USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 399 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 41 THR OG1 : rot -49:sc= 0.817 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= -0.0772 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= -0.158 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.0512 X(o=-0.21,f=-0.17) USER MOD Single : A 14 ASN : amide:sc= -1 K(o=-1,f=-7.9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 88:sc= 1.08 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 25 ASN : amide:sc= -0.036 K(o=-0.036,f=-1.8!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.347 K(o=-0.35,f=-3.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.636 K(o=-0.64,f=-5.4!) USER MOD Single : A 46 ASN : amide:sc= -0.447 K(o=-0.45,f=-5.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= -0.0699 (180deg=-0.772) USER MOD Single : A 52 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.051) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc=-0.00237 (180deg=-0.186) USER MOD Single : A 63 ASN : amide:sc= -3.16 X(o=-3.2,f=-2.7!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 -1.792 12.498 -22.576 1.00 0.00 N ATOM 211 CA CYS A 13 -3.011 11.835 -23.024 1.00 0.00 C ATOM 212 C CYS A 13 -2.981 11.614 -24.532 1.00 0.00 C ATOM 213 O CYS A 13 -3.599 12.362 -25.290 1.00 0.00 O ATOM 214 CB CYS A 13 -4.232 12.681 -22.657 1.00 0.00 C ATOM 215 SG CYS A 13 -5.736 11.706 -22.906 1.00 0.00 S ATOM 0 HA CYS A 13 -3.076 10.867 -22.528 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.164 13.006 -21.619 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.263 13.581 -23.272 1.00 0.00 H new ATOM 220 N ASN A 14 -2.259 10.585 -24.963 1.00 0.00 N ATOM 221 CA ASN A 14 -2.161 10.281 -26.387 1.00 0.00 C ATOM 222 C ASN A 14 -3.304 9.370 -26.841 1.00 0.00 C ATOM 223 O ASN A 14 -3.418 9.057 -28.026 1.00 0.00 O ATOM 224 CB ASN A 14 -0.818 9.611 -26.690 1.00 0.00 C ATOM 225 CG ASN A 14 -0.658 8.352 -25.844 1.00 0.00 C ATOM 226 OD1 ASN A 14 -1.629 7.862 -25.267 1.00 0.00 O ATOM 227 ND2 ASN A 14 0.518 7.797 -25.733 1.00 0.00 N ATOM 0 H ASN A 14 -1.738 9.953 -24.355 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.233 11.220 -26.935 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.760 9.357 -27.748 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.002 10.304 -26.483 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.634 6.956 -25.168 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.321 8.204 -26.212 1.00 0.00 H new ATOM 234 N THR A 15 -4.148 8.944 -25.901 1.00 0.00 N ATOM 235 CA THR A 15 -5.268 8.071 -26.237 1.00 0.00 C ATOM 236 C THR A 15 -6.066 8.654 -27.401 1.00 0.00 C ATOM 237 O THR A 15 -6.016 9.857 -27.661 1.00 0.00 O ATOM 238 CB THR A 15 -6.177 7.888 -25.018 1.00 0.00 C ATOM 239 OG1 THR A 15 -7.073 6.812 -25.257 1.00 0.00 O ATOM 240 CG2 THR A 15 -6.974 9.169 -24.763 1.00 0.00 C ATOM 0 H THR A 15 -4.078 9.187 -24.913 1.00 0.00 H new ATOM 0 HA THR A 15 -4.874 7.099 -26.535 1.00 0.00 H new ATOM 0 HB THR A 15 -5.565 7.669 -24.143 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.655 6.692 -24.478 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.618 9.030 -23.894 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.287 9.994 -24.577 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.586 9.396 -25.636 1.00 0.00 H new ATOM 248 N ALA A 16 -6.785 7.790 -28.110 1.00 0.00 N ATOM 249 CA ALA A 16 -7.574 8.219 -29.261 1.00 0.00 C ATOM 250 C ALA A 16 -8.557 9.329 -28.895 1.00 0.00 C ATOM 251 O ALA A 16 -8.824 10.216 -29.706 1.00 0.00 O ATOM 252 CB ALA A 16 -8.345 7.027 -29.831 1.00 0.00 C ATOM 0 H ALA A 16 -6.838 6.791 -27.909 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.883 8.613 -30.007 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.933 7.351 -30.690 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.642 6.255 -30.143 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.010 6.625 -29.067 1.00 0.00 H new ATOM 258 N THR A 17 -9.101 9.280 -27.684 1.00 0.00 N ATOM 259 CA THR A 17 -10.057 10.296 -27.253 1.00 0.00 C ATOM 260 C THR A 17 -9.416 11.682 -27.249 1.00 0.00 C ATOM 261 O THR A 17 -9.968 12.631 -27.807 1.00 0.00 O ATOM 262 CB THR A 17 -10.577 9.966 -25.851 1.00 0.00 C ATOM 263 OG1 THR A 17 -11.239 8.709 -25.879 1.00 0.00 O ATOM 264 CG2 THR A 17 -11.557 11.050 -25.401 1.00 0.00 C ATOM 0 H THR A 17 -8.901 8.559 -26.991 1.00 0.00 H new ATOM 0 HA THR A 17 -10.888 10.300 -27.958 1.00 0.00 H new ATOM 0 HB THR A 17 -9.741 9.923 -25.153 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.571 8.494 -24.982 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.927 10.815 -24.403 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.049 12.014 -25.382 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.395 11.095 -26.097 1.00 0.00 H new ATOM 272 N CYS A 18 -8.251 11.794 -26.620 1.00 0.00 N ATOM 273 CA CYS A 18 -7.549 13.071 -26.557 1.00 0.00 C ATOM 274 C CYS A 18 -7.047 13.475 -27.939 1.00 0.00 C ATOM 275 O CYS A 18 -7.089 14.648 -28.306 1.00 0.00 O ATOM 276 CB CYS A 18 -6.369 12.972 -25.588 1.00 0.00 C ATOM 277 SG CYS A 18 -6.985 12.957 -23.885 1.00 0.00 S ATOM 0 H CYS A 18 -7.776 11.023 -26.150 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.245 13.830 -26.201 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.797 12.066 -25.787 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.693 13.815 -25.734 1.00 0.00 H new ATOM 282 N ALA A 19 -6.573 12.496 -28.700 1.00 0.00 N ATOM 283 CA ALA A 19 -6.065 12.762 -30.041 1.00 0.00 C ATOM 284 C ALA A 19 -7.176 13.295 -30.942 1.00 0.00 C ATOM 285 O ALA A 19 -6.947 14.180 -31.767 1.00 0.00 O ATOM 286 CB ALA A 19 -5.487 11.481 -30.644 1.00 0.00 C ATOM 0 H ALA A 19 -6.530 11.518 -28.415 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.281 13.516 -29.968 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.110 11.688 -31.645 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.672 11.119 -30.017 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.267 10.721 -30.700 1.00 0.00 H new ATOM 292 N THR A 20 -8.375 12.743 -30.786 1.00 0.00 N ATOM 293 CA THR A 20 -9.514 13.160 -31.597 1.00 0.00 C ATOM 294 C THR A 20 -9.718 14.671 -31.538 1.00 0.00 C ATOM 295 O THR A 20 -9.901 15.319 -32.568 1.00 0.00 O ATOM 296 CB THR A 20 -10.783 12.459 -31.106 1.00 0.00 C ATOM 297 OG1 THR A 20 -10.630 11.053 -31.248 1.00 0.00 O ATOM 298 CG2 THR A 20 -11.981 12.930 -31.931 1.00 0.00 C ATOM 0 H THR A 20 -8.583 12.009 -30.109 1.00 0.00 H new ATOM 0 HA THR A 20 -9.308 12.882 -32.631 1.00 0.00 H new ATOM 0 HB THR A 20 -10.950 12.703 -30.057 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.208 10.687 -30.443 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.884 12.430 -31.580 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.097 14.008 -31.821 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.817 12.688 -32.981 1.00 0.00 H new ATOM 306 N GLN A 21 -9.693 15.230 -30.333 1.00 0.00 N ATOM 307 CA GLN A 21 -9.886 16.668 -30.173 1.00 0.00 C ATOM 308 C GLN A 21 -8.603 17.425 -30.505 1.00 0.00 C ATOM 309 O GLN A 21 -8.645 18.586 -30.914 1.00 0.00 O ATOM 310 CB GLN A 21 -10.324 16.986 -28.739 1.00 0.00 C ATOM 311 CG GLN A 21 -9.100 17.302 -27.875 1.00 0.00 C ATOM 312 CD GLN A 21 -9.484 17.278 -26.400 1.00 0.00 C ATOM 313 OE1 GLN A 21 -10.650 17.068 -26.064 1.00 0.00 O ATOM 314 NE2 GLN A 21 -8.567 17.481 -25.494 1.00 0.00 N ATOM 0 H GLN A 21 -9.543 14.718 -29.463 1.00 0.00 H new ATOM 0 HA GLN A 21 -10.666 16.988 -30.864 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.008 17.834 -28.739 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.867 16.139 -28.319 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.312 16.574 -28.066 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.701 18.281 -28.140 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.602 17.655 -25.775 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.815 17.466 -24.505 1.00 0.00 H new ATOM 323 N ARG A 22 -7.465 16.762 -30.328 1.00 0.00 N ATOM 324 CA ARG A 22 -6.178 17.387 -30.612 1.00 0.00 C ATOM 325 C ARG A 22 -6.057 17.713 -32.099 1.00 0.00 C ATOM 326 O ARG A 22 -5.731 18.840 -32.472 1.00 0.00 O ATOM 327 CB ARG A 22 -5.041 16.448 -30.188 1.00 0.00 C ATOM 328 CG ARG A 22 -3.686 17.033 -30.607 1.00 0.00 C ATOM 329 CD ARG A 22 -3.494 18.409 -29.966 1.00 0.00 C ATOM 330 NE ARG A 22 -3.709 18.330 -28.524 1.00 0.00 N ATOM 331 CZ ARG A 22 -2.771 17.863 -27.698 1.00 0.00 C ATOM 332 NH1 ARG A 22 -1.615 17.455 -28.158 1.00 0.00 N ATOM 333 NH2 ARG A 22 -3.009 17.813 -26.416 1.00 0.00 N ATOM 0 H ARG A 22 -7.407 15.801 -29.992 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.108 18.317 -30.047 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.064 16.302 -29.108 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.179 15.468 -30.645 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.881 16.364 -30.302 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.636 17.117 -31.693 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.488 18.776 -30.171 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.190 19.123 -30.406 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.601 18.640 -28.138 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.423 17.492 -29.159 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.907 17.100 -27.515 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.907 18.130 -26.051 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.297 17.457 -25.779 1.00 0.00 H new ATOM 347 N LEU A 23 -6.314 16.719 -32.942 1.00 0.00 N ATOM 348 CA LEU A 23 -6.221 16.915 -34.385 1.00 0.00 C ATOM 349 C LEU A 23 -7.384 17.762 -34.893 1.00 0.00 C ATOM 350 O LEU A 23 -7.275 18.422 -35.926 1.00 0.00 O ATOM 351 CB LEU A 23 -6.207 15.562 -35.105 1.00 0.00 C ATOM 352 CG LEU A 23 -7.572 14.885 -34.970 1.00 0.00 C ATOM 353 CD1 LEU A 23 -8.367 15.071 -36.264 1.00 0.00 C ATOM 354 CD2 LEU A 23 -7.373 13.390 -34.709 1.00 0.00 C ATOM 0 H LEU A 23 -6.586 15.778 -32.656 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.290 17.441 -34.597 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.964 15.703 -36.158 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.431 14.923 -34.682 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.118 15.333 -34.140 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.339 14.588 -36.166 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.508 16.135 -36.455 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.821 14.623 -37.094 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.344 12.905 -34.612 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.826 12.945 -35.541 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.806 13.254 -33.788 1.00 0.00 H new ATOM 366 N ALA A 24 -8.498 17.737 -34.168 1.00 0.00 N ATOM 367 CA ALA A 24 -9.671 18.505 -34.570 1.00 0.00 C ATOM 368 C ALA A 24 -9.304 19.968 -34.796 1.00 0.00 C ATOM 369 O ALA A 24 -9.596 20.534 -35.849 1.00 0.00 O ATOM 370 CB ALA A 24 -10.752 18.409 -33.492 1.00 0.00 C ATOM 0 H ALA A 24 -8.613 17.200 -33.309 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.050 18.090 -35.504 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.625 18.985 -33.800 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.036 17.366 -33.354 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.366 18.808 -32.554 1.00 0.00 H new ATOM 376 N ASN A 25 -8.661 20.576 -33.803 1.00 0.00 N ATOM 377 CA ASN A 25 -8.260 21.973 -33.911 1.00 0.00 C ATOM 378 C ASN A 25 -7.149 22.137 -34.943 1.00 0.00 C ATOM 379 O ASN A 25 -7.104 23.130 -35.669 1.00 0.00 O ATOM 380 CB ASN A 25 -7.777 22.482 -32.552 1.00 0.00 C ATOM 381 CG ASN A 25 -8.960 22.639 -31.603 1.00 0.00 C ATOM 382 OD1 ASN A 25 -10.104 22.735 -32.047 1.00 0.00 O ATOM 383 ND2 ASN A 25 -8.752 22.672 -30.315 1.00 0.00 N ATOM 0 H ASN A 25 -8.409 20.127 -32.922 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.124 22.555 -34.232 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.052 21.786 -32.130 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.268 23.438 -32.673 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.538 22.778 -29.674 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.803 22.592 -29.949 1.00 0.00 H new ATOM 390 N PHE A 26 -6.252 21.157 -35.000 1.00 0.00 N ATOM 391 CA PHE A 26 -5.142 21.205 -35.944 1.00 0.00 C ATOM 392 C PHE A 26 -5.659 21.253 -37.379 1.00 0.00 C ATOM 393 O PHE A 26 -5.076 21.916 -38.237 1.00 0.00 O ATOM 394 CB PHE A 26 -4.245 19.978 -35.761 1.00 0.00 C ATOM 395 CG PHE A 26 -3.076 20.064 -36.713 1.00 0.00 C ATOM 396 CD1 PHE A 26 -1.974 20.868 -36.397 1.00 0.00 C ATOM 397 CD2 PHE A 26 -3.094 19.339 -37.910 1.00 0.00 C ATOM 398 CE1 PHE A 26 -0.890 20.947 -37.279 1.00 0.00 C ATOM 399 CE2 PHE A 26 -2.009 19.418 -38.793 1.00 0.00 C ATOM 400 CZ PHE A 26 -0.907 20.222 -38.477 1.00 0.00 C ATOM 0 H PHE A 26 -6.272 20.326 -34.408 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.564 22.108 -35.749 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.887 19.926 -34.733 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.814 19.067 -35.948 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.960 21.427 -35.473 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.944 18.719 -38.153 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.040 21.567 -37.036 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.023 18.859 -39.717 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.070 20.283 -39.157 1.00 0.00 H new ATOM 410 N LEU A 27 -6.754 20.545 -37.633 1.00 0.00 N ATOM 411 CA LEU A 27 -7.341 20.511 -38.967 1.00 0.00 C ATOM 412 C LEU A 27 -7.744 21.920 -39.397 1.00 0.00 C ATOM 413 O LEU A 27 -7.380 22.380 -40.479 1.00 0.00 O ATOM 414 CB LEU A 27 -8.572 19.579 -38.946 1.00 0.00 C ATOM 415 CG LEU A 27 -9.274 19.485 -40.322 1.00 0.00 C ATOM 416 CD1 LEU A 27 -10.268 20.645 -40.501 1.00 0.00 C ATOM 417 CD2 LEU A 27 -8.250 19.491 -41.467 1.00 0.00 C ATOM 0 H LEU A 27 -7.251 19.990 -36.937 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.612 20.132 -39.683 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.262 18.582 -38.632 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.284 19.941 -38.204 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.820 18.542 -40.354 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.752 20.562 -41.474 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.023 20.602 -39.716 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.735 21.594 -40.440 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.771 19.424 -42.422 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.672 20.414 -41.433 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.579 18.639 -41.359 1.00 0.00 H new ATOM 429 N VAL A 28 -8.501 22.599 -38.540 1.00 0.00 N ATOM 430 CA VAL A 28 -8.955 23.953 -38.840 1.00 0.00 C ATOM 431 C VAL A 28 -7.828 24.969 -38.659 1.00 0.00 C ATOM 432 O VAL A 28 -7.903 26.088 -39.168 1.00 0.00 O ATOM 433 CB VAL A 28 -10.124 24.324 -37.926 1.00 0.00 C ATOM 434 CG1 VAL A 28 -11.264 23.322 -38.120 1.00 0.00 C ATOM 435 CG2 VAL A 28 -9.664 24.295 -36.466 1.00 0.00 C ATOM 0 H VAL A 28 -8.811 22.237 -37.638 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.276 23.976 -39.881 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.473 25.326 -38.177 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.096 23.587 -37.468 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.595 23.344 -39.158 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.914 22.320 -37.872 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.498 24.560 -35.816 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.312 23.294 -36.215 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.854 25.010 -36.326 1.00 0.00 H new ATOM 445 N HIS A 29 -6.788 24.579 -37.925 1.00 0.00 N ATOM 446 CA HIS A 29 -5.660 25.469 -37.678 1.00 0.00 C ATOM 447 C HIS A 29 -4.734 25.533 -38.888 1.00 0.00 C ATOM 448 O HIS A 29 -4.244 26.603 -39.250 1.00 0.00 O ATOM 449 CB HIS A 29 -4.872 24.984 -36.459 1.00 0.00 C ATOM 450 CG HIS A 29 -3.725 25.921 -36.198 1.00 0.00 C ATOM 451 ND1 HIS A 29 -3.914 27.195 -35.683 1.00 0.00 N ATOM 452 CD2 HIS A 29 -2.370 25.786 -36.375 1.00 0.00 C ATOM 453 CE1 HIS A 29 -2.702 27.770 -35.570 1.00 0.00 C ATOM 454 NE2 HIS A 29 -1.727 26.954 -35.978 1.00 0.00 N ATOM 0 H HIS A 29 -6.704 23.658 -37.494 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.053 26.468 -37.490 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.524 24.938 -35.586 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.499 23.975 -36.632 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.878 24.906 -36.763 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.538 28.769 -35.195 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -0.725 27.146 -35.995 1.00 0.00 H new ATOM 463 N SER A 30 -4.488 24.382 -39.504 1.00 0.00 N ATOM 464 CA SER A 30 -3.610 24.309 -40.666 1.00 0.00 C ATOM 465 C SER A 30 -4.390 24.464 -41.966 1.00 0.00 C ATOM 466 O SER A 30 -3.902 24.092 -43.032 1.00 0.00 O ATOM 467 CB SER A 30 -2.892 22.959 -40.675 1.00 0.00 C ATOM 468 OG SER A 30 -1.861 22.982 -41.653 1.00 0.00 O ATOM 0 H SER A 30 -4.884 23.487 -39.218 1.00 0.00 H new ATOM 0 HA SER A 30 -2.891 25.125 -40.597 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.471 22.751 -39.691 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.599 22.159 -40.894 1.00 0.00 H new ATOM 0 HG SER A 30 -1.398 22.118 -41.660 1.00 0.00 H new ATOM 474 N SER A 31 -5.599 25.010 -41.886 1.00 0.00 N ATOM 475 CA SER A 31 -6.406 25.191 -43.087 1.00 0.00 C ATOM 476 C SER A 31 -5.665 26.078 -44.084 1.00 0.00 C ATOM 477 O SER A 31 -5.526 25.735 -45.258 1.00 0.00 O ATOM 478 CB SER A 31 -7.751 25.825 -42.729 1.00 0.00 C ATOM 479 OG SER A 31 -8.510 26.017 -43.915 1.00 0.00 O ATOM 0 H SER A 31 -6.035 25.329 -41.021 1.00 0.00 H new ATOM 0 HA SER A 31 -6.584 24.216 -43.540 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.295 25.184 -42.035 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.594 26.779 -42.226 1.00 0.00 H new ATOM 0 HG SER A 31 -9.373 26.422 -43.689 1.00 0.00 H new ATOM 485 N ASN A 32 -5.190 27.219 -43.598 1.00 0.00 N ATOM 486 CA ASN A 32 -4.456 28.156 -44.442 1.00 0.00 C ATOM 487 C ASN A 32 -3.372 27.421 -45.224 1.00 0.00 C ATOM 488 O ASN A 32 -3.303 27.514 -46.449 1.00 0.00 O ATOM 489 CB ASN A 32 -3.820 29.251 -43.582 1.00 0.00 C ATOM 490 CG ASN A 32 -3.233 28.645 -42.312 1.00 0.00 C ATOM 491 OD1 ASN A 32 -3.974 28.206 -41.432 1.00 0.00 O ATOM 492 ND2 ASN A 32 -1.937 28.595 -42.162 1.00 0.00 N ATOM 0 H ASN A 32 -5.299 27.517 -42.629 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.153 28.613 -45.144 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.038 29.760 -44.146 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.567 30.002 -43.324 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.537 28.192 -41.315 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.325 28.959 -42.892 1.00 0.00 H new ATOM 499 N ASN A 33 -2.535 26.686 -44.503 1.00 0.00 N ATOM 500 CA ASN A 33 -1.461 25.924 -45.131 1.00 0.00 C ATOM 501 C ASN A 33 -2.028 24.921 -46.131 1.00 0.00 C ATOM 502 O ASN A 33 -1.513 24.781 -47.238 1.00 0.00 O ATOM 503 CB ASN A 33 -0.653 25.182 -44.063 1.00 0.00 C ATOM 504 CG ASN A 33 0.170 26.175 -43.250 1.00 0.00 C ATOM 505 OD1 ASN A 33 0.028 26.248 -42.029 1.00 0.00 O ATOM 506 ND2 ASN A 33 1.029 26.949 -43.856 1.00 0.00 N ATOM 0 H ASN A 33 -2.578 26.601 -43.487 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.810 26.619 -45.661 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.324 24.629 -43.406 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.005 24.452 -44.534 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.583 27.615 -43.318 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.146 26.888 -44.867 1.00 0.00 H new ATOM 513 N PHE A 34 -3.083 24.220 -45.733 1.00 0.00 N ATOM 514 CA PHE A 34 -3.701 23.225 -46.603 1.00 0.00 C ATOM 515 C PHE A 34 -4.021 23.816 -47.973 1.00 0.00 C ATOM 516 O PHE A 34 -3.647 23.254 -49.003 1.00 0.00 O ATOM 517 CB PHE A 34 -4.989 22.705 -45.962 1.00 0.00 C ATOM 518 CG PHE A 34 -5.592 21.634 -46.839 1.00 0.00 C ATOM 519 CD1 PHE A 34 -4.923 20.416 -47.016 1.00 0.00 C ATOM 520 CD2 PHE A 34 -6.820 21.857 -47.475 1.00 0.00 C ATOM 521 CE1 PHE A 34 -5.482 19.423 -47.830 1.00 0.00 C ATOM 522 CE2 PHE A 34 -7.378 20.863 -48.288 1.00 0.00 C ATOM 523 CZ PHE A 34 -6.709 19.646 -48.465 1.00 0.00 C ATOM 0 H PHE A 34 -3.526 24.320 -44.820 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.995 22.405 -46.735 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.778 22.302 -44.971 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.697 23.523 -45.829 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.977 20.243 -46.525 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.336 22.796 -47.338 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.966 18.484 -47.968 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.325 21.035 -48.779 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.140 18.879 -49.092 1.00 0.00 H new ATOM 533 N GLY A 35 -4.723 24.945 -47.981 1.00 0.00 N ATOM 534 CA GLY A 35 -5.092 25.592 -49.236 1.00 0.00 C ATOM 535 C GLY A 35 -3.864 26.121 -49.970 1.00 0.00 C ATOM 536 O GLY A 35 -3.804 26.093 -51.198 1.00 0.00 O ATOM 0 H GLY A 35 -5.045 25.427 -47.142 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.620 24.882 -49.872 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.780 26.413 -49.035 1.00 0.00 H new ATOM 540 N ALA A 36 -2.888 26.601 -49.209 1.00 0.00 N ATOM 541 CA ALA A 36 -1.663 27.132 -49.800 1.00 0.00 C ATOM 542 C ALA A 36 -0.908 26.038 -50.551 1.00 0.00 C ATOM 543 O ALA A 36 -0.385 26.270 -51.641 1.00 0.00 O ATOM 544 CB ALA A 36 -0.766 27.720 -48.708 1.00 0.00 C ATOM 0 H ALA A 36 -2.918 26.634 -48.190 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.935 27.917 -50.506 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.145 28.114 -49.158 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.295 28.524 -48.197 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.509 26.941 -47.990 1.00 0.00 H new ATOM 550 N ILE A 37 -0.857 24.846 -49.967 1.00 0.00 N ATOM 551 CA ILE A 37 -0.165 23.725 -50.596 1.00 0.00 C ATOM 552 C ILE A 37 -0.957 23.204 -51.793 1.00 0.00 C ATOM 553 O ILE A 37 -0.388 22.934 -52.851 1.00 0.00 O ATOM 554 CB ILE A 37 0.041 22.597 -49.584 1.00 0.00 C ATOM 555 CG1 ILE A 37 1.076 23.028 -48.542 1.00 0.00 C ATOM 556 CG2 ILE A 37 0.540 21.346 -50.309 1.00 0.00 C ATOM 557 CD1 ILE A 37 1.070 22.036 -47.377 1.00 0.00 C ATOM 0 H ILE A 37 -1.283 24.631 -49.066 1.00 0.00 H new ATOM 0 HA ILE A 37 0.806 24.077 -50.945 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.905 22.378 -49.088 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.067 23.069 -48.994 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.848 24.031 -48.181 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.687 20.542 -49.588 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.196 21.038 -51.051 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.485 21.566 -50.805 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.807 22.342 -46.635 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.081 22.017 -46.920 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.318 21.041 -47.745 1.00 0.00 H new ATOM 569 N LEU A 38 -2.267 23.062 -51.622 1.00 0.00 N ATOM 570 CA LEU A 38 -3.113 22.570 -52.703 1.00 0.00 C ATOM 571 C LEU A 38 -3.034 23.508 -53.903 1.00 0.00 C ATOM 572 O LEU A 38 -2.857 23.070 -55.039 1.00 0.00 O ATOM 573 CB LEU A 38 -4.564 22.460 -52.222 1.00 0.00 C ATOM 574 CG LEU A 38 -5.459 21.958 -53.360 1.00 0.00 C ATOM 575 CD1 LEU A 38 -5.030 20.548 -53.772 1.00 0.00 C ATOM 576 CD2 LEU A 38 -6.913 21.925 -52.884 1.00 0.00 C ATOM 0 H LEU A 38 -2.761 23.278 -50.756 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.760 21.583 -53.004 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.624 21.778 -51.374 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.915 23.432 -51.875 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.366 22.628 -54.214 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.669 20.195 -54.581 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.994 20.567 -54.110 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.121 19.876 -52.919 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.552 21.568 -53.692 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.001 21.255 -52.029 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.223 22.928 -52.592 1.00 0.00 H new ATOM 588 N SER A 39 -3.168 24.802 -53.639 1.00 0.00 N ATOM 589 CA SER A 39 -3.111 25.802 -54.698 1.00 0.00 C ATOM 590 C SER A 39 -1.876 25.590 -55.570 1.00 0.00 C ATOM 591 O SER A 39 -1.888 25.891 -56.764 1.00 0.00 O ATOM 592 CB SER A 39 -3.072 27.204 -54.090 1.00 0.00 C ATOM 593 OG SER A 39 -3.223 28.168 -55.123 1.00 0.00 O ATOM 0 H SER A 39 -3.316 25.183 -52.704 1.00 0.00 H new ATOM 0 HA SER A 39 -4.002 25.699 -55.317 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.868 27.316 -53.353 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.129 27.360 -53.566 1.00 0.00 H new ATOM 0 HG SER A 39 -3.200 29.068 -54.736 1.00 0.00 H new ATOM 599 N SER A 40 -0.812 25.073 -54.964 1.00 0.00 N ATOM 600 CA SER A 40 0.427 24.828 -55.693 1.00 0.00 C ATOM 601 C SER A 40 0.500 23.377 -56.162 1.00 0.00 C ATOM 602 O SER A 40 1.575 22.778 -56.186 1.00 0.00 O ATOM 603 CB SER A 40 1.628 25.137 -54.799 1.00 0.00 C ATOM 604 OG SER A 40 1.643 26.527 -54.498 1.00 0.00 O ATOM 0 H SER A 40 -0.782 24.817 -53.977 1.00 0.00 H new ATOM 0 HA SER A 40 0.445 25.480 -56.566 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.571 24.554 -53.879 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.553 24.852 -55.301 1.00 0.00 H new ATOM 0 HG SER A 40 2.411 26.729 -53.923 1.00 0.00 H new ATOM 610 N THR A 41 -0.647 22.819 -56.535 1.00 0.00 N ATOM 611 CA THR A 41 -0.697 21.437 -57.001 1.00 0.00 C ATOM 612 C THR A 41 -0.531 21.372 -58.517 1.00 0.00 C ATOM 613 O THR A 41 -1.119 20.516 -59.179 1.00 0.00 O ATOM 614 CB THR A 41 -2.030 20.796 -56.604 1.00 0.00 C ATOM 615 OG1 THR A 41 -2.005 19.414 -56.933 1.00 0.00 O ATOM 616 CG2 THR A 41 -3.175 21.479 -57.355 1.00 0.00 C ATOM 0 H THR A 41 -1.548 23.297 -56.524 1.00 0.00 H new ATOM 0 HA THR A 41 0.122 20.890 -56.534 1.00 0.00 H new ATOM 0 HB THR A 41 -2.183 20.914 -55.531 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.697 19.303 -57.857 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.122 21.020 -57.070 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.195 22.539 -57.102 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.025 21.365 -58.429 1.00 0.00 H new ATOM 624 N ASN A 42 0.273 22.280 -59.062 1.00 0.00 N ATOM 625 CA ASN A 42 0.507 22.312 -60.501 1.00 0.00 C ATOM 626 C ASN A 42 1.729 21.473 -60.871 1.00 0.00 C ATOM 627 O ASN A 42 2.319 21.659 -61.935 1.00 0.00 O ATOM 628 CB ASN A 42 0.720 23.755 -60.962 1.00 0.00 C ATOM 629 CG ASN A 42 2.002 24.313 -60.353 1.00 0.00 C ATOM 630 OD1 ASN A 42 2.611 23.676 -59.493 1.00 0.00 O ATOM 631 ND2 ASN A 42 2.450 25.473 -60.749 1.00 0.00 N ATOM 0 H ASN A 42 0.770 22.998 -58.534 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.368 21.894 -60.999 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.778 23.793 -62.050 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.130 24.369 -60.666 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.306 25.854 -60.346 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.944 25.999 -61.462 1.00 0.00 H new ATOM 638 N VAL A 43 2.104 20.549 -59.990 1.00 0.00 N ATOM 639 CA VAL A 43 3.256 19.691 -60.243 1.00 0.00 C ATOM 640 C VAL A 43 2.809 18.306 -60.712 1.00 0.00 C ATOM 641 O VAL A 43 3.630 17.408 -60.896 1.00 0.00 O ATOM 642 CB VAL A 43 4.095 19.564 -58.967 1.00 0.00 C ATOM 643 CG1 VAL A 43 3.403 18.616 -57.982 1.00 0.00 C ATOM 644 CG2 VAL A 43 5.485 19.019 -59.315 1.00 0.00 C ATOM 0 H VAL A 43 1.631 20.377 -59.103 1.00 0.00 H new ATOM 0 HA VAL A 43 3.859 20.142 -61.031 1.00 0.00 H new ATOM 0 HB VAL A 43 4.197 20.547 -58.507 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.004 18.530 -57.077 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.419 19.010 -57.728 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.293 17.633 -58.440 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.079 18.930 -58.405 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.385 18.039 -59.781 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.980 19.701 -60.007 1.00 0.00 H new ATOM 654 N GLY A 44 1.503 18.137 -60.908 1.00 0.00 N ATOM 655 CA GLY A 44 0.969 16.857 -61.357 1.00 0.00 C ATOM 656 C GLY A 44 0.549 15.991 -60.173 1.00 0.00 C ATOM 657 O GLY A 44 0.411 14.775 -60.301 1.00 0.00 O ATOM 0 H GLY A 44 0.802 18.864 -60.764 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.113 17.026 -62.010 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.721 16.332 -61.947 1.00 0.00 H new ATOM 661 N SER A 45 0.347 16.624 -59.020 1.00 0.00 N ATOM 662 CA SER A 45 -0.057 15.898 -57.822 1.00 0.00 C ATOM 663 C SER A 45 -1.502 16.225 -57.458 1.00 0.00 C ATOM 664 O SER A 45 -1.865 16.249 -56.283 1.00 0.00 O ATOM 665 CB SER A 45 0.860 16.266 -56.655 1.00 0.00 C ATOM 666 OG SER A 45 0.792 17.667 -56.427 1.00 0.00 O ATOM 0 H SER A 45 0.456 17.630 -58.891 1.00 0.00 H new ATOM 0 HA SER A 45 0.022 14.830 -58.024 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.560 15.725 -55.757 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.886 15.972 -56.877 1.00 0.00 H new ATOM 0 HG SER A 45 1.378 17.905 -55.678 1.00 0.00 H new ATOM 672 N ASN A 46 -2.322 16.478 -58.474 1.00 0.00 N ATOM 673 CA ASN A 46 -3.725 16.803 -58.248 1.00 0.00 C ATOM 674 C ASN A 46 -4.607 15.579 -58.482 1.00 0.00 C ATOM 675 O ASN A 46 -5.784 15.707 -58.817 1.00 0.00 O ATOM 676 CB ASN A 46 -4.157 17.932 -59.186 1.00 0.00 C ATOM 677 CG ASN A 46 -4.175 17.434 -60.627 1.00 0.00 C ATOM 678 OD1 ASN A 46 -3.609 16.384 -60.930 1.00 0.00 O ATOM 679 ND2 ASN A 46 -4.796 18.130 -61.540 1.00 0.00 N ATOM 0 H ASN A 46 -2.041 16.464 -59.454 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.840 17.125 -57.213 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.147 18.291 -58.904 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.473 18.776 -59.092 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.813 17.804 -62.506 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.265 19.000 -61.287 1.00 0.00 H new ATOM 686 N THR A 47 -4.029 14.395 -58.304 1.00 0.00 N ATOM 687 CA THR A 47 -4.774 13.156 -58.499 1.00 0.00 C ATOM 688 C THR A 47 -5.235 12.586 -57.161 1.00 0.00 C ATOM 689 O THR A 47 -5.478 11.385 -57.039 1.00 0.00 O ATOM 690 CB THR A 47 -3.897 12.129 -59.219 1.00 0.00 C ATOM 691 OG1 THR A 47 -2.947 12.806 -60.030 1.00 0.00 O ATOM 692 CG2 THR A 47 -4.773 11.233 -60.096 1.00 0.00 C ATOM 0 H THR A 47 -3.056 14.267 -58.027 1.00 0.00 H new ATOM 0 HA THR A 47 -5.652 13.376 -59.106 1.00 0.00 H new ATOM 0 HB THR A 47 -3.376 11.516 -58.484 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.383 12.150 -60.491 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.148 10.502 -60.608 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.501 10.714 -59.473 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.295 11.844 -60.833 1.00 0.00 H new ATOM 700 N TYR A 48 -5.354 13.453 -56.159 1.00 0.00 N ATOM 701 CA TYR A 48 -5.787 13.020 -54.835 1.00 0.00 C ATOM 702 C TYR A 48 -6.867 13.952 -54.290 1.00 0.00 C ATOM 703 O TYR A 48 -7.075 14.033 -53.080 1.00 0.00 O ATOM 704 CB TYR A 48 -4.594 12.999 -53.877 1.00 0.00 C ATOM 705 CG TYR A 48 -4.271 14.408 -53.439 1.00 0.00 C ATOM 706 CD1 TYR A 48 -4.529 14.808 -52.122 1.00 0.00 C ATOM 707 CD2 TYR A 48 -3.715 15.314 -54.349 1.00 0.00 C ATOM 708 CE1 TYR A 48 -4.230 16.114 -51.716 1.00 0.00 C ATOM 709 CE2 TYR A 48 -3.416 16.620 -53.943 1.00 0.00 C ATOM 710 CZ TYR A 48 -3.674 17.020 -52.626 1.00 0.00 C ATOM 711 OH TYR A 48 -3.380 18.307 -52.226 1.00 0.00 O ATOM 0 H TYR A 48 -5.158 14.451 -56.238 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.202 12.016 -54.920 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.823 12.381 -53.009 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.729 12.552 -54.367 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.959 14.109 -51.420 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.516 15.006 -55.365 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.429 16.422 -50.700 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.986 17.319 -54.645 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.999 18.805 -52.979 1.00 0.00 H new ATOM 721 N GLY A 49 -7.551 14.652 -55.190 1.00 0.00 N ATOM 722 CA GLY A 49 -8.606 15.574 -54.783 1.00 0.00 C ATOM 723 C GLY A 49 -9.712 14.841 -54.034 1.00 0.00 C ATOM 724 O GLY A 49 -10.017 13.686 -54.330 1.00 0.00 O ATOM 0 H GLY A 49 -7.396 14.600 -56.197 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.187 16.354 -54.148 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.022 16.067 -55.662 1.00 0.00 H new ATOM 728 N LYS A 50 -10.310 15.521 -53.060 1.00 0.00 N ATOM 729 CA LYS A 50 -11.383 14.926 -52.272 1.00 0.00 C ATOM 730 C LYS A 50 -12.592 14.624 -53.152 1.00 0.00 C ATOM 731 O LYS A 50 -13.282 13.624 -52.953 1.00 0.00 O ATOM 732 CB LYS A 50 -11.794 15.877 -51.147 1.00 0.00 C ATOM 733 CG LYS A 50 -10.674 15.950 -50.106 1.00 0.00 C ATOM 734 CD LYS A 50 -11.174 16.692 -48.864 1.00 0.00 C ATOM 735 CE LYS A 50 -11.313 18.183 -49.179 1.00 0.00 C ATOM 736 NZ LYS A 50 -9.966 18.760 -49.454 1.00 0.00 N ATOM 0 H LYS A 50 -10.072 16.478 -52.799 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.018 13.993 -51.844 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.995 16.869 -51.551 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.716 15.529 -50.681 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.349 14.945 -49.835 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.808 16.463 -50.524 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.135 16.286 -48.547 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.479 16.548 -48.037 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.964 18.324 -50.042 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.778 18.701 -48.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.973 19.777 -49.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.257 18.283 -48.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.728 18.623 -50.457 1.00 0.00 H new ATOM 750 N ARG A 51 -12.844 15.494 -54.124 1.00 0.00 N ATOM 751 CA ARG A 51 -13.974 15.308 -55.027 1.00 0.00 C ATOM 752 C ARG A 51 -13.851 13.987 -55.781 1.00 0.00 C ATOM 753 O ARG A 51 -14.840 13.461 -56.293 1.00 0.00 O ATOM 754 CB ARG A 51 -14.046 16.467 -56.025 1.00 0.00 C ATOM 755 CG ARG A 51 -12.883 16.370 -57.015 1.00 0.00 C ATOM 756 CD ARG A 51 -12.859 17.617 -57.899 1.00 0.00 C ATOM 757 NE ARG A 51 -11.793 17.513 -58.891 1.00 0.00 N ATOM 758 CZ ARG A 51 -10.521 17.775 -58.586 1.00 0.00 C ATOM 759 NH1 ARG A 51 -10.182 18.134 -57.374 1.00 0.00 N ATOM 760 NH2 ARG A 51 -9.603 17.672 -59.508 1.00 0.00 N ATOM 0 H ARG A 51 -12.286 16.328 -54.306 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.887 15.287 -54.432 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.995 16.440 -56.561 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.006 17.419 -55.495 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.940 16.275 -56.476 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.989 15.477 -57.631 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.820 17.735 -58.399 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.708 18.504 -57.284 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.027 17.232 -59.843 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.894 18.216 -56.649 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.206 18.331 -57.155 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.860 17.393 -60.455 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.628 17.871 -59.282 1.00 0.00 H new ATOM 774 N ASN A 52 -12.636 13.453 -55.845 1.00 0.00 N ATOM 775 CA ASN A 52 -12.404 12.191 -56.538 1.00 0.00 C ATOM 776 C ASN A 52 -13.183 11.060 -55.871 1.00 0.00 C ATOM 777 O ASN A 52 -13.480 10.044 -56.501 1.00 0.00 O ATOM 778 CB ASN A 52 -10.911 11.857 -56.532 1.00 0.00 C ATOM 779 CG ASN A 52 -10.527 11.162 -57.833 1.00 0.00 C ATOM 780 OD1 ASN A 52 -9.475 11.447 -58.404 1.00 0.00 O ATOM 781 ND2 ASN A 52 -11.323 10.260 -58.340 1.00 0.00 N ATOM 0 H ASN A 52 -11.803 13.870 -55.429 1.00 0.00 H new ATOM 0 HA ASN A 52 -12.748 12.296 -57.567 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.326 12.769 -56.411 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.677 11.214 -55.684 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.073 9.791 -59.210 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.195 10.025 -57.866 1.00 0.00 H new ATOM 788 N ALA A 53 -13.507 11.239 -54.594 1.00 0.00 N ATOM 789 CA ALA A 53 -14.246 10.224 -53.853 1.00 0.00 C ATOM 790 C ALA A 53 -15.563 9.896 -54.550 1.00 0.00 C ATOM 791 O ALA A 53 -15.980 8.739 -54.593 1.00 0.00 O ATOM 792 CB ALA A 53 -14.530 10.720 -52.434 1.00 0.00 C ATOM 0 H ALA A 53 -13.271 12.072 -54.054 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.638 9.320 -53.811 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.082 9.957 -51.886 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.588 10.923 -51.924 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.122 11.634 -52.480 1.00 0.00 H new ATOM 798 N VAL A 54 -16.216 10.918 -55.092 1.00 0.00 N ATOM 799 CA VAL A 54 -17.485 10.713 -55.781 1.00 0.00 C ATOM 800 C VAL A 54 -17.250 10.103 -57.162 1.00 0.00 C ATOM 801 O VAL A 54 -18.072 9.330 -57.655 1.00 0.00 O ATOM 802 CB VAL A 54 -18.247 12.040 -55.900 1.00 0.00 C ATOM 803 CG1 VAL A 54 -17.870 12.757 -57.199 1.00 0.00 C ATOM 804 CG2 VAL A 54 -19.751 11.761 -55.896 1.00 0.00 C ATOM 0 H VAL A 54 -15.893 11.885 -55.069 1.00 0.00 H new ATOM 0 HA VAL A 54 -18.090 10.019 -55.198 1.00 0.00 H new ATOM 0 HB VAL A 54 -17.983 12.676 -55.055 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -18.419 13.696 -57.269 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -16.799 12.961 -57.204 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -18.123 12.125 -58.050 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -20.296 12.701 -55.980 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -20.004 11.118 -56.739 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -20.026 11.264 -54.966 1.00 0.00 H new ATOM 814 N GLU A 55 -16.127 10.455 -57.785 1.00 0.00 N ATOM 815 CA GLU A 55 -15.803 9.934 -59.108 1.00 0.00 C ATOM 816 C GLU A 55 -15.590 8.424 -59.058 1.00 0.00 C ATOM 817 O GLU A 55 -16.169 7.681 -59.850 1.00 0.00 O ATOM 818 CB GLU A 55 -14.538 10.611 -59.641 1.00 0.00 C ATOM 819 CG GLU A 55 -14.835 12.078 -59.961 1.00 0.00 C ATOM 820 CD GLU A 55 -15.743 12.175 -61.183 1.00 0.00 C ATOM 821 OE1 GLU A 55 -15.896 11.174 -61.864 1.00 0.00 O ATOM 822 OE2 GLU A 55 -16.271 13.248 -61.421 1.00 0.00 O ATOM 0 H GLU A 55 -15.432 11.094 -57.398 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.639 10.148 -59.773 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.739 10.544 -58.902 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.188 10.097 -60.536 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.312 12.556 -59.105 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.904 12.613 -60.147 1.00 0.00 H new ATOM 829 N VAL A 56 -14.755 7.975 -58.127 1.00 0.00 N ATOM 830 CA VAL A 56 -14.479 6.548 -57.995 1.00 0.00 C ATOM 831 C VAL A 56 -15.744 5.790 -57.598 1.00 0.00 C ATOM 832 O VAL A 56 -16.020 4.712 -58.124 1.00 0.00 O ATOM 833 CB VAL A 56 -13.373 6.310 -56.960 1.00 0.00 C ATOM 834 CG1 VAL A 56 -13.793 6.875 -55.601 1.00 0.00 C ATOM 835 CG2 VAL A 56 -13.121 4.807 -56.827 1.00 0.00 C ATOM 0 H VAL A 56 -14.263 8.569 -57.460 1.00 0.00 H new ATOM 0 HA VAL A 56 -14.140 6.175 -58.961 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.463 6.812 -57.288 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -13.000 6.700 -54.874 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.972 7.946 -55.692 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -14.706 6.381 -55.268 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.335 4.633 -56.092 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -14.036 4.312 -56.503 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -12.812 4.403 -57.791 1.00 0.00 H new ATOM 845 N LEU A 57 -16.506 6.356 -56.665 1.00 0.00 N ATOM 846 CA LEU A 57 -17.737 5.721 -56.204 1.00 0.00 C ATOM 847 C LEU A 57 -18.591 5.264 -57.382 1.00 0.00 C ATOM 848 O LEU A 57 -19.040 4.118 -57.425 1.00 0.00 O ATOM 849 CB LEU A 57 -18.540 6.701 -55.345 1.00 0.00 C ATOM 850 CG LEU A 57 -18.571 6.206 -53.898 1.00 0.00 C ATOM 851 CD1 LEU A 57 -17.270 6.598 -53.194 1.00 0.00 C ATOM 852 CD2 LEU A 57 -19.757 6.842 -53.169 1.00 0.00 C ATOM 0 H LEU A 57 -16.294 7.247 -56.216 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.465 4.848 -55.611 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -18.091 7.693 -55.391 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -19.555 6.792 -55.731 1.00 0.00 H new ATOM 0 HG LEU A 57 -18.675 5.121 -53.887 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -17.293 6.245 -52.163 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.425 6.146 -53.713 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -17.164 7.683 -53.203 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -19.781 6.491 -52.137 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.652 7.927 -53.180 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -20.684 6.562 -53.669 1.00 0.00 H new ATOM 864 N LYS A 58 -18.817 6.163 -58.333 1.00 0.00 N ATOM 865 CA LYS A 58 -19.627 5.832 -59.500 1.00 0.00 C ATOM 866 C LYS A 58 -18.988 4.694 -60.289 1.00 0.00 C ATOM 867 O LYS A 58 -19.680 3.818 -60.808 1.00 0.00 O ATOM 868 CB LYS A 58 -19.778 7.061 -60.400 1.00 0.00 C ATOM 869 CG LYS A 58 -20.706 8.078 -59.731 1.00 0.00 C ATOM 870 CD LYS A 58 -22.159 7.624 -59.887 1.00 0.00 C ATOM 871 CE LYS A 58 -23.095 8.723 -59.380 1.00 0.00 C ATOM 872 NZ LYS A 58 -22.939 8.867 -57.905 1.00 0.00 N ATOM 0 H LYS A 58 -18.455 7.117 -58.321 1.00 0.00 H new ATOM 0 HA LYS A 58 -20.611 5.513 -59.157 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.802 7.511 -60.585 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.182 6.767 -61.369 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.456 8.175 -58.675 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.571 9.061 -60.182 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -22.372 7.404 -60.933 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -22.325 6.703 -59.328 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.866 9.667 -59.875 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -24.128 8.477 -59.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.707 9.460 -57.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.977 7.928 -57.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -22.023 9.313 -57.695 1.00 0.00 H new ATOM 886 N ARG A 59 -17.662 4.715 -60.370 1.00 0.00 N ATOM 887 CA ARG A 59 -16.932 3.682 -61.095 1.00 0.00 C ATOM 888 C ARG A 59 -17.096 2.330 -60.407 1.00 0.00 C ATOM 889 O ARG A 59 -17.185 1.293 -61.064 1.00 0.00 O ATOM 890 CB ARG A 59 -15.447 4.045 -61.168 1.00 0.00 C ATOM 891 CG ARG A 59 -14.724 3.065 -62.094 1.00 0.00 C ATOM 892 CD ARG A 59 -14.002 2.009 -61.256 1.00 0.00 C ATOM 893 NE ARG A 59 -13.286 1.078 -62.122 1.00 0.00 N ATOM 894 CZ ARG A 59 -12.471 0.144 -61.628 1.00 0.00 C ATOM 895 NH1 ARG A 59 -12.284 0.032 -60.337 1.00 0.00 N ATOM 896 NH2 ARG A 59 -11.854 -0.669 -62.441 1.00 0.00 N ATOM 0 H ARG A 59 -17.074 5.432 -59.945 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.338 3.615 -62.104 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.329 5.064 -61.537 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.005 4.013 -60.172 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.439 2.587 -62.764 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.009 3.599 -62.720 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.303 2.492 -60.573 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.722 1.466 -60.644 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.412 1.143 -63.132 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.764 0.663 -59.695 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.658 -0.686 -59.973 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.996 -0.588 -63.448 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.230 -1.385 -62.070 1.00 0.00 H new ATOM 910 N GLU A 60 -17.134 2.352 -59.078 1.00 0.00 N ATOM 911 CA GLU A 60 -17.286 1.126 -58.304 1.00 0.00 C ATOM 912 C GLU A 60 -18.684 1.054 -57.684 1.00 0.00 C ATOM 913 O GLU A 60 -18.884 1.495 -56.554 1.00 0.00 O ATOM 914 CB GLU A 60 -16.241 1.091 -57.186 1.00 0.00 C ATOM 915 CG GLU A 60 -16.378 -0.215 -56.402 1.00 0.00 C ATOM 916 CD GLU A 60 -15.323 -0.277 -55.302 1.00 0.00 C ATOM 917 OE1 GLU A 60 -14.544 0.656 -55.203 1.00 0.00 O ATOM 918 OE2 GLU A 60 -15.311 -1.257 -54.575 1.00 0.00 O ATOM 0 H GLU A 60 -17.062 3.201 -58.518 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.147 0.275 -58.971 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.239 1.171 -57.607 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.376 1.943 -56.520 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.374 -0.284 -55.966 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.265 -1.066 -57.074 1.00 0.00 H new ATOM 925 N PRO A 61 -19.654 0.513 -58.385 1.00 0.00 N ATOM 926 CA PRO A 61 -21.048 0.399 -57.858 1.00 0.00 C ATOM 927 C PRO A 61 -21.155 -0.554 -56.665 1.00 0.00 C ATOM 928 O PRO A 61 -22.217 -0.673 -56.055 1.00 0.00 O ATOM 929 CB PRO A 61 -21.858 -0.123 -59.049 1.00 0.00 C ATOM 930 CG PRO A 61 -20.867 -0.772 -59.955 1.00 0.00 C ATOM 931 CD PRO A 61 -19.540 -0.045 -59.745 1.00 0.00 C ATOM 0 HA PRO A 61 -21.408 1.356 -57.480 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -22.617 -0.835 -58.725 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -22.378 0.690 -59.555 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.768 -1.833 -59.724 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -21.188 -0.700 -60.994 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.693 -0.727 -59.828 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -19.392 0.739 -60.488 1.00 0.00 H new ATOM 939 N LEU A 62 -20.057 -1.229 -56.334 1.00 0.00 N ATOM 940 CA LEU A 62 -20.060 -2.159 -55.212 1.00 0.00 C ATOM 941 C LEU A 62 -20.392 -1.431 -53.911 1.00 0.00 C ATOM 942 O LEU A 62 -21.165 -1.931 -53.093 1.00 0.00 O ATOM 943 CB LEU A 62 -18.694 -2.838 -55.090 1.00 0.00 C ATOM 944 CG LEU A 62 -18.818 -4.086 -54.215 1.00 0.00 C ATOM 945 CD1 LEU A 62 -19.413 -5.230 -55.037 1.00 0.00 C ATOM 946 CD2 LEU A 62 -17.432 -4.491 -53.707 1.00 0.00 C ATOM 0 H LEU A 62 -19.164 -1.150 -56.821 1.00 0.00 H new ATOM 0 HA LEU A 62 -20.823 -2.915 -55.394 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -18.322 -3.110 -56.078 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.971 -2.148 -54.656 1.00 0.00 H new ATOM 0 HG LEU A 62 -19.469 -3.872 -53.367 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -19.501 -6.119 -54.413 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -20.400 -4.942 -55.400 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -18.763 -5.445 -55.885 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.519 -5.381 -53.083 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -16.782 -4.705 -54.555 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.007 -3.676 -53.120 1.00 0.00 H new ATOM 958 N ASN A 63 -19.809 -0.250 -53.722 1.00 0.00 N ATOM 959 CA ASN A 63 -20.063 0.523 -52.510 1.00 0.00 C ATOM 960 C ASN A 63 -21.536 0.920 -52.414 1.00 0.00 C ATOM 961 O ASN A 63 -22.017 1.282 -51.341 1.00 0.00 O ATOM 962 CB ASN A 63 -19.186 1.779 -52.482 1.00 0.00 C ATOM 963 CG ASN A 63 -19.117 2.414 -53.867 1.00 0.00 C ATOM 964 OD1 ASN A 63 -18.035 2.530 -54.441 1.00 0.00 O ATOM 965 ND2 ASN A 63 -20.210 2.842 -54.437 1.00 0.00 N ATOM 0 H ASN A 63 -19.166 0.188 -54.382 1.00 0.00 H new ATOM 0 HA ASN A 63 -19.815 -0.105 -51.654 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -19.590 2.496 -51.767 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -18.183 1.521 -52.143 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -20.168 3.274 -55.360 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -21.106 2.745 -53.959 1.00 0.00 H new ATOM 972 N TYR A 64 -22.250 0.844 -53.535 1.00 0.00 N ATOM 973 CA TYR A 64 -23.667 1.195 -53.549 1.00 0.00 C ATOM 974 C TYR A 64 -24.491 0.097 -52.886 1.00 0.00 C ATOM 975 O TYR A 64 -25.341 0.372 -52.039 1.00 0.00 O ATOM 976 CB TYR A 64 -24.144 1.390 -54.989 1.00 0.00 C ATOM 977 CG TYR A 64 -25.538 1.971 -54.983 1.00 0.00 C ATOM 978 CD1 TYR A 64 -25.719 3.354 -54.856 1.00 0.00 C ATOM 979 CD2 TYR A 64 -26.649 1.128 -55.103 1.00 0.00 C ATOM 980 CE1 TYR A 64 -27.011 3.892 -54.849 1.00 0.00 C ATOM 981 CE2 TYR A 64 -27.941 1.666 -55.097 1.00 0.00 C ATOM 982 CZ TYR A 64 -28.122 3.049 -54.970 1.00 0.00 C ATOM 983 OH TYR A 64 -29.396 3.580 -54.964 1.00 0.00 O ATOM 0 H TYR A 64 -21.875 0.546 -54.436 1.00 0.00 H new ATOM 0 HA TYR A 64 -23.799 2.124 -52.995 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.464 2.054 -55.522 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -24.138 0.437 -55.518 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -24.862 4.005 -54.764 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -26.509 0.062 -55.200 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -27.151 4.958 -54.750 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -28.798 1.015 -55.190 1.00 0.00 H new ATOM 0 HH TYR A 64 -30.052 2.858 -55.058 1.00 0.00 H new ATOM 993 N LEU A 65 -24.236 -1.147 -53.277 1.00 0.00 N ATOM 994 CA LEU A 65 -24.964 -2.279 -52.714 1.00 0.00 C ATOM 995 C LEU A 65 -24.523 -2.530 -51.271 1.00 0.00 C ATOM 996 O LEU A 65 -23.438 -2.110 -50.869 1.00 0.00 O ATOM 997 CB LEU A 65 -24.706 -3.530 -53.557 1.00 0.00 C ATOM 998 CG LEU A 65 -25.288 -3.334 -54.958 1.00 0.00 C ATOM 999 CD1 LEU A 65 -24.809 -4.465 -55.871 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -26.818 -3.353 -54.885 1.00 0.00 C ATOM 0 H LEU A 65 -23.536 -1.396 -53.976 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.030 -2.050 -52.721 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -23.635 -3.723 -53.621 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -25.159 -4.400 -53.082 1.00 0.00 H new ATOM 0 HG LEU A 65 -24.955 -2.376 -55.358 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -25.223 -4.326 -56.870 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -23.720 -4.453 -55.925 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -25.142 -5.422 -55.470 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -27.232 -3.213 -55.884 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -27.151 -4.311 -54.485 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.161 -2.549 -54.234 1.00 0.00 H new