PHE A 69 3.462 27.950 -28.087 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.997 28.507 -29.947 1.00 0.00 C ATOM 1069 CZ PHE A 69 3.266 28.149 -29.464 1.00 0.00 C ATOM 0 H PHE A 69 -1.835 29.259 -25.234 1.00 0.00 H new ATOM 0 HA PHE A 69 0.872 29.397 -24.896 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.196 27.691 -26.201 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.925 28.864 -27.280 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.547 27.953 -26.135 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.050 28.948 -29.422 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.438 27.675 -27.716 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.844 28.658 -31.005 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.091 28.027 -30.150 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.139 31.727 -27.014 1.00 0.00 N ATOM 1080 CA GLN A 70 0.262 32.963 -27.686 1.00 0.00 C ATOM 1081 C GLN A 70 0.740 34.017 -26.681 1.00 0.00 C ATOM 1082 O GLN A 70 1.648 34.794 -26.977 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.863 33.492 -28.593 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.488 34.752 -29.388 1.00 0.00 C ATOM 1085 CD GLN A 70 0.703 34.546 -30.320 1.00 0.00 C ATOM 1086 OE1 GLN A 70 0.531 34.189 -31.482 1.00 0.00 O ATOM 1087 NE2 GLN A 70 1.917 34.781 -29.823 1.00 0.00 N ATOM 0 H GLN A 70 -1.114 31.471 -27.166 1.00 0.00 H new ATOM 0 HA GLN A 70 1.111 32.735 -28.330 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.151 32.707 -29.292 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.738 33.709 -27.980 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.349 35.072 -29.975 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.260 35.558 -28.691 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.022 35.076 -28.852 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.741 34.665 -30.413 1.00 0.00 H new ATOM 1096 N MET A 71 0.141 34.035 -25.490 1.00 0.00 N ATOM 1097 CA MET A 71 0.493 34.940 -24.415 1.00 0.00 C ATOM 1098 C MET A 71 1.754 34.407 -23.740 1.00 0.00 C ATOM 1099 O MET A 71 2.601 35.191 -23.332 1.00 0.00 O ATOM 1100 CB MET A 71 -0.675 35.128 -23.433 1.00 0.00 C ATOM 1101 CG MET A 71 -1.993 35.486 -24.140 1.00 0.00 C ATOM 1102 SD MET A 71 -3.113 36.560 -23.204 1.00 0.00 S ATOM 1103 CE MET A 71 -3.436 35.509 -21.771 1.00 0.00 C ATOM 0 H MET A 71 -0.621 33.401 -25.248 1.00 0.00 H new ATOM 0 HA MET A 71 0.699 35.935 -24.811 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.813 34.212 -22.859 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.423 35.915 -22.722 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.757 35.973 -25.086 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.519 34.562 -24.380 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.141 36.007 -21.106 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.859 34.561 -22.103 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.503 35.324 -21.238 1.00 0.00 H new ATOM 1113 N LEU A 72 1.915 33.081 -23.649 1.00 0.00 N ATOM 1114 CA LEU A 72 3.107 32.467 -23.092 1.00 0.00 C ATOM 1115 C LEU A 72 4.299 32.945 -23.921 1.00 0.00 C ATOM 1116 O LEU A 72 5.332 33.346 -23.385 1.00 0.00 O ATOM 1117 CB LEU A 72 2.928 30.935 -22.976 1.00 0.00 C ATOM 1118 CG LEU A 72 4.143 30.061 -23.312 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.282 30.176 -22.293 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.714 28.589 -23.331 1.00 0.00 C ATOM 0 H LEU A 72 1.215 32.409 -23.963 1.00 0.00 H new ATOM 0 HA LEU A 72 3.297 32.775 -22.064 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.619 30.707 -21.956 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.108 30.640 -23.631 1.00 0.00 H new ATOM 0 HG LEU A 72 4.507 30.410 -24.278 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.107 29.531 -22.595 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.627 31.209 -22.248 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.923 29.870 -21.310 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.574 27.963 -23.569 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.323 28.311 -22.352 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.940 28.445 -24.085 1.00 0.00 H new ATOM 1132 N LEU A 73 4.124 32.936 -25.242 1.00 0.00 N ATOM 1133 CA LEU A 73 5.158 33.373 -26.169 1.00 0.00 C ATOM 1134 C LEU A 73 5.447 34.864 -26.119 1.00 0.00 C ATOM 1135 O LEU A 73 6.516 35.286 -26.551 1.00 0.00 O ATOM 1136 CB LEU A 73 4.771 33.088 -27.617 1.00 0.00 C ATOM 1137 CG LEU A 73 4.506 31.641 -28.033 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.275 31.734 -29.535 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.635 30.677 -27.660 1.00 0.00 C ATOM 0 H LEU A 73 3.264 32.626 -25.695 1.00 0.00 H new ATOM 0 HA LEU A 73 6.037 32.812 -25.852 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.874 33.666 -27.840 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.566 33.475 -28.254 1.00 0.00 H new ATOM 0 HG LEU A 73 3.653 31.216 -27.504 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.075 30.740 -29.935 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.422 32.383 -29.732 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.163 32.146 -30.015 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.376 29.670 -27.987 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.558 30.991 -28.148 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.776 30.683 -26.579 1.00 0.00 H new ATOM 1151 N THR A 74 4.496 35.650 -25.623 1.00 0.00 N ATOM 1152 CA THR A 74 4.629 37.095 -25.533 1.00 0.00 C ATOM 1153 C THR A 74 5.172 37.475 -24.158 1.00 0.00 C ATOM 1154 O THR A 74 5.765 38.540 -23.997 1.00 0.00 O ATOM 1155 CB THR A 74 3.361 37.821 -26.005 1.00 0.00 C ATOM 1156 OG1 THR A 74 3.710 38.986 -26.726 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.459 38.237 -24.854 1.00 0.00 C ATOM 0 H THR A 74 3.606 35.297 -25.271 1.00 0.00 H new ATOM 0 HA THR A 74 5.376 37.457 -26.240 1.00 0.00 H new ATOM 0 HB THR A 74 2.818 37.114 -26.633 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.896 39.442 -27.025 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.579 38.745 -25.247 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.149 37.353 -24.297 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.002 38.911 -24.192 1.00 0.00 H new ATOM 1165 N LYS A 75 4.992 36.588 -23.172 1.00 0.00 N ATOM 1166 CA LYS A 75 5.483 36.803 -21.825 1.00 0.00 C ATOM 1167 C LYS A 75 7.001 36.619 -21.788 1.00 0.00 C ATOM 1168 O LYS A 75 7.703 37.384 -21.132 1.00 0.00 O ATOM 1169 CB LYS A 75 4.813 35.792 -20.893 1.00 0.00 C ATOM 1170 CG LYS A 75 4.644 36.266 -19.461 1.00 0.00 C ATOM 1171 CD LYS A 75 3.539 37.304 -19.207 1.00 0.00 C ATOM 1172 CE LYS A 75 2.126 36.793 -19.526 1.00 0.00 C ATOM 1173 NZ LYS A 75 1.107 37.812 -19.213 1.00 0.00 N ATOM 0 H LYS A 75 4.500 35.703 -23.296 1.00 0.00 H new ATOM 0 HA LYS A 75 5.248 37.817 -21.502 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.832 35.541 -21.296 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.401 34.875 -20.891 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.445 35.396 -18.835 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.592 36.688 -19.128 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.577 37.613 -18.162 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.740 38.190 -19.809 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.063 36.524 -20.580 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.926 35.887 -18.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.160 37.387 -19.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.261 38.173 -18.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.180 38.596 -19.892 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.162 14.061 -25.565 1.00 0.00 N ATOM 1589 CA LEU B 7 -3.985 13.562 -26.258 1.00 0.00 C ATOM 1590 C LEU B 7 -3.146 12.676 -25.357 1.00 0.00 C ATOM 1591 O LEU B 7 -2.587 11.709 -25.842 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.192 14.694 -26.938 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.537 15.848 -26.145 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.453 16.743 -25.327 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.339 15.462 -25.273 1.00 0.00 C ATOM 0 HA LEU B 7 -4.320 12.922 -27.074 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.395 14.216 -27.507 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.866 15.156 -27.659 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.188 16.434 -26.995 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.861 17.507 -24.824 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.178 17.221 -25.986 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -3.978 16.144 -24.583 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.960 16.348 -24.763 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.650 14.723 -24.534 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.554 15.040 -25.900 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.064 12.985 -24.063 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.246 12.258 -23.108 1.00 0.00 C ATOM 1609 C LEU B 8 -2.639 10.787 -22.964 1.00 0.00 C ATOM 1610 O LEU B 8 -1.858 10.003 -22.432 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.107 13.006 -21.780 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.435 14.405 -21.812 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.061 14.480 -22.507 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.397 15.544 -22.192 1.00 0.00 C ATOM 0 H LEU B 8 -3.576 13.763 -23.647 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.241 12.220 -23.528 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.103 13.121 -21.353 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.538 12.375 -21.097 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.178 14.578 -20.767 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.311 15.504 -22.468 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.641 13.820 -21.998 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.162 14.170 -23.547 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.857 16.491 -22.194 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.807 15.358 -23.185 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.210 15.591 -21.467 1.00 0.00 H new