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+ -174:sc= 2.49 (180deg=1.2) USER MOD Set 1.2: A 42 HIS : no HE2:sc= 1.31 K(o=3.8,f=-7.6!) USER MOD Single : A 17 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= 2.03 (180deg=1.43) USER MOD Single : A 25 GLN : amide:sc= 0.0859 X(o=0.086,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 45 ASN : amide:sc= 0.73 K(o=0.73,f=-0.71) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0281 USER MOD Single : A 52 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.19) USER MOD Single : A 58 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.37) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.77) 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= 0.0991 K(o=0.099,f=-0.52) USER MOD Single : A 71 MET CE :methyl 180:sc= -0.151 (180deg=-0.151) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.556 7.245 -14.035 1.00 0.00 N ATOM 205 CA GLU A 14 5.126 7.330 -13.763 1.00 0.00 C ATOM 206 C GLU A 14 4.801 8.565 -12.923 1.00 0.00 C ATOM 207 O GLU A 14 3.775 9.211 -13.126 1.00 0.00 O ATOM 208 CB GLU A 14 4.597 6.038 -13.119 1.00 0.00 C ATOM 209 CG GLU A 14 5.163 5.689 -11.736 1.00 0.00 C ATOM 210 CD GLU A 14 4.434 4.479 -11.153 1.00 0.00 C ATOM 211 OE1 GLU A 14 4.789 3.351 -11.553 1.00 0.00 O ATOM 212 OE2 GLU A 14 3.511 4.700 -10.337 1.00 0.00 O ATOM 0 HA GLU A 14 4.609 7.441 -14.716 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.513 6.116 -13.036 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.806 5.208 -13.794 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.229 5.476 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.057 6.543 -11.067 1.00 0.00 H new ATOM 219 N ALA A 15 5.688 8.899 -11.983 1.00 0.00 N ATOM 220 CA ALA A 15 5.536 10.044 -11.095 1.00 0.00 C ATOM 221 C ALA A 15 5.727 11.350 -11.863 1.00 0.00 C ATOM 222 O ALA A 15 5.064 12.349 -11.586 1.00 0.00 O ATOM 223 CB ALA A 15 6.560 9.963 -9.960 1.00 0.00 C ATOM 0 H ALA A 15 6.544 8.370 -11.818 1.00 0.00 H new ATOM 0 HA ALA A 15 4.529 10.026 -10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.440 10.822 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.403 9.045 -9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.567 9.964 -10.378 1.00 0.00 H new ATOM 229 N VAL A 16 6.647 11.327 -12.827 1.00 0.00 N ATOM 230 CA VAL A 16 6.971 12.480 -13.660 1.00 0.00 C ATOM 231 C VAL A 16 5.843 12.666 -14.664 1.00 0.00 C ATOM 232 O VAL A 16 5.450 13.794 -14.941 1.00 0.00 O ATOM 233 CB VAL A 16 8.363 12.325 -14.310 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.464 12.700 -15.790 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.452 12.983 -13.478 1.00 0.00 C ATOM 0 H VAL A 16 7.194 10.496 -13.052 1.00 0.00 H new ATOM 0 HA VAL A 16 7.044 13.386 -13.059 1.00 0.00 H new ATOM 0 HB VAL A 16 8.528 11.248 -14.311 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.487 12.550 -16.134 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.790 12.071 -16.371 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.187 13.746 -15.920 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.416 12.851 -13.970 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.239 14.047 -13.376 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.483 12.523 -12.490 1.00 0.00 H new ATOM 245 N GLN A 17 5.315 11.557 -15.193 1.00 0.00 N ATOM 246 CA GLN A 17 4.221 11.601 -16.148 1.00 0.00 C ATOM 247 C GLN A 17 2.982 12.132 -15.449 1.00 0.00 C ATOM 248 O GLN A 17 2.304 13.005 -15.987 1.00 0.00 O ATOM 249 CB GLN A 17 3.936 10.220 -16.765 1.00 0.00 C ATOM 250 CG GLN A 17 2.869 10.276 -17.875 1.00 0.00 C ATOM 251 CD GLN A 17 3.281 11.132 -19.069 1.00 0.00 C ATOM 252 OE1 GLN A 17 2.526 11.996 -19.504 1.00 0.00 O ATOM 253 NE2 GLN A 17 4.481 10.907 -19.605 1.00 0.00 N ATOM 0 H GLN A 17 5.636 10.615 -14.969 1.00 0.00 H new ATOM 0 HA GLN A 17 4.505 12.262 -16.967 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.860 9.811 -17.174 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.605 9.538 -15.982 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.659 9.263 -18.219 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.942 10.669 -17.458 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.084 10.181 -19.219 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.796 11.461 -20.401 1.00 0.00 H new ATOM 262 N LYS A 18 2.687 11.601 -14.256 1.00 0.00 N ATOM 263 CA LYS A 18 1.495 12.030 -13.541 1.00 0.00 C ATOM 264 C LYS A 18 1.596 13.490 -13.122 1.00 0.00 C ATOM 265 O LYS A 18 0.586 14.185 -13.163 1.00 0.00 O ATOM 266 CB LYS A 18 1.067 11.046 -12.443 1.00 0.00 C ATOM 267 CG LYS A 18 1.702 11.209 -11.055 1.00 0.00 C ATOM 268 CD LYS A 18 1.147 12.325 -10.150 1.00 0.00 C ATOM 269 CE LYS A 18 -0.388 12.380 -10.063 1.00 0.00 C ATOM 270 NZ LYS A 18 -0.951 13.483 -10.865 1.00 0.00 N ATOM 0 H LYS A 18 3.246 10.892 -13.781 1.00 0.00 H new ATOM 0 HA LYS A 18 0.653 11.998 -14.233 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.014 11.120 -12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.282 10.037 -12.794 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.600 10.262 -10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.769 11.385 -11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.550 12.193 -9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.511 13.285 -10.516 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.804 11.433 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.687 12.500 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.853 13.181 -11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.113 14.309 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.284 13.737 -11.622 1.00 0.00 H new ATOM 284 N PHE A 19 2.792 13.960 -12.742 1.00 0.00 N ATOM 285 CA PHE A 19 3.010 15.352 -12.368 1.00 0.00 C ATOM 286 C PHE A 19 2.877 16.247 -13.611 1.00 0.00 C ATOM 287 O PHE A 19 2.210 17.278 -13.571 1.00 0.00 O ATOM 288 CB PHE A 19 4.396 15.528 -11.720 1.00 0.00 C ATOM 289 CG PHE A 19 4.921 16.939 -11.887 1.00 0.00 C ATOM 290 CD1 PHE A 19 4.615 17.954 -10.960 1.00 0.00 C ATOM 291 CD2 PHE A 19 5.701 17.238 -13.017 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.094 19.262 -11.166 1.00 0.00 C ATOM 293 CE2 PHE A 19 6.162 18.542 -13.220 1.00 0.00 C ATOM 294 CZ PHE A 19 5.870 19.549 -12.304 1.00 0.00 C ATOM 0 H PHE A 19 3.630 13.382 -12.687 1.00 0.00 H new ATOM 0 HA PHE A 19 2.257 15.645 -11.637 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.334 15.287 -10.659 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.098 14.824 -12.167 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.013 17.729 -10.092 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.944 16.462 -13.727 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.867 20.041 -10.454 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.751 18.771 -14.096 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.239 20.551 -12.467 1.00 0.00 H new ATOM 304 N PHE A 20 3.528 15.847 -14.710 1.00 0.00 N ATOM 305 CA PHE A 20 3.525 16.584 -15.972 1.00 0.00 C ATOM 306 C PHE A 20 2.066 16.834 -16.369 1.00 0.00 C ATOM 307 O PHE A 20 1.663 17.963 -16.650 1.00 0.00 O ATOM 308 CB PHE A 20 4.305 15.773 -17.015 1.00 0.00 C ATOM 309 CG PHE A 20 4.183 16.183 -18.462 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.714 17.409 -18.891 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.556 15.326 -19.385 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.625 17.777 -20.241 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.470 15.693 -20.736 1.00 0.00 C ATOM 314 CZ PHE A 20 4.010 16.915 -21.162 1.00 0.00 C ATOM 0 H PHE A 20 4.079 14.989 -14.744 1.00 0.00 H new ATOM 0 HA PHE A 20 4.017 17.553 -15.888 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.360 15.808 -16.745 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.990 14.733 -16.934 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.191 18.069 -18.182 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.141 14.386 -19.053 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.029 18.722 -20.572 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.989 15.036 -21.446 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.952 17.194 -22.204 1.00 0.00 H new ATOM 324 N LEU A 21 1.264 15.762 -16.341 1.00 0.00 N ATOM 325 CA LEU A 21 -0.165 15.801 -16.616 1.00 0.00 C ATOM 326 C LEU A 21 -0.901 16.596 -15.542 1.00 0.00 C ATOM 327 O LEU A 21 -1.874 17.279 -15.853 1.00 0.00 O ATOM 328 CB LEU A 21 -0.714 14.364 -16.711 1.00 0.00 C ATOM 329 CG LEU A 21 -0.977 13.836 -18.135 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.174 12.317 -18.045 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.241 14.516 -18.663 1.00 0.00 C ATOM 0 H LEU A 21 1.605 14.826 -16.121 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.329 16.303 -17.569 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.009 13.693 -16.220 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.646 14.314 -16.148 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.148 14.050 -18.809 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.362 11.915 -19.040 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.276 11.857 -17.632 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.024 12.098 -17.398 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.451 14.160 -19.672 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.082 14.278 -18.011 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.092 15.596 -18.683 1.00 0.00 H new ATOM 343 N GLU A 22 -0.447 16.531 -14.287 1.00 0.00 N ATOM 344 CA GLU A 22 -1.061 17.289 -13.208 1.00 0.00 C ATOM 345 C GLU A 22 -1.025 18.776 -13.559 1.00 0.00 C ATOM 346 O GLU A 22 -1.994 19.467 -13.287 1.00 0.00 O ATOM 347 CB GLU A 22 -0.370 17.022 -11.859 1.00 0.00 C ATOM 348 CG GLU A 22 -1.231 17.404 -10.652 1.00 0.00 C ATOM 349 CD GLU A 22 -0.608 16.862 -9.370 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.687 15.629 -9.176 1.00 0.00 O ATOM 351 OE2 GLU A 22 -0.054 17.677 -8.601 1.00 0.00 O ATOM 0 H GLU A 22 0.346 15.958 -13.999 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.096 16.967 -13.098 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.113 15.965 -11.793 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.565 17.580 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.323 18.488 -10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.238 17.005 -10.773 1.00 0.00 H new ATOM 358 N GLU A 23 0.068 19.261 -14.166 1.00 0.00 N ATOM 359 CA GLU A 23 0.241 20.659 -14.548 1.00 0.00 C ATOM 360 C GLU A 23 -0.489 20.966 -15.848 1.00 0.00 C ATOM 361 O GLU A 23 -1.140 22.001 -15.934 1.00 0.00 O ATOM 362 CB GLU A 23 1.720 21.012 -14.676 1.00 0.00 C ATOM 363 CG GLU A 23 2.387 21.087 -13.300 1.00 0.00 C ATOM 364 CD GLU A 23 3.723 21.797 -13.430 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.519 21.335 -14.276 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.905 22.813 -12.720 1.00 0.00 O ATOM 0 H GLU A 23 0.868 18.677 -14.407 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.193 21.272 -13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.224 20.264 -15.288 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.826 21.968 -15.188 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.745 21.621 -12.600 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.532 20.084 -12.898 1.00 0.00 H new ATOM 373 N ILE A 24 -0.400 20.080 -16.849 1.00 0.00 N ATOM 374 CA ILE A 24 -1.122 20.264 -18.116 1.00 0.00 C ATOM 375 C ILE A 24 -2.607 20.514 -17.767 1.00 0.00 C ATOM 376 O ILE A 24 -3.239 21.452 -18.269 1.00 0.00 O ATOM 377 CB ILE A 24 -0.895 19.050 -19.096 1.00 0.00 C ATOM 378 CG1 ILE A 24 0.181 19.261 -20.202 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.183 18.478 -19.711 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.102 18.521 -21.516 1.00 0.00 C ATOM 0 H ILE A 24 0.163 19.231 -16.807 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.740 21.125 -18.664 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.489 18.304 -18.413 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.264 20.327 -20.411 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.148 18.935 -19.817 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.933 17.647 -20.371 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.840 18.125 -18.916 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.690 19.256 -20.282 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.698 18.725 -22.228 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.154 17.449 -21.326 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.051 18.863 -21.929 1.00 0.00 H new ATOM 392 N GLN A 25 -3.153 19.666 -16.882 1.00 0.00 N ATOM 393 CA GLN A 25 -4.554 19.730 -16.468 1.00 0.00 C ATOM 394 C GLN A 25 -4.839 20.864 -15.485 1.00 0.00 C ATOM 395 O GLN A 25 -5.777 21.630 -15.693 1.00 0.00 O ATOM 396 CB GLN A 25 -5.002 18.361 -15.918 1.00 0.00 C ATOM 397 CG GLN A 25 -4.877 17.174 -16.901 1.00 0.00 C ATOM 398 CD GLN A 25 -5.205 15.850 -16.225 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.204 15.210 -16.546 1.00 0.00 O ATOM 400 NE2 GLN A 25 -4.343 15.422 -15.303 1.00 0.00 N ATOM 0 H GLN A 25 -2.628 18.915 -16.434 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.147 19.963 -17.352 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.414 18.137 -15.028 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.042 18.439 -15.601 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.548 17.328 -17.746 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.864 17.138 -17.302 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.526 15.986 -15.067 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.500 14.530 -14.833 1.00 0.00 H new ATOM 409 N LEU A 26 -4.041 20.981 -14.422 1.00 0.00 N ATOM 410 CA LEU A 26 -4.179 22.025 -13.398 1.00 0.00 C ATOM 411 C LEU A 26 -4.159 23.389 -14.085 1.00 0.00 C ATOM 412 O LEU A 26 -5.007 24.232 -13.810 1.00 0.00 O ATOM 413 CB LEU A 26 -3.083 21.869 -12.325 1.00 0.00 C ATOM 414 CG LEU A 26 -2.906 22.902 -11.210 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.532 24.311 -11.672 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.141 22.924 -10.329 1.00 0.00 C ATOM 0 H LEU A 26 -3.266 20.343 -14.243 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.130 21.931 -12.874 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.247 20.906 -11.842 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.131 21.804 -12.851 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.038 22.572 -10.640 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.431 24.963 -10.805 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.586 24.278 -12.213 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.312 24.698 -12.328 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.010 23.661 -9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.012 23.188 -10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.290 21.939 -9.887 1.00 0.00 H new ATOM 428 N GLY A 27 -3.204 23.595 -14.998 1.00 0.00 N ATOM 429 CA GLY A 27 -3.077 24.821 -15.768 1.00 0.00 C ATOM 430 C GLY A 27 -4.353 25.031 -16.558 1.00 0.00 C ATOM 431 O GLY A 27 -5.039 26.015 -16.296 1.00 0.00 O ATOM 0 H GLY A 27 -2.491 22.900 -15.220 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.899 25.667 -15.105 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.222 24.758 -16.441 1.00 0.00 H new ATOM 435 N GLU A 28 -4.695 24.130 -17.499 1.00 0.00 N ATOM 436 CA GLU A 28 -5.940 24.317 -18.248 1.00 0.00 C ATOM 437 C GLU A 28 -7.136 24.670 -17.341 1.00 0.00 C ATOM 438 O GLU A 28 -7.909 25.571 -17.653 1.00 0.00 O ATOM 439 CB GLU A 28 -6.269 23.108 -19.129 1.00 0.00 C ATOM 440 CG GLU A 28 -7.224 23.586 -20.239 1.00 0.00 C ATOM 441 CD GLU A 28 -8.191 22.525 -20.734 1.00 0.00 C ATOM 442 OE1 GLU A 28 -8.608 21.681 -19.915 1.00 0.00 O ATOM 443 OE2 GLU A 28 -8.565 22.613 -21.922 1.00 0.00 O ATOM 0 H GLU A 28 -4.151 23.303 -17.747 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.765 25.173 -18.900 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.359 22.690 -19.560 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.734 22.319 -18.538 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.796 24.437 -19.868 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.632 23.943 -21.082 1.00 0.00 H new ATOM 450 N GLU A 29 -7.272 23.979 -16.210 1.00 0.00 N ATOM 451 CA GLU A 29 -8.337 24.209 -15.234 1.00 0.00 C ATOM 452 C GLU A 29 -8.258 25.622 -14.649 1.00 0.00 C ATOM 453 O GLU A 29 -9.270 26.312 -14.571 1.00 0.00 O ATOM 454 CB GLU A 29 -8.312 23.128 -14.146 1.00 0.00 C ATOM 455 CG GLU A 29 -9.328 23.376 -13.027 1.00 0.00 C ATOM 456 CD GLU A 29 -9.306 22.235 -12.018 1.00 0.00 C ATOM 457 OE1 GLU A 29 -8.310 22.161 -11.268 1.00 0.00 O ATOM 458 OE2 GLU A 29 -10.281 21.452 -12.025 1.00 0.00 O ATOM 0 H GLU A 29 -6.634 23.230 -15.941 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.297 24.136 -15.745 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.512 22.158 -14.602 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.312 23.078 -13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.101 24.317 -12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.327 23.474 -13.451 1.00 0.00 H new ATOM 465 N LEU A 30 -7.074 26.088 -14.243 1.00 0.00 N ATOM 466 CA LEU A 30 -6.934 27.439 -13.714 1.00 0.00 C ATOM 467 C LEU A 30 -7.325 28.441 -14.797 1.00 0.00 C ATOM 468 O LEU A 30 -8.001 29.428 -14.518 1.00 0.00 O ATOM 469 CB LEU A 30 -5.503 27.692 -13.205 1.00 0.00 C ATOM 470 CG LEU A 30 -5.240 27.384 -11.718 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.776 27.720 -11.410 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.115 28.227 -10.774 1.00 0.00 C ATOM 0 H LEU A 30 -6.207 25.551 -14.272 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.599 27.561 -12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.817 27.094 -13.804 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.256 28.738 -13.386 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.474 26.332 -11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.567 27.509 -10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.124 27.114 -12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.595 28.776 -11.611 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.888 27.969 -9.740 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.911 29.285 -10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.167 28.025 -10.976 1.00 0.00 H new ATOM 484 N LEU A 31 -6.934 28.178 -16.044 1.00 0.00 N ATOM 485 CA LEU A 31 -7.302 29.037 -17.167 1.00 0.00 C ATOM 486 C LEU A 31 -8.802 28.964 -17.400 1.00 0.00 C ATOM 487 O LEU A 31 -9.412 29.959 -17.785 1.00 0.00 O ATOM 488 CB LEU A 31 -6.510 28.620 -18.387 1.00 0.00 C ATOM 489 CG LEU A 31 -5.039 29.038 -18.264 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.431 29.201 -16.861 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.266 27.998 -19.053 1.00 0.00 C ATOM 0 H LEU A 31 -6.361 27.374 -16.301 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.060 30.077 -16.949 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.574 27.539 -18.513 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.946 29.072 -19.278 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.974 30.060 -18.638 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.386 29.499 -16.950 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.981 29.966 -16.313 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.494 28.254 -16.325 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.201 28.228 -19.013 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.440 27.012 -18.623 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.600 28.006 -20.090 1.00 0.00 H new ATOM 503 N ALA A 32 -9.398 27.806 -17.105 1.00 0.00 N ATOM 504 CA ALA A 32 -10.840 27.633 -17.161 1.00 0.00 C ATOM 505 C ALA A 32 -11.515 28.614 -16.194 1.00 0.00 C ATOM 506 O ALA A 32 -12.687 28.941 -16.371 1.00 0.00 O ATOM 507 CB ALA A 32 -11.251 26.181 -16.878 1.00 0.00 C ATOM 0 H ALA A 32 -8.890 26.968 -16.822 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.177 27.855 -18.173 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.336 26.093 -16.929 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.798 25.524 -17.620 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.910 25.894 -15.883 1.00 0.00 H new ATOM 513 N GLN A 33 -10.765 29.102 -15.192 1.00 0.00 N ATOM 514 CA GLN A 33 -11.216 30.087 -14.224 1.00 0.00 C ATOM 515 C GLN A 33 -10.839 31.472 -14.763 1.00 0.00 C ATOM 516 O GLN A 33 -11.605 32.424 -14.634 1.00 0.00 O ATOM 517 CB GLN A 33 -10.598 29.782 -12.850 1.00 0.00 C ATOM 518 CG GLN A 33 -11.656 29.772 -11.745 1.00 0.00 C ATOM 519 CD GLN A 33 -12.210 31.167 -11.467 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.632 31.922 -10.689 1.00 0.00 O ATOM 521 NE2 GLN A 33 -13.333 31.520 -12.091 1.00 0.00 N ATOM 0 H GLN A 33 -9.801 28.806 -15.038 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.297 30.057 -14.084 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.097 28.815 -12.883 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.837 30.528 -12.619 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.472 29.109 -12.031 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.221 29.366 -10.831 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.787 30.868 -12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.738 32.442 -11.929 1.00 0.00 H new ATOM 530 N GLY A 34 -9.662 31.551 -15.394 1.00 0.00 N ATOM 531 CA GLY A 34 -9.104 32.728 -16.041 1.00 0.00 C ATOM 532 C GLY A 34 -7.685 33.072 -15.589 1.00 0.00 C ATOM 533 O GLY A 34 -7.218 34.165 -15.905 1.00 0.00 O ATOM 0 H GLY A 34 -9.043 30.744 -15.467 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.103 32.571 -17.120 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.754 33.581 -15.844 1.00 0.00 H new ATOM 537 N ASP A 35 -6.988 32.187 -14.858 1.00 0.00 N ATOM 538 CA ASP A 35 -5.643 32.511 -14.357 1.00 0.00 C ATOM 539 C ASP A 35 -4.508 32.198 -15.345 1.00 0.00 C ATOM 540 O ASP A 35 -3.553 31.491 -15.029 1.00 0.00 O ATOM 541 CB ASP A 35 -5.440 31.904 -12.962 1.00 0.00 C ATOM 542 CG ASP A 35 -4.310 32.566 -12.174 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.617 33.434 -12.750 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.146 32.168 -11.001 1.00 0.00 O ATOM 0 H ASP A 35 -7.326 31.258 -14.604 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.586 33.595 -14.259 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.368 31.992 -12.397 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.228 30.840 -13.064 1.00 0.00 H new ATOM 549 N TYR A 36 -4.631 32.760 -16.552 1.00 0.00 N ATOM 550 CA TYR A 36 -3.728 32.684 -17.696 1.00 0.00 C ATOM 551 C TYR A 36 -2.259 32.780 -17.316 1.00 0.00 C ATOM 552 O TYR A 36 -1.433 32.014 -17.809 1.00 0.00 O ATOM 553 CB TYR A 36 -4.091 33.780 -18.709 1.00 0.00 C ATOM 554 CG TYR A 36 -5.575 33.956 -18.982 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.364 32.858 -19.376 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.173 35.222 -18.836 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.736 33.023 -19.622 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.547 35.388 -19.083 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.329 34.289 -19.475 1.00 0.00 C ATOM 560 OH TYR A 36 -9.661 34.455 -19.711 1.00 0.00 O ATOM 0 H TYR A 36 -5.446 33.334 -16.769 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.860 31.698 -18.141 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.691 34.728 -18.350 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.590 33.559 -19.652 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.911 31.884 -19.489 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.574 36.068 -18.533 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.336 32.177 -19.924 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.002 36.361 -18.971 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.905 35.392 -19.561 1.00 0.00 H new ATOM 570 N GLU A 37 -1.950 33.733 -16.444 1.00 0.00 N ATOM 571 CA GLU A 37 -0.589 33.979 -15.992 1.00 0.00 C ATOM 572 C GLU A 37 -0.002 32.757 -15.305 1.00 0.00 C ATOM 573 O GLU A 37 1.166 32.424 -15.505 1.00 0.00 O ATOM 574 CB GLU A 37 -0.497 35.241 -15.132 1.00 0.00 C ATOM 575 CG GLU A 37 -0.867 36.483 -15.955 1.00 0.00 C ATOM 576 CD GLU A 37 -0.164 37.725 -15.421 1.00 0.00 C ATOM 577 OE1 GLU A 37 1.041 37.858 -15.731 1.00 0.00 O ATOM 578 OE2 GLU A 37 -0.831 38.505 -14.710 1.00 0.00 O ATOM 0 H GLU A 37 -2.641 34.359 -16.030 1.00 0.00 H new ATOM 0 HA GLU A 37 0.024 34.165 -16.874 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.165 35.153 -14.275 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.514 35.347 -14.738 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.593 36.327 -16.998 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.946 36.633 -15.928 1.00 0.00 H new ATOM 585 N LYS A 38 -0.829 32.078 -14.516 1.00 0.00 N ATOM 586 CA LYS A 38 -0.421 30.865 -13.828 1.00 0.00 C ATOM 587 C LYS A 38 -0.313 29.725 -14.836 1.00 0.00 C ATOM 588 O LYS A 38 0.530 28.844 -14.678 1.00 0.00 O ATOM 589 CB LYS A 38 -1.385 30.541 -12.674 1.00 0.00 C ATOM 590 CG LYS A 38 -0.706 30.541 -11.298 1.00 0.00 C ATOM 591 CD LYS A 38 0.170 29.291 -11.175 1.00 0.00 C ATOM 592 CE LYS A 38 1.131 29.321 -9.986 1.00 0.00 C ATOM 593 NZ LYS A 38 2.019 28.141 -10.016 1.00 0.00 N ATOM 0 H LYS A 38 -1.795 32.354 -14.338 1.00 0.00 H new ATOM 0 HA LYS A 38 0.561 31.009 -13.377 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.196 31.270 -12.671 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.835 29.564 -12.849 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.100 31.439 -11.177 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.457 30.554 -10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.474 28.416 -11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.747 29.172 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.726 30.234 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.567 29.337 -9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.597 28.119 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.445 27.276 -10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.642 28.196 -10.847 1.00 0.00 H new ATOM 607 N GLY A 39 -1.137 29.746 -15.890 1.00 0.00 N ATOM 608 CA GLY A 39 -1.053 28.735 -16.927 1.00 0.00 C ATOM 609 C GLY A 39 0.273 28.846 -17.651 1.00 0.00 C ATOM 610 O GLY A 39 0.843 27.827 -18.014 1.00 0.00 O ATOM 0 H GLY A 39 -1.861 30.449 -16.039 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.155 27.743 -16.488 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.874 28.857 -17.633 1.00 0.00 H new ATOM 614 N VAL A 40 0.776 30.068 -17.859 1.00 0.00 N ATOM 615 CA VAL A 40 2.059 30.252 -18.525 1.00 0.00 C ATOM 616 C VAL A 40 3.143 29.560 -17.692 1.00 0.00 C ATOM 617 O VAL A 40 3.993 28.869 -18.245 1.00 0.00 O ATOM 618 CB VAL A 40 2.354 31.747 -18.795 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.787 31.955 -19.295 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.412 32.354 -19.852 1.00 0.00 C ATOM 0 H VAL A 40 0.315 30.933 -17.577 1.00 0.00 H new ATOM 0 HA VAL A 40 2.038 29.789 -19.511 1.00 0.00 H new ATOM 0 HB VAL A 40 2.202 32.245 -17.838 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.959 33.016 -19.474 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.490 31.595 -18.544 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.932 31.402 -20.223 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.663 33.404 -20.003 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.525 31.815 -20.793 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.380 32.273 -19.509 1.00 0.00 H new ATOM 630 N ASP A 41 3.101 29.726 -16.366 1.00 0.00 N ATOM 631 CA ASP A 41 4.055 29.123 -15.437 1.00 0.00 C ATOM 632 C ASP A 41 3.961 27.599 -15.455 1.00 0.00 C ATOM 633 O ASP A 41 4.960 26.908 -15.641 1.00 0.00 O ATOM 634 CB ASP A 41 3.835 29.669 -14.011 1.00 0.00 C ATOM 635 CG ASP A 41 4.426 28.762 -12.932 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.669 28.731 -12.817 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.617 28.120 -12.224 1.00 0.00 O ATOM 0 H ASP A 41 2.390 30.293 -15.903 1.00 0.00 H new ATOM 0 HA ASP A 41 5.059 29.395 -15.762 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.284 30.659 -13.933 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.766 29.789 -13.833 1.00 0.00 H new ATOM 642 N HIS A 42 2.754 27.081 -15.248 1.00 0.00 N ATOM 643 CA HIS A 42 2.505 25.647 -15.188 1.00 0.00 C ATOM 644 C HIS A 42 2.792 24.985 -16.519 1.00 0.00 C ATOM 645 O HIS A 42 3.274 23.854 -16.546 1.00 0.00 O ATOM 646 CB HIS A 42 1.098 25.328 -14.678 1.00 0.00 C ATOM 647 CG HIS A 42 1.020 25.397 -13.177 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.806 24.608 -12.350 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.255 26.155 -12.329 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.492 24.918 -11.084 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.549 25.861 -10.998 1.00 0.00 N ATOM 0 H HIS A 42 1.917 27.649 -15.117 1.00 0.00 H new ATOM 0 HA HIS A 42 3.199 25.227 -14.460 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.386 26.030 -15.112 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.807 24.332 -15.012 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.496 23.919 -12.650 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.477 26.882 -12.649 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.953 24.454 -10.224 1.00 0.00 H new ATOM 659 N LEU A 43 2.529 25.679 -17.628 1.00 0.00 N ATOM 660 CA LEU A 43 2.849 25.083 -18.903 1.00 0.00 C ATOM 661 C LEU A 43 4.371 25.097 -19.001 1.00 0.00 C ATOM 662 O LEU A 43 4.956 24.076 -19.343 1.00 0.00 O ATOM 663 CB LEU A 43 2.160 25.780 -20.084 1.00 0.00 C ATOM 664 CG LEU A 43 1.848 24.737 -21.169 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.484 24.077 -20.909 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.782 25.389 -22.550 1.00 0.00 C ATOM 0 H LEU A 43 2.115 26.610 -17.662 1.00 0.00 H new ATOM 0 HA LEU A 43 2.468 24.063 -18.961 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.241 26.264 -19.752 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.804 26.562 -20.487 1.00 0.00 H new ATOM 0 HG LEU A 43 2.646 23.995 -21.138 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.281 23.342 -21.688 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.498 23.582 -19.938 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.296 24.838 -20.917 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.560 24.630 -23.300 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.999 26.147 -22.557 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.740 25.856 -22.778 1.00 0.00 H new ATOM 678 N THR A 44 5.020 26.225 -18.667 1.00 0.00 N ATOM 679 CA THR A 44 6.484 26.314 -18.716 1.00 0.00 C ATOM 680 C THR A 44 7.123 25.158 -17.931 1.00 0.00 C ATOM 681 O THR A 44 8.128 24.575 -18.341 1.00 0.00 O ATOM 682 CB THR A 44 7.006 27.681 -18.245 1.00 0.00 C ATOM 683 OG1 THR A 44 6.575 28.680 -19.143 1.00 0.00 O ATOM 684 CG2 THR A 44 8.538 27.714 -18.241 1.00 0.00 C ATOM 0 H THR A 44 4.556 27.081 -18.363 1.00 0.00 H new ATOM 0 HA THR A 44 6.781 26.220 -19.760 1.00 0.00 H new ATOM 0 HB THR A 44 6.626 27.852 -17.238 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.638 28.902 -18.961 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.880 28.692 -17.904 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.917 26.945 -17.567 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.909 27.528 -19.249 1.00 0.00 H new ATOM 692 N ASN A 45 6.510 24.826 -16.798 1.00 0.00 N ATOM 693 CA ASN A 45 6.946 23.756 -15.913 1.00 0.00 C ATOM 694 C ASN A 45 6.785 22.416 -16.631 1.00 0.00 C ATOM 695 O ASN A 45 7.689 21.575 -16.596 1.00 0.00 O ATOM 696 CB ASN A 45 6.157 23.774 -14.605 1.00 0.00 C ATOM 697 CG ASN A 45 6.328 25.031 -13.762 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.251 25.815 -13.967 1.00 0.00 O ATOM 699 ND2 ASN A 45 5.419 25.217 -12.805 1.00 0.00 N ATOM 0 H ASN A 45 5.675 25.308 -16.464 1.00 0.00 H new ATOM 0 HA ASN A 45 7.996 23.904 -15.661 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.099 23.652 -14.836 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.455 22.912 -14.008 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.472 26.040 -12.204 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.670 24.537 -12.674 1.00 0.00 H new ATOM 706 N ALA A 46 5.645 22.228 -17.311 1.00 0.00 N ATOM 707 CA ALA A 46 5.384 21.019 -18.070 1.00 0.00 C ATOM 708 C ALA A 46 6.547 20.813 -19.058 1.00 0.00 C ATOM 709 O ALA A 46 7.106 19.721 -19.149 1.00 0.00 O ATOM 710 CB ALA A 46 3.981 21.074 -18.700 1.00 0.00 C ATOM 0 H ALA A 46 4.889 22.911 -17.344 1.00 0.00 H new ATOM 0 HA ALA A 46 5.356 20.134 -17.434 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.800 20.160 -19.266 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.232 21.168 -17.913 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.915 21.933 -19.368 1.00 0.00 H new ATOM 716 N ILE A 47 6.954 21.880 -19.763 1.00 0.00 N ATOM 717 CA ILE A 47 8.093 21.832 -20.685 1.00 0.00 C ATOM 718 C ILE A 47 9.395 21.509 -19.953 1.00 0.00 C ATOM 719 O ILE A 47 10.251 20.813 -20.497 1.00 0.00 O ATOM 720 CB ILE A 47 8.268 23.147 -21.489 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.177 23.360 -22.565 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.671 23.258 -22.120 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.872 23.886 -21.980 1.00 0.00 C ATOM 0 H ILE A 47 6.504 22.794 -19.709 1.00 0.00 H new ATOM 0 HA ILE A 47 7.868 21.032 -21.390 1.00 0.00 H new ATOM 0 HB ILE A 47 8.153 23.945 -20.756 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.543 24.061 -23.315 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.987 22.416 -23.077 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.748 24.194 -22.673 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.426 23.238 -21.334 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.832 22.421 -22.799 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.142 24.017 -22.779 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.487 23.174 -21.250 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.052 24.844 -21.492 1.00 0.00 H new ATOM 735 N ALA A 48 9.556 22.035 -18.741 1.00 0.00 N ATOM 736 CA ALA A 48 10.763 21.874 -17.947 1.00 0.00 C ATOM 737 C ALA A 48 10.999 20.421 -17.588 1.00 0.00 C ATOM 738 O ALA A 48 12.147 19.999 -17.471 1.00 0.00 O ATOM 739 CB ALA A 48 10.748 22.759 -16.698 1.00 0.00 C ATOM 0 H ALA A 48 8.838 22.593 -18.279 1.00 0.00 H new ATOM 0 HA ALA A 48 11.598 22.204 -18.565 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.668 22.607 -16.134 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.672 23.805 -16.994 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.893 22.495 -16.075 1.00 0.00 H new ATOM 745 N VAL A 49 9.912 19.661 -17.432 1.00 0.00 N ATOM 746 CA VAL A 49 10.011 18.257 -17.092 1.00 0.00 C ATOM 747 C VAL A 49 9.851 17.371 -18.327 1.00 0.00 C ATOM 748 O VAL A 49 10.222 16.201 -18.274 1.00 0.00 O ATOM 749 CB VAL A 49 9.022 17.927 -15.972 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.234 18.905 -14.812 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.546 17.940 -16.382 1.00 0.00 C ATOM 0 H VAL A 49 8.957 20.003 -17.538 1.00 0.00 H new ATOM 0 HA VAL A 49 11.011 18.044 -16.713 1.00 0.00 H new ATOM 0 HB VAL A 49 9.235 16.898 -15.683 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.532 18.676 -14.010 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.254 18.812 -14.439 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.067 19.924 -15.160 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.927 17.694 -15.519 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.279 18.931 -16.750 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.380 17.204 -17.169 1.00 0.00 H new ATOM 761 N CYS A 50 9.325 17.911 -19.436 1.00 0.00 N ATOM 762 CA CYS A 50 9.163 17.133 -20.659 1.00 0.00 C ATOM 763 C CYS A 50 10.440 17.173 -21.500 1.00 0.00 C ATOM 764 O CYS A 50 10.944 16.126 -21.900 1.00 0.00 O ATOM 765 CB CYS A 50 7.936 17.619 -21.424 1.00 0.00 C ATOM 766 SG CYS A 50 7.802 16.780 -23.020 1.00 0.00 S ATOM 0 H CYS A 50 9.008 18.878 -19.505 1.00 0.00 H new ATOM 0 HA CYS A 50 8.994 16.086 -20.405 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.038 17.435 -20.835 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.001 18.696 -21.578 1.00 0.00 H new ATOM 0 HG CYS A 50 6.749 17.210 -23.649 1.00 0.00 H new ATOM 772 N GLY A 51 10.967 18.373 -21.771 1.00 0.00 N ATOM 773 CA GLY A 51 12.183 18.548 -22.556 1.00 0.00 C ATOM 774 C GLY A 51 11.935 18.486 -24.067 1.00 0.00 C ATOM 775 O GLY A 51 12.885 18.513 -24.846 1.00 0.00 O ATOM 0 H GLY A 51 10.557 19.249 -21.449 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.635 19.508 -22.307 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.902 17.776 -22.279 1.00 0.00 H new ATOM 779 N GLN A 52 10.665 18.418 -24.480 1.00 0.00 N ATOM 780 CA GLN A 52 10.235 18.376 -25.872 1.00 0.00 C ATOM 781 C GLN A 52 9.113 19.408 -26.009 1.00 0.00 C ATOM 782 O GLN A 52 7.969 19.036 -26.279 1.00 0.00 O ATOM 783 CB GLN A 52 9.808 16.938 -26.213 1.00 0.00 C ATOM 784 CG GLN A 52 9.684 16.722 -27.726 1.00 0.00 C ATOM 785 CD GLN A 52 11.025 16.794 -28.447 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.244 17.689 -29.260 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.928 15.860 -28.156 1.00 0.00 N ATOM 0 H GLN A 52 9.883 18.390 -23.826 1.00 0.00 H new ATOM 0 HA GLN A 52 11.023 18.631 -26.581 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.536 16.237 -25.805 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.853 16.720 -25.736 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.228 15.750 -27.913 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.013 17.474 -28.142 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.708 15.133 -27.475 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.839 15.871 -28.614 1.00 0.00 H new ATOM 796 N PRO A 53 9.412 20.707 -25.811 1.00 0.00 N ATOM 797 CA PRO A 53 8.414 21.756 -25.884 1.00 0.00 C ATOM 798 C PRO A 53 7.590 21.738 -27.160 1.00 0.00 C ATOM 799 O PRO A 53 6.369 21.738 -27.099 1.00 0.00 O ATOM 800 CB PRO A 53 9.166 23.089 -25.759 1.00 0.00 C ATOM 801 CG PRO A 53 10.629 22.733 -26.009 1.00 0.00 C ATOM 802 CD PRO A 53 10.707 21.304 -25.485 1.00 0.00 C ATOM 0 HA PRO A 53 7.693 21.606 -25.081 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.806 23.817 -26.486 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.029 23.530 -24.772 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.888 22.794 -27.066 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.307 23.400 -25.476 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.523 20.756 -25.955 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.889 21.288 -24.410 1.00 0.00 H new ATOM 810 N GLN A 54 8.270 21.755 -28.301 1.00 0.00 N ATOM 811 CA GLN A 54 7.653 21.830 -29.615 1.00 0.00 C ATOM 812 C GLN A 54 6.649 20.710 -29.855 1.00 0.00 C ATOM 813 O GLN A 54 5.535 20.994 -30.292 1.00 0.00 O ATOM 814 CB GLN A 54 8.730 21.916 -30.710 1.00 0.00 C ATOM 815 CG GLN A 54 9.726 23.077 -30.515 1.00 0.00 C ATOM 816 CD GLN A 54 10.546 23.308 -31.782 1.00 0.00 C ATOM 817 OE1 GLN A 54 10.290 24.248 -32.529 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.534 22.449 -32.038 1.00 0.00 N ATOM 0 H GLN A 54 9.289 21.716 -28.336 1.00 0.00 H new ATOM 0 HA GLN A 54 7.068 22.749 -29.658 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.282 20.977 -30.737 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.242 22.027 -31.678 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.184 23.987 -30.256 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.392 22.854 -29.681 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.719 21.679 -31.396 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.104 22.562 -32.876 1.00 0.00 H new ATOM 827 N GLN A 55 7.006 19.453 -29.562 1.00 0.00 N ATOM 828 CA GLN A 55 6.059 18.356 -29.749 1.00 0.00 C ATOM 829 C GLN A 55 4.800 18.642 -28.938 1.00 0.00 C ATOM 830 O GLN A 55 3.686 18.478 -29.430 1.00 0.00 O ATOM 831 CB GLN A 55 6.663 16.989 -29.392 1.00 0.00 C ATOM 832 CG GLN A 55 5.708 15.825 -29.699 1.00 0.00 C ATOM 833 CD GLN A 55 5.270 15.775 -31.162 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.086 15.891 -31.464 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.221 15.606 -32.078 1.00 0.00 N ATOM 0 H GLN A 55 7.921 19.178 -29.204 1.00 0.00 H new ATOM 0 HA GLN A 55 5.804 18.298 -30.807 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.591 16.849 -29.947 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.920 16.974 -28.333 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.196 14.885 -29.440 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.825 15.911 -29.065 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.195 15.513 -31.791 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.975 15.569 -33.067 1.00 0.00 H new ATOM 844 N LEU A 56 4.990 19.095 -27.698 1.00 0.00 N ATOM 845 CA LEU A 56 3.880 19.433 -26.837 1.00 0.00 C ATOM 846 C LEU A 56 3.084 20.605 -27.417 1.00 0.00 C ATOM 847 O LEU A 56 1.861 20.567 -27.407 1.00 0.00 O ATOM 848 CB LEU A 56 4.343 19.674 -25.390 1.00 0.00 C ATOM 849 CG LEU A 56 3.178 19.862 -24.403 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.346 18.579 -24.214 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.753 20.329 -23.062 1.00 0.00 C ATOM 0 H LEU A 56 5.908 19.233 -27.276 1.00 0.00 H new ATOM 0 HA LEU A 56 3.201 18.582 -26.795 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.953 18.831 -25.066 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.980 20.558 -25.362 1.00 0.00 H new ATOM 0 HG LEU A 56 2.497 20.609 -24.812 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.538 18.770 -23.508 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.926 18.274 -25.172 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.985 17.785 -23.828 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.942 20.468 -22.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.446 19.579 -22.682 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.280 21.273 -23.201 1.00 0.00 H new ATOM 863 N LEU A 57 3.732 21.650 -27.938 1.00 0.00 N ATOM 864 CA LEU A 57 2.979 22.774 -28.497 1.00 0.00 C ATOM 865 C LEU A 57 2.127 22.305 -29.683 1.00 0.00 C ATOM 866 O LEU A 57 0.988 22.747 -29.836 1.00 0.00 O ATOM 867 CB LEU A 57 3.855 24.011 -28.778 1.00 0.00 C ATOM 868 CG LEU A 57 4.758 24.482 -27.611 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.221 25.926 -27.826 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.127 24.380 -26.209 1.00 0.00 C ATOM 0 H LEU A 57 4.747 21.741 -27.984 1.00 0.00 H new ATOM 0 HA LEU A 57 2.282 23.132 -27.739 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.489 23.795 -29.638 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.203 24.837 -29.063 1.00 0.00 H new ATOM 0 HG LEU A 57 5.597 23.786 -27.631 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.854 26.233 -26.993 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.787 25.992 -28.755 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.352 26.582 -27.883 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.839 24.733 -25.463 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.226 24.993 -26.170 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.869 23.342 -26.001 1.00 0.00 H new ATOM 882 N GLN A 58 2.646 21.371 -30.490 1.00 0.00 N ATOM 883 CA GLN A 58 1.876 20.804 -31.588 1.00 0.00 C ATOM 884 C GLN A 58 0.687 20.047 -30.994 1.00 0.00 C ATOM 885 O GLN A 58 -0.441 20.210 -31.455 1.00 0.00 O ATOM 886 CB GLN A 58 2.732 19.884 -32.475 1.00 0.00 C ATOM 887 CG GLN A 58 3.820 20.632 -33.256 1.00 0.00 C ATOM 888 CD GLN A 58 3.271 21.834 -34.013 1.00 0.00 C ATOM 889 OE1 GLN A 58 3.571 22.974 -33.674 1.00 0.00 O ATOM 890 NE2 GLN A 58 2.445 21.587 -35.030 1.00 0.00 N ATOM 0 H GLN A 58 3.591 20.998 -30.399 1.00 0.00 H new ATOM 0 HA GLN A 58 1.524 21.608 -32.234 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.201 19.123 -31.851 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.083 19.363 -33.179 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.595 20.964 -32.566 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.293 19.948 -33.961 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.220 20.625 -35.282 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.039 22.360 -35.556 1.00 0.00 H new ATOM 899 N VAL A 59 0.940 19.236 -29.961 1.00 0.00 N ATOM 900 CA VAL A 59 -0.092 18.460 -29.286 1.00 0.00 C ATOM 901 C VAL A 59 -1.193 19.363 -28.729 1.00 0.00 C ATOM 902 O VAL A 59 -2.369 19.018 -28.808 1.00 0.00 O ATOM 903 CB VAL A 59 0.500 17.454 -28.276 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.370 17.738 -26.766 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.119 16.107 -28.525 1.00 0.00 C ATOM 0 H VAL A 59 1.873 19.103 -29.572 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.587 17.832 -30.026 1.00 0.00 H new ATOM 0 HB VAL A 59 1.570 17.527 -28.470 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.839 16.932 -26.202 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.863 18.681 -26.529 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.684 17.802 -26.497 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.289 15.383 -27.819 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.199 16.173 -28.394 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.104 15.787 -29.543 1.00 0.00 H new ATOM 915 N LEU A 60 -0.822 20.541 -28.218 1.00 0.00 N ATOM 916 CA LEU A 60 -1.762 21.501 -27.653 1.00 0.00 C ATOM 917 C LEU A 60 -2.473 22.270 -28.765 1.00 0.00 C ATOM 918 O LEU A 60 -3.579 22.741 -28.531 1.00 0.00 O ATOM 919 CB LEU A 60 -0.985 22.536 -26.816 1.00 0.00 C ATOM 920 CG LEU A 60 -0.767 22.222 -25.329 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.990 22.639 -24.497 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.492 20.755 -25.008 1.00 0.00 C ATOM 0 H LEU A 60 0.149 20.853 -28.187 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.485 20.955 -27.047 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.008 22.677 -27.277 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.511 23.488 -26.886 1.00 0.00 H new ATOM 0 HG LEU A 60 0.125 22.793 -25.074 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.812 22.407 -23.447 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.158 23.710 -24.608 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.869 22.096 -24.845 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.352 20.638 -23.933 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.336 20.147 -25.333 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.409 20.431 -25.528 1.00 0.00 H new ATOM 934 N GLN A 61 -1.887 22.387 -29.961 1.00 0.00 N ATOM 935 CA GLN A 61 -2.519 23.082 -31.082 1.00 0.00 C ATOM 936 C GLN A 61 -3.494 22.141 -31.804 1.00 0.00 C ATOM 937 O GLN A 61 -4.260 22.580 -32.660 1.00 0.00 O ATOM 938 CB GLN A 61 -1.420 23.639 -32.015 1.00 0.00 C ATOM 939 CG GLN A 61 -1.897 24.235 -33.354 1.00 0.00 C ATOM 940 CD GLN A 61 -0.770 24.932 -34.118 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.392 24.883 -33.724 1.00 0.00 O ATOM 942 NE2 GLN A 61 -1.112 25.582 -35.228 1.00 0.00 N ATOM 0 H GLN A 61 -0.966 22.004 -30.176 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.109 23.926 -30.725 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.871 24.410 -31.474 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.715 22.836 -32.230 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.315 23.441 -33.973 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.699 24.948 -33.166 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.087 25.603 -35.527 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.399 26.059 -35.780 1.00 0.00 H new ATOM 951 N GLN A 62 -3.456 20.845 -31.470 1.00 0.00 N ATOM 952 CA GLN A 62 -4.259 19.800 -32.077 1.00 0.00 C ATOM 953 C GLN A 62 -5.550 19.517 -31.310 1.00 0.00 C ATOM 954 O GLN A 62 -6.558 19.173 -31.924 1.00 0.00 O ATOM 955 CB GLN A 62 -3.386 18.545 -32.143 1.00 0.00 C ATOM 956 CG GLN A 62 -3.846 17.591 -33.237 1.00 0.00 C ATOM 957 CD GLN A 62 -3.109 16.256 -33.168 1.00 0.00 C ATOM 958 OE1 GLN A 62 -3.734 15.202 -33.090 1.00 0.00 O ATOM 959 NE2 GLN A 62 -1.775 16.288 -33.187 1.00 0.00 N ATOM 0 H GLN A 62 -2.838 20.492 -30.740 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.575 20.123 -33.069 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.350 18.832 -32.324 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.412 18.034 -31.181 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.918 17.420 -33.144 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.680 18.048 -34.212 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.287 17.181 -33.253 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.243 15.419 -33.136 1.00 0.00 H new ATOM 968 N THR A 63 -5.533 19.649 -29.977 1.00 0.00 N ATOM 969 CA THR A 63 -6.711 19.361 -29.165 1.00 0.00 C ATOM 970 C THR A 63 -7.706 20.521 -29.198 1.00 0.00 C ATOM 971 O THR A 63 -8.908 20.292 -29.328 1.00 0.00 O ATOM 972 CB THR A 63 -6.319 18.925 -27.746 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.456 18.839 -26.912 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.261 19.813 -27.096 1.00 0.00 C ATOM 0 H THR A 63 -4.718 19.952 -29.445 1.00 0.00 H new ATOM 0 HA THR A 63 -7.232 18.510 -29.603 1.00 0.00 H new ATOM 0 HB THR A 63 -5.869 17.939 -27.859 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.182 18.558 -26.014 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.038 19.441 -26.096 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.354 19.799 -27.700 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.635 20.834 -27.027 1.00 0.00 H new ATOM 982 N LEU A 64 -7.205 21.752 -29.105 1.00 0.00 N ATOM 983 CA LEU A 64 -8.004 22.976 -29.149 1.00 0.00 C ATOM 984 C LEU A 64 -7.058 24.155 -29.382 1.00 0.00 C ATOM 985 O LEU A 64 -5.899 24.055 -29.000 1.00 0.00 O ATOM 986 CB LEU A 64 -8.912 23.127 -27.903 1.00 0.00 C ATOM 987 CG LEU A 64 -8.301 23.429 -26.520 1.00 0.00 C ATOM 988 CD1 LEU A 64 -7.231 22.433 -26.094 1.00 0.00 C ATOM 989 CD2 LEU A 64 -7.739 24.844 -26.361 1.00 0.00 C ATOM 0 H LEU A 64 -6.207 21.930 -28.994 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.709 22.938 -29.980 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.626 23.922 -28.120 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.483 22.203 -27.807 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.165 23.334 -25.862 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.847 22.709 -25.112 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.663 21.433 -26.047 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.416 22.443 -26.818 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.331 24.963 -25.357 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.950 25.007 -27.095 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.535 25.572 -26.518 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.494 25.263 -30.003 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.634 26.413 -30.253 1.00 0.00 C ATOM 1003 C PRO A 65 -6.303 27.084 -28.910 1.00 0.00 C ATOM 1004 O PRO A 65 -7.221 27.561 -28.250 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.441 27.327 -31.181 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.897 26.980 -30.867 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.836 25.494 -30.509 1.00 0.00 C ATOM 0 HA PRO A 65 -5.682 26.155 -30.717 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.231 28.379 -30.987 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.204 27.142 -32.229 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.284 27.577 -30.041 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.547 27.161 -31.723 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.585 25.242 -29.759 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.037 24.873 -31.382 1.00 0.00 H new ATOM 1015 N PRO A 66 -5.030 27.115 -28.478 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.610 27.680 -27.203 1.00 0.00 C ATOM 1017 C PRO A 66 -4.362 29.197 -27.282 1.00 0.00 C ATOM 1018 O PRO A 66 -3.358 29.618 -27.852 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.342 26.890 -26.871 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.688 26.671 -28.238 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.883 26.554 -29.181 1.00 0.00 C ATOM 0 HA PRO A 66 -5.374 27.591 -26.430 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.688 27.445 -26.198 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.575 25.944 -26.382 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.039 27.503 -28.512 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.075 25.770 -28.251 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.697 27.093 -30.110 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.064 25.513 -29.448 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.231 30.047 -26.703 1.00 0.00 N ATOM 1030 CA PRO A 67 -5.035 31.493 -26.704 1.00 0.00 C ATOM 1031 C PRO A 67 -4.057 31.924 -25.611 1.00 0.00 C ATOM 1032 O PRO A 67 -3.589 33.058 -25.616 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.417 32.069 -26.418 1.00 0.00 C ATOM 1034 CG PRO A 67 -7.004 31.045 -25.448 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.456 29.721 -25.982 1.00 0.00 C ATOM 0 HA PRO A 67 -4.615 31.839 -27.649 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.359 33.063 -25.974 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.015 32.159 -27.325 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.685 31.230 -24.422 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.094 31.063 -25.452 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.254 29.026 -25.167 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.178 29.238 -26.640 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.754 31.014 -24.684 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.818 31.216 -23.588 1.00 0.00 C ATOM 1045 C VAL A 68 -1.408 31.052 -24.135 1.00 0.00 C ATOM 1046 O VAL A 68 -0.548 31.883 -23.868 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.099 30.227 -22.449 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.921 30.220 -21.471 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.393 30.653 -21.750 1.00 0.00 C ATOM 0 H VAL A 68 -4.172 30.083 -24.680 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.931 32.217 -23.172 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.217 29.216 -22.838 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.123 29.517 -20.663 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.014 29.919 -21.996 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.786 31.219 -21.057 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.611 29.962 -20.936 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.276 31.660 -21.350 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.215 30.641 -22.466 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.191 29.982 -24.903 1.00 0.00 N ATOM 1060 CA PHE A 69 0.073 29.656 -25.565 1.00 0.00 C ATOM 1061 C PHE A 69 0.758 30.904 -26.127 1.00 0.00 C ATOM 1062 O PHE A 69 1.929 31.144 -25.848 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.211 28.606 -26.647 1.00 0.00 C ATOM 1064 CG PHE A 69 0.590 28.674 -27.930 1.00 0.00 C ATOM 1065 CD1 PHE A 69 1.842 28.046 -28.034 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.060 29.372 -29.032 1.00 0.00 C ATOM 1067 CE1 PHE A 69 2.559 28.121 -29.244 1.00 0.00 C ATOM 1068 CE2 PHE A 69 0.777 29.447 -30.236 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.028 28.820 -30.343 1.00 0.00 C ATOM 0 H PHE A 69 -1.920 29.292 -25.088 1.00 0.00 H new ATOM 0 HA PHE A 69 0.775 29.243 -24.841 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.053 27.621 -26.207 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.267 28.673 -26.909 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.252 27.509 -27.192 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.904 29.852 -28.950 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.522 27.639 -29.328 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.367 29.986 -31.078 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.582 28.874 -31.268 1.00 0.00 H new ATOM 1079 N GLN A 70 0.028 31.704 -26.904 1.00 0.00 N ATOM 1080 CA GLN A 70 0.566 32.923 -27.514 1.00 0.00 C ATOM 1081 C GLN A 70 1.049 33.930 -26.460 1.00 0.00 C ATOM 1082 O GLN A 70 2.028 34.642 -26.679 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.431 33.547 -28.506 1.00 0.00 C ATOM 1084 CG GLN A 70 -1.793 33.818 -27.861 1.00 0.00 C ATOM 1085 CD GLN A 70 -2.808 34.474 -28.787 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -2.505 34.830 -29.922 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -4.032 34.631 -28.284 1.00 0.00 N ATOM 0 H GLN A 70 -0.951 31.527 -27.129 1.00 0.00 H new ATOM 0 HA GLN A 70 1.446 32.635 -28.089 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -0.021 34.480 -28.892 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.560 32.879 -29.358 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.205 32.875 -27.500 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.648 34.457 -26.990 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.237 34.319 -27.335 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -4.764 35.063 -28.848 1.00 0.00 H new ATOM 1096 N MET A 71 0.377 33.973 -25.306 1.00 0.00 N ATOM 1097 CA MET A 71 0.723 34.835 -24.191 1.00 0.00 C ATOM 1098 C MET A 71 1.912 34.215 -23.461 1.00 0.00 C ATOM 1099 O MET A 71 2.752 34.944 -22.952 1.00 0.00 O ATOM 1100 CB MET A 71 -0.480 35.087 -23.266 1.00 0.00 C ATOM 1101 CG MET A 71 -1.732 35.584 -24.013 1.00 0.00 C ATOM 1102 SD MET A 71 -2.943 36.487 -23.010 1.00 0.00 S ATOM 1103 CE MET A 71 -3.444 35.182 -21.866 1.00 0.00 C ATOM 0 H MET A 71 -0.442 33.392 -25.125 1.00 0.00 H new ATOM 0 HA MET A 71 1.008 35.821 -24.558 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.723 34.165 -22.739 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.201 35.822 -22.511 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.412 36.230 -24.831 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.229 34.724 -24.462 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.191 35.571 -21.174 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.868 34.349 -22.427 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.576 34.837 -21.305 1.00 0.00 H new ATOM 1113 N LEU A 72 2.035 32.881 -23.442 1.00 0.00 N ATOM 1114 CA LEU A 72 3.190 32.216 -22.862 1.00 0.00 C ATOM 1115 C LEU A 72 4.406 32.661 -23.668 1.00 0.00 C ATOM 1116 O LEU A 72 5.445 33.005 -23.107 1.00 0.00 O ATOM 1117 CB LEU A 72 2.977 30.683 -22.830 1.00 0.00 C ATOM 1118 CG LEU A 72 4.181 29.805 -23.212 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.267 29.803 -22.129 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.701 28.364 -23.406 1.00 0.00 C ATOM 0 H LEU A 72 1.338 32.244 -23.827 1.00 0.00 H new ATOM 0 HA LEU A 72 3.345 32.493 -21.819 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.660 30.405 -21.825 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.154 30.441 -23.502 1.00 0.00 H new ATOM 0 HG LEU A 72 4.610 30.215 -24.126 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.095 29.169 -22.446 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.627 30.820 -21.973 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.851 29.419 -21.198 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.547 27.732 -23.677 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.259 28.000 -22.479 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.955 28.333 -24.200 1.00 0.00 H new ATOM 1132 N LEU A 73 4.255 32.674 -24.993 1.00 0.00 N ATOM 1133 CA LEU A 73 5.341 33.076 -25.875 1.00 0.00 C ATOM 1134 C LEU A 73 5.722 34.540 -25.722 1.00 0.00 C ATOM 1135 O LEU A 73 6.872 34.897 -25.962 1.00 0.00 O ATOM 1136 CB LEU A 73 5.026 32.820 -27.353 1.00 0.00 C ATOM 1137 CG LEU A 73 4.647 31.396 -27.780 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.474 31.449 -29.295 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.662 30.323 -27.375 1.00 0.00 C ATOM 0 H LEU A 73 3.394 32.411 -25.473 1.00 0.00 H new ATOM 0 HA LEU A 73 6.181 32.453 -25.566 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.208 33.481 -27.638 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.897 33.121 -27.935 1.00 0.00 H new ATOM 0 HG LEU A 73 3.735 31.096 -27.264 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.202 30.460 -29.665 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.687 32.160 -29.547 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.409 31.765 -29.757 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.316 29.347 -27.716 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.627 30.545 -27.830 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.767 30.312 -26.290 1.00 0.00 H new ATOM 1151 N THR A 74 4.759 35.375 -25.336 1.00 0.00 N ATOM 1152 CA THR A 74 4.972 36.800 -25.155 1.00 0.00 C ATOM 1153 C THR A 74 5.452 37.094 -23.735 1.00 0.00 C ATOM 1154 O THR A 74 6.105 38.112 -23.512 1.00 0.00 O ATOM 1155 CB THR A 74 3.774 37.637 -25.631 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.235 38.818 -26.257 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.859 38.049 -24.489 1.00 0.00 C ATOM 0 H THR A 74 3.804 35.074 -25.140 1.00 0.00 H new ATOM 0 HA THR A 74 5.781 37.123 -25.810 1.00 0.00 H new ATOM 0 HB THR A 74 3.211 37.009 -26.322 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.469 39.348 -26.560 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.030 38.638 -24.881 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.470 37.159 -23.995 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.420 38.646 -23.771 1.00 0.00 H new ATOM 1165 N LYS A 75 5.145 36.210 -22.776 1.00 0.00 N ATOM 1166 CA LYS A 75 5.560 36.385 -21.396 1.00 0.00 C ATOM 1167 C LYS A 75 7.065 36.148 -21.262 1.00 0.00 C ATOM 1168 O LYS A 75 7.715 36.790 -20.440 1.00 0.00 O ATOM 1169 CB LYS A 75 4.746 35.418 -20.533 1.00 0.00 C ATOM 1170 CG LYS A 75 3.379 36.005 -20.140 1.00 0.00 C ATOM 1171 CD LYS A 75 3.400 36.797 -18.828 1.00 0.00 C ATOM 1172 CE LYS A 75 3.519 35.896 -17.589 1.00 0.00 C ATOM 1173 NZ LYS A 75 3.389 36.674 -16.341 1.00 0.00 N ATOM 0 H LYS A 75 4.605 35.361 -22.943 1.00 0.00 H new ATOM 0 HA LYS A 75 5.373 37.405 -21.060 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.597 34.485 -21.077 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.309 35.175 -19.632 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.030 36.656 -20.941 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.657 35.193 -20.052 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.236 37.496 -18.845 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.489 37.391 -18.753 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.748 35.127 -17.622 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.481 35.384 -17.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.721 36.101 -15.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.962 37.539 -16.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.392 36.930 -16.194 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.663 13.967 -25.335 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.475 13.718 -26.138 1.00 0.00 C ATOM 1590 C LEU B 7 -3.517 12.832 -25.358 1.00 0.00 C ATOM 1591 O LEU B 7 -3.053 11.857 -25.919 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.780 14.995 -26.654 1.00 0.00 C ATOM 1593 CG LEU B 7 -3.211 15.906 -25.554 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -1.722 15.620 -25.345 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -3.326 17.402 -25.827 1.00 0.00 C ATOM 0 HA LEU B 7 -4.802 13.203 -27.041 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.969 14.706 -27.323 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.494 15.567 -27.247 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.819 15.674 -24.680 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.332 16.272 -24.563 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.589 14.579 -25.049 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -1.182 15.804 -26.274 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -2.897 17.958 -24.993 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -2.787 17.647 -26.742 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.376 17.671 -25.941 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.211 13.149 -24.092 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.245 12.406 -23.285 1.00 0.00 C ATOM 1609 C LEU B 8 -2.576 10.916 -23.147 1.00 0.00 C ATOM 1610 O LEU B 8 -1.687 10.129 -22.837 1.00 0.00 O ATOM 1611 CB LEU B 8 -1.935 13.082 -21.943 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.173 14.436 -21.945 1.00 0.00 C ATOM 1613 CD1 LEU B 8 0.120 14.512 -22.780 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.107 15.628 -22.177 1.00 0.00 C ATOM 0 H LEU B 8 -3.633 13.936 -23.599 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.315 12.438 -23.853 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.882 13.237 -21.425 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.356 12.378 -21.345 1.00 0.00 H new ATOM 0 HG LEU B 8 -0.789 14.501 -20.927 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.551 15.510 -22.694 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.834 13.776 -22.412 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.109 14.305 -23.825 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.527 16.551 -22.170 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.604 15.519 -23.141 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -2.855 15.663 -21.385 1.00 0.00 H new