USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 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 Single : A 11 TYR OH : rot 180:sc= -0.558 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 87:sc= -1.06! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -2.15 K(o=-2.2,f=-4.8!) USER MOD Single : A 29 ASN : amide:sc= 0.501 K(o=0.5,f=-0.23) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -47:sc= -2.59 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -7.99! C(o=-8!,f=-9.3!) USER MOD Single : A 44 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.47) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -71:sc= 0.429 USER MOD Single : A 78 MET CE :methyl -124:sc= -1.76 (180deg=-1.89) USER MOD Single : A 80 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 160:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -5.67! C(o=-5.7!,f=-5.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -113:sc= -0.964 (180deg=-1.54) USER MOD ----------------------------------------------------------------- ATOM 191 N TYR A 11 14.140 2.796 -2.283 1.00 0.00 N ATOM 192 CA TYR A 11 13.536 1.546 -2.728 1.00 0.00 C ATOM 193 C TYR A 11 12.126 1.391 -2.166 1.00 0.00 C ATOM 194 O TYR A 11 11.942 1.189 -0.966 1.00 0.00 O ATOM 195 CB TYR A 11 14.400 0.358 -2.302 1.00 0.00 C ATOM 196 CG TYR A 11 15.844 0.473 -2.735 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.183 0.540 -4.081 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.870 0.513 -1.799 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.501 0.644 -4.481 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.190 0.619 -2.190 1.00 0.00 C ATOM 201 CZ TYR A 11 18.501 0.684 -3.532 1.00 0.00 C ATOM 202 OH TYR A 11 19.816 0.788 -3.926 1.00 0.00 O ATOM 0 HA TYR A 11 13.473 1.570 -3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.361 0.262 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.976 -0.556 -2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.403 0.510 -4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.631 0.460 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.747 0.694 -5.531 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.975 0.651 -1.449 1.00 0.00 H new ATOM 0 HH TYR A 11 20.394 0.805 -3.135 1.00 0.00 H new ATOM 212 N VAL A 12 11.133 1.489 -3.044 1.00 0.00 N ATOM 213 CA VAL A 12 9.738 1.359 -2.638 1.00 0.00 C ATOM 214 C VAL A 12 8.941 0.555 -3.659 1.00 0.00 C ATOM 215 O VAL A 12 9.313 0.476 -4.830 1.00 0.00 O ATOM 216 CB VAL A 12 9.076 2.737 -2.455 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.602 2.580 -2.115 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.798 3.536 -1.381 1.00 0.00 C ATOM 0 H VAL A 12 11.268 1.658 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 12 9.734 0.833 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 12 9.151 3.285 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.151 3.564 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.097 2.050 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.500 2.013 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.317 4.507 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.757 2.995 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.839 3.679 -1.672 1.00 0.00 H new ATOM 228 N VAL A 13 7.842 -0.041 -3.208 1.00 0.00 N ATOM 229 CA VAL A 13 6.990 -0.838 -4.082 1.00 0.00 C ATOM 230 C VAL A 13 5.515 -0.596 -3.782 1.00 0.00 C ATOM 231 O VAL A 13 5.124 -0.428 -2.627 1.00 0.00 O ATOM 232 CB VAL A 13 7.291 -2.341 -3.941 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.672 -2.664 -4.492 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.174 -2.774 -2.487 1.00 0.00 C ATOM 0 H VAL A 13 7.521 0.013 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 13 7.206 -0.526 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 13 6.555 -2.897 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.867 -3.731 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.715 -2.393 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.425 -2.100 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.390 -3.839 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.886 -2.212 -1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.162 -2.581 -2.130 1.00 0.00 H new ATOM 244 N LYS A 14 4.699 -0.579 -4.831 1.00 0.00 N ATOM 245 CA LYS A 14 3.265 -0.359 -4.681 1.00 0.00 C ATOM 246 C LYS A 14 2.487 -1.643 -4.953 1.00 0.00 C ATOM 247 O LYS A 14 2.711 -2.316 -5.959 1.00 0.00 O ATOM 248 CB LYS A 14 2.796 0.745 -5.631 1.00 0.00 C ATOM 249 CG LYS A 14 1.304 0.710 -5.914 1.00 0.00 C ATOM 250 CD LYS A 14 0.927 1.664 -7.035 1.00 0.00 C ATOM 251 CE LYS A 14 0.843 3.100 -6.540 1.00 0.00 C ATOM 252 NZ LYS A 14 0.502 4.046 -7.639 1.00 0.00 N ATOM 0 H LYS A 14 5.006 -0.715 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 14 3.075 -0.050 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.054 1.714 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.338 0.657 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.007 -0.304 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.755 0.974 -5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.664 1.596 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.032 1.368 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.091 3.170 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.796 3.387 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.454 5.014 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.233 3.998 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.419 3.787 -8.046 1.00 0.00 H new ATOM 266 N LEU A 15 1.571 -1.976 -4.050 1.00 0.00 N ATOM 267 CA LEU A 15 0.758 -3.178 -4.193 1.00 0.00 C ATOM 268 C LEU A 15 -0.696 -2.821 -4.488 1.00 0.00 C ATOM 269 O LEU A 15 -1.277 -1.953 -3.836 1.00 0.00 O ATOM 270 CB LEU A 15 0.838 -4.026 -2.922 1.00 0.00 C ATOM 271 CG LEU A 15 2.238 -4.481 -2.507 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.200 -5.143 -1.138 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.820 -5.430 -3.544 1.00 0.00 C ATOM 0 H LEU A 15 1.373 -1.430 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 15 1.149 -3.753 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.404 -3.456 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.216 -4.910 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 15 2.881 -3.603 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.205 -5.460 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.826 -4.433 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.542 -6.011 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.816 -5.743 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.177 -6.305 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.884 -4.922 -4.506 1.00 0.00 H new ATOM 285 N ARG A 16 -1.277 -3.497 -5.473 1.00 0.00 N ATOM 286 CA ARG A 16 -2.663 -3.251 -5.854 1.00 0.00 C ATOM 287 C ARG A 16 -3.487 -4.533 -5.764 1.00 0.00 C ATOM 288 O ARG A 16 -2.945 -5.636 -5.822 1.00 0.00 O ATOM 289 CB ARG A 16 -2.732 -2.687 -7.274 1.00 0.00 C ATOM 290 CG ARG A 16 -4.143 -2.353 -7.729 1.00 0.00 C ATOM 291 CD ARG A 16 -4.151 -1.200 -8.721 1.00 0.00 C ATOM 292 NE ARG A 16 -3.933 -1.655 -10.091 1.00 0.00 N ATOM 293 CZ ARG A 16 -4.903 -2.110 -10.877 1.00 0.00 C ATOM 294 NH1 ARG A 16 -6.150 -2.170 -10.430 1.00 0.00 N ATOM 295 NH2 ARG A 16 -4.626 -2.506 -12.113 1.00 0.00 N ATOM 0 H ARG A 16 -0.810 -4.219 -6.022 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.080 -2.521 -5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.119 -1.787 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.298 -3.410 -7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.596 -3.232 -8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.754 -2.094 -6.864 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.105 -0.676 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.376 -0.483 -8.450 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.985 -1.622 -10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.367 -1.866 -9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.893 -2.520 -11.036 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.668 -2.461 -12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.371 -2.855 -12.716 1.00 0.00 H new ATOM 309 N GLY A 17 -4.800 -4.378 -5.622 1.00 0.00 N ATOM 310 CA GLY A 17 -5.676 -5.530 -5.526 1.00 0.00 C ATOM 311 C GLY A 17 -5.751 -6.086 -4.118 1.00 0.00 C ATOM 312 O GLY A 17 -6.172 -7.226 -3.914 1.00 0.00 O ATOM 0 H GLY A 17 -5.272 -3.475 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.676 -5.250 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.323 -6.308 -6.202 1.00 0.00 H new ATOM 316 N LEU A 18 -5.341 -5.282 -3.144 1.00 0.00 N ATOM 317 CA LEU A 18 -5.362 -5.700 -1.746 1.00 0.00 C ATOM 318 C LEU A 18 -6.787 -5.710 -1.202 1.00 0.00 C ATOM 319 O LEU A 18 -7.616 -4.869 -1.550 1.00 0.00 O ATOM 320 CB LEU A 18 -4.488 -4.771 -0.902 1.00 0.00 C ATOM 321 CG LEU A 18 -2.992 -4.784 -1.220 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.299 -3.592 -0.577 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.359 -6.087 -0.754 1.00 0.00 C ATOM 0 H LEU A 18 -4.990 -4.337 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.964 -6.713 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.855 -3.752 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.618 -5.036 0.147 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.869 -4.710 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.235 -3.618 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.734 -2.669 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.431 -3.634 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.295 -6.079 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.493 -6.192 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.836 -6.925 -1.262 1.00 0.00 H new ATOM 335 N PRO A 19 -7.079 -6.682 -0.326 1.00 0.00 N ATOM 336 CA PRO A 19 -8.403 -6.824 0.288 1.00 0.00 C ATOM 337 C PRO A 19 -8.705 -5.705 1.279 1.00 0.00 C ATOM 338 O PRO A 19 -7.806 -5.201 1.953 1.00 0.00 O ATOM 339 CB PRO A 19 -8.317 -8.170 1.011 1.00 0.00 C ATOM 340 CG PRO A 19 -6.865 -8.361 1.284 1.00 0.00 C ATOM 341 CD PRO A 19 -6.139 -7.719 0.134 1.00 0.00 C ATOM 0 HA PRO A 19 -9.203 -6.773 -0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.896 -8.161 1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.713 -8.977 0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.582 -7.900 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.618 -9.420 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.188 -7.289 0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.918 -8.439 -0.654 1.00 0.00 H new ATOM 349 N TRP A 20 -9.973 -5.321 1.363 1.00 0.00 N ATOM 350 CA TRP A 20 -10.393 -4.262 2.273 1.00 0.00 C ATOM 351 C TRP A 20 -10.021 -4.602 3.712 1.00 0.00 C ATOM 352 O TRP A 20 -10.091 -3.750 4.598 1.00 0.00 O ATOM 353 CB TRP A 20 -11.902 -4.035 2.163 1.00 0.00 C ATOM 354 CG TRP A 20 -12.293 -3.210 0.974 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.556 -2.999 -0.156 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.514 -2.483 0.801 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.246 -2.186 -1.022 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.450 -1.856 -0.459 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.656 -2.302 1.585 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.484 -1.062 -0.949 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.681 -1.514 1.098 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.590 -0.902 -0.159 1.00 0.00 C ATOM 0 H TRP A 20 -10.729 -5.727 0.812 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.874 -3.346 1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.404 -5.001 2.107 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.255 -3.544 3.069 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.575 -3.411 -0.342 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.915 -1.878 -1.936 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.736 -2.770 2.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.415 -0.589 -1.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.568 -1.367 1.697 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.409 -0.292 -0.511 1.00 0.00 H new ATOM 373 N SER A 21 -9.626 -5.850 3.938 1.00 0.00 N ATOM 374 CA SER A 21 -9.247 -6.303 5.271 1.00 0.00 C ATOM 375 C SER A 21 -7.756 -6.625 5.331 1.00 0.00 C ATOM 376 O SER A 21 -7.305 -7.366 6.206 1.00 0.00 O ATOM 377 CB SER A 21 -10.063 -7.535 5.666 1.00 0.00 C ATOM 378 OG SER A 21 -10.247 -7.596 7.070 1.00 0.00 O ATOM 0 H SER A 21 -9.560 -6.566 3.215 1.00 0.00 H new ATOM 0 HA SER A 21 -9.456 -5.498 5.975 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.033 -7.507 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.555 -8.437 5.323 1.00 0.00 H new ATOM 0 HG SER A 21 -10.773 -8.391 7.297 1.00 0.00 H new ATOM 384 N CYS A 22 -6.998 -6.063 4.397 1.00 0.00 N ATOM 385 CA CYS A 22 -5.558 -6.290 4.343 1.00 0.00 C ATOM 386 C CYS A 22 -4.860 -5.642 5.534 1.00 0.00 C ATOM 387 O CYS A 22 -5.103 -4.478 5.850 1.00 0.00 O ATOM 388 CB CYS A 22 -4.983 -5.739 3.037 1.00 0.00 C ATOM 389 SG CYS A 22 -3.247 -6.162 2.758 1.00 0.00 S ATOM 0 H CYS A 22 -7.356 -5.447 3.667 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.383 -7.365 4.384 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.576 -6.116 2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.086 -4.654 3.036 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.171 -7.320 2.173 1.00 0.00 H new ATOM 395 N SER A 23 -3.992 -6.405 6.191 1.00 0.00 N ATOM 396 CA SER A 23 -3.262 -5.907 7.351 1.00 0.00 C ATOM 397 C SER A 23 -1.757 -5.951 7.106 1.00 0.00 C ATOM 398 O SER A 23 -1.252 -6.856 6.441 1.00 0.00 O ATOM 399 CB SER A 23 -3.613 -6.730 8.592 1.00 0.00 C ATOM 400 OG SER A 23 -4.950 -6.496 8.998 1.00 0.00 O ATOM 0 H SER A 23 -3.777 -7.370 5.940 1.00 0.00 H new ATOM 0 HA SER A 23 -3.555 -4.870 7.516 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.474 -7.790 8.380 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.933 -6.476 9.405 1.00 0.00 H new ATOM 0 HG SER A 23 -5.150 -7.035 9.792 1.00 0.00 H new ATOM 406 N ILE A 24 -1.047 -4.967 7.648 1.00 0.00 N ATOM 407 CA ILE A 24 0.400 -4.893 7.489 1.00 0.00 C ATOM 408 C ILE A 24 1.019 -6.286 7.441 1.00 0.00 C ATOM 409 O ILE A 24 1.852 -6.576 6.583 1.00 0.00 O ATOM 410 CB ILE A 24 1.052 -4.093 8.633 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.652 -2.619 8.545 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.565 -4.241 8.587 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.069 -1.807 9.751 1.00 0.00 C ATOM 0 H ILE A 24 -1.450 -4.210 8.201 1.00 0.00 H new ATOM 0 HA ILE A 24 0.588 -4.381 6.545 1.00 0.00 H new ATOM 0 HB ILE A 24 0.697 -4.490 9.584 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.098 -2.183 7.651 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.429 -2.551 8.427 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.011 -3.670 9.401 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.831 -5.293 8.693 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.938 -3.866 7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.753 -0.772 9.620 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.602 -2.218 10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.153 -1.844 9.858 1.00 0.00 H new ATOM 425 N GLU A 25 0.605 -7.144 8.368 1.00 0.00 N ATOM 426 CA GLU A 25 1.119 -8.507 8.430 1.00 0.00 C ATOM 427 C GLU A 25 1.030 -9.185 7.065 1.00 0.00 C ATOM 428 O GLU A 25 2.015 -9.726 6.564 1.00 0.00 O ATOM 429 CB GLU A 25 0.344 -9.322 9.467 1.00 0.00 C ATOM 430 CG GLU A 25 0.945 -9.260 10.862 1.00 0.00 C ATOM 431 CD GLU A 25 2.456 -9.386 10.852 1.00 0.00 C ATOM 432 OE1 GLU A 25 2.981 -10.150 10.016 1.00 0.00 O ATOM 433 OE2 GLU A 25 3.112 -8.721 11.681 1.00 0.00 O ATOM 0 H GLU A 25 -0.084 -6.920 9.086 1.00 0.00 H new ATOM 0 HA GLU A 25 2.167 -8.459 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.684 -8.961 9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.304 -10.362 9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.666 -8.317 11.332 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.522 -10.058 11.472 1.00 0.00 H new ATOM 440 N ASP A 26 -0.157 -9.151 6.471 1.00 0.00 N ATOM 441 CA ASP A 26 -0.377 -9.761 5.165 1.00 0.00 C ATOM 442 C ASP A 26 0.618 -9.224 4.141 1.00 0.00 C ATOM 443 O ASP A 26 1.045 -9.943 3.237 1.00 0.00 O ATOM 444 CB ASP A 26 -1.807 -9.500 4.690 1.00 0.00 C ATOM 445 CG ASP A 26 -2.810 -10.439 5.331 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.437 -11.594 5.625 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.968 -10.020 5.537 1.00 0.00 O ATOM 0 H ASP A 26 -0.983 -8.707 6.873 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.226 -10.836 5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.080 -8.470 4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.853 -9.609 3.606 1.00 0.00 H new ATOM 452 N VAL A 27 0.983 -7.954 4.287 1.00 0.00 N ATOM 453 CA VAL A 27 1.928 -7.320 3.375 1.00 0.00 C ATOM 454 C VAL A 27 3.350 -7.806 3.632 1.00 0.00 C ATOM 455 O VAL A 27 4.037 -8.255 2.715 1.00 0.00 O ATOM 456 CB VAL A 27 1.890 -5.786 3.505 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.784 -5.139 2.458 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.461 -5.277 3.386 1.00 0.00 C ATOM 0 H VAL A 27 0.639 -7.344 5.028 1.00 0.00 H new ATOM 0 HA VAL A 27 1.629 -7.599 2.365 1.00 0.00 H new ATOM 0 HB VAL A 27 2.268 -5.512 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.744 -4.055 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.810 -5.480 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.439 -5.418 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.453 -4.191 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.053 -5.560 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.148 -5.715 4.177 1.00 0.00 H new ATOM 468 N GLN A 28 3.784 -7.712 4.885 1.00 0.00 N ATOM 469 CA GLN A 28 5.126 -8.142 5.262 1.00 0.00 C ATOM 470 C GLN A 28 5.387 -9.573 4.804 1.00 0.00 C ATOM 471 O GLN A 28 6.417 -9.862 4.197 1.00 0.00 O ATOM 472 CB GLN A 28 5.311 -8.036 6.776 1.00 0.00 C ATOM 473 CG GLN A 28 5.356 -6.604 7.285 1.00 0.00 C ATOM 474 CD GLN A 28 5.471 -6.525 8.795 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.492 -6.726 9.515 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.670 -6.231 9.283 1.00 0.00 N ATOM 0 H GLN A 28 3.227 -7.343 5.655 1.00 0.00 H new ATOM 0 HA GLN A 28 5.843 -7.486 4.769 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.495 -8.563 7.271 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.235 -8.542 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.203 -6.088 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.455 -6.080 6.965 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.454 -6.072 8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.808 -6.164 10.291 1.00 0.00 H new ATOM 485 N ASN A 29 4.448 -10.465 5.101 1.00 0.00 N ATOM 486 CA ASN A 29 4.577 -11.867 4.721 1.00 0.00 C ATOM 487 C ASN A 29 4.503 -12.029 3.206 1.00 0.00 C ATOM 488 O ASN A 29 5.195 -12.867 2.626 1.00 0.00 O ATOM 489 CB ASN A 29 3.482 -12.701 5.388 1.00 0.00 C ATOM 490 CG ASN A 29 3.633 -12.754 6.896 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.528 -13.417 7.419 1.00 0.00 O ATOM 492 ND2 ASN A 29 2.754 -12.052 7.603 1.00 0.00 N ATOM 0 H ASN A 29 3.589 -10.242 5.604 1.00 0.00 H new ATOM 0 HA ASN A 29 5.551 -12.221 5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.507 -12.282 5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.506 -13.714 4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.805 -12.049 8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.028 -11.516 7.127 1.00 0.00 H new ATOM 499 N PHE A 30 3.661 -11.221 2.570 1.00 0.00 N ATOM 500 CA PHE A 30 3.496 -11.275 1.122 1.00 0.00 C ATOM 501 C PHE A 30 4.819 -10.999 0.414 1.00 0.00 C ATOM 502 O PHE A 30 5.142 -11.633 -0.592 1.00 0.00 O ATOM 503 CB PHE A 30 2.442 -10.262 0.670 1.00 0.00 C ATOM 504 CG PHE A 30 2.218 -10.253 -0.815 1.00 0.00 C ATOM 505 CD1 PHE A 30 1.377 -11.181 -1.408 1.00 0.00 C ATOM 506 CD2 PHE A 30 2.848 -9.316 -1.618 1.00 0.00 C ATOM 507 CE1 PHE A 30 1.168 -11.175 -2.774 1.00 0.00 C ATOM 508 CE2 PHE A 30 2.643 -9.305 -2.985 1.00 0.00 C ATOM 509 CZ PHE A 30 1.803 -10.236 -3.564 1.00 0.00 C ATOM 0 H PHE A 30 3.082 -10.521 3.035 1.00 0.00 H new ATOM 0 HA PHE A 30 3.164 -12.278 0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.499 -10.483 1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.747 -9.265 0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.879 -11.918 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.507 -8.586 -1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.509 -11.903 -3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.139 -8.569 -3.600 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.643 -10.230 -4.632 1.00 0.00 H new ATOM 519 N LEU A 31 5.581 -10.049 0.945 1.00 0.00 N ATOM 520 CA LEU A 31 6.870 -9.688 0.364 1.00 0.00 C ATOM 521 C LEU A 31 8.018 -10.204 1.225 1.00 0.00 C ATOM 522 O LEU A 31 9.029 -9.524 1.401 1.00 0.00 O ATOM 523 CB LEU A 31 6.974 -8.170 0.210 1.00 0.00 C ATOM 524 CG LEU A 31 5.843 -7.494 -0.565 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.052 -5.989 -0.611 1.00 0.00 C ATOM 526 CD2 LEU A 31 5.744 -8.065 -1.972 1.00 0.00 C ATOM 0 H LEU A 31 5.329 -9.515 1.777 1.00 0.00 H new ATOM 0 HA LEU A 31 6.941 -10.152 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.021 -7.727 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.916 -7.939 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 31 4.905 -7.693 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.237 -5.525 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.070 -5.593 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.999 -5.768 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.934 -7.572 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.683 -7.898 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.544 -9.135 -1.917 1.00 0.00 H new ATOM 538 N SER A 32 7.857 -11.412 1.756 1.00 0.00 N ATOM 539 CA SER A 32 8.880 -12.019 2.599 1.00 0.00 C ATOM 540 C SER A 32 10.224 -12.060 1.879 1.00 0.00 C ATOM 541 O SER A 32 11.281 -12.024 2.510 1.00 0.00 O ATOM 542 CB SER A 32 8.463 -13.434 3.006 1.00 0.00 C ATOM 543 OG SER A 32 8.609 -14.338 1.925 1.00 0.00 O ATOM 0 H SER A 32 7.028 -11.989 1.617 1.00 0.00 H new ATOM 0 HA SER A 32 8.986 -11.408 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.070 -13.768 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.426 -13.429 3.343 1.00 0.00 H new ATOM 0 HG SER A 32 8.338 -15.236 2.210 1.00 0.00 H new ATOM 549 N ASP A 33 10.175 -12.136 0.554 1.00 0.00 N ATOM 550 CA ASP A 33 11.388 -12.181 -0.255 1.00 0.00 C ATOM 551 C ASP A 33 12.164 -10.872 -0.145 1.00 0.00 C ATOM 552 O ASP A 33 13.376 -10.837 -0.358 1.00 0.00 O ATOM 553 CB ASP A 33 11.041 -12.461 -1.718 1.00 0.00 C ATOM 554 CG ASP A 33 10.259 -11.329 -2.355 1.00 0.00 C ATOM 555 OD1 ASP A 33 9.532 -10.626 -1.623 1.00 0.00 O ATOM 556 OD2 ASP A 33 10.374 -11.147 -3.585 1.00 0.00 O ATOM 0 H ASP A 33 9.308 -12.168 0.017 1.00 0.00 H new ATOM 0 HA ASP A 33 12.017 -12.988 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.960 -12.626 -2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.459 -13.381 -1.781 1.00 0.00 H new ATOM 561 N CYS A 34 11.457 -9.798 0.188 1.00 0.00 N ATOM 562 CA CYS A 34 12.078 -8.485 0.325 1.00 0.00 C ATOM 563 C CYS A 34 12.338 -8.157 1.791 1.00 0.00 C ATOM 564 O CYS A 34 11.702 -8.714 2.686 1.00 0.00 O ATOM 565 CB CYS A 34 11.190 -7.409 -0.302 1.00 0.00 C ATOM 566 SG CYS A 34 9.927 -6.753 0.814 1.00 0.00 S ATOM 0 H CYS A 34 10.453 -9.810 0.368 1.00 0.00 H new ATOM 0 HA CYS A 34 13.034 -8.506 -0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.819 -6.588 -0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.701 -7.824 -1.183 1.00 0.00 H new ATOM 0 HG CYS A 34 9.319 -7.737 1.407 1.00 0.00 H new ATOM 572 N THR A 35 13.280 -7.249 2.031 1.00 0.00 N ATOM 573 CA THR A 35 13.627 -6.848 3.388 1.00 0.00 C ATOM 574 C THR A 35 13.055 -5.474 3.719 1.00 0.00 C ATOM 575 O THR A 35 13.773 -4.473 3.706 1.00 0.00 O ATOM 576 CB THR A 35 15.153 -6.819 3.593 1.00 0.00 C ATOM 577 OG1 THR A 35 15.706 -8.115 3.335 1.00 0.00 O ATOM 578 CG2 THR A 35 15.501 -6.386 5.009 1.00 0.00 C ATOM 0 H THR A 35 13.816 -6.778 1.302 1.00 0.00 H new ATOM 0 HA THR A 35 13.192 -7.590 4.057 1.00 0.00 H new ATOM 0 HB THR A 35 15.578 -6.097 2.895 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.677 -8.088 3.466 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.584 -6.373 5.130 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.104 -5.388 5.192 1.00 0.00 H new ATOM 0 HG23 THR A 35 15.065 -7.086 5.721 1.00 0.00 H new ATOM 586 N ILE A 36 11.761 -5.432 4.015 1.00 0.00 N ATOM 587 CA ILE A 36 11.094 -4.180 4.351 1.00 0.00 C ATOM 588 C ILE A 36 11.838 -3.441 5.458 1.00 0.00 C ATOM 589 O ILE A 36 12.197 -4.028 6.479 1.00 0.00 O ATOM 590 CB ILE A 36 9.639 -4.419 4.797 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.846 -5.101 3.680 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.984 -3.104 5.193 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.593 -5.795 4.166 1.00 0.00 C ATOM 0 H ILE A 36 11.153 -6.251 4.029 1.00 0.00 H new ATOM 0 HA ILE A 36 11.093 -3.571 3.447 1.00 0.00 H new ATOM 0 HB ILE A 36 9.644 -5.076 5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.573 -4.356 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.486 -5.830 3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.956 -3.289 5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.539 -2.655 6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.987 -2.425 4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.081 -6.256 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.861 -6.563 4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.933 -5.066 4.636 1.00 0.00 H new ATOM 605 N HIS A 37 12.067 -2.148 5.249 1.00 0.00 N ATOM 606 CA HIS A 37 12.767 -1.327 6.231 1.00 0.00 C ATOM 607 C HIS A 37 11.850 -0.979 7.400 1.00 0.00 C ATOM 608 O HIS A 37 10.728 -0.512 7.204 1.00 0.00 O ATOM 609 CB HIS A 37 13.287 -0.047 5.577 1.00 0.00 C ATOM 610 CG HIS A 37 13.530 1.066 6.550 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.760 1.308 7.125 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.692 2.006 7.047 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.667 2.348 7.935 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.423 2.790 7.905 1.00 0.00 N ATOM 0 H HIS A 37 11.778 -1.647 4.409 1.00 0.00 H new ATOM 0 HA HIS A 37 13.612 -1.900 6.613 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.216 -0.269 5.051 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.569 0.286 4.828 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.644 2.118 6.812 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.472 2.766 8.522 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.063 3.585 8.433 1.00 0.00 H new ATOM 623 N ASP A 38 12.336 -1.211 8.615 1.00 0.00 N ATOM 624 CA ASP A 38 11.561 -0.922 9.816 1.00 0.00 C ATOM 625 C ASP A 38 10.295 -1.772 9.863 1.00 0.00 C ATOM 626 O ASP A 38 9.307 -1.398 10.494 1.00 0.00 O ATOM 627 CB ASP A 38 11.195 0.563 9.867 1.00 0.00 C ATOM 628 CG ASP A 38 12.415 1.456 9.971 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.540 0.950 9.773 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.246 2.661 10.250 1.00 0.00 O ATOM 0 H ASP A 38 13.263 -1.598 8.794 1.00 0.00 H new ATOM 0 HA ASP A 38 12.175 -1.167 10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.631 0.826 8.972 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.542 0.744 10.721 1.00 0.00 H new ATOM 635 N GLY A 39 10.332 -2.919 9.191 1.00 0.00 N ATOM 636 CA GLY A 39 9.182 -3.803 9.169 1.00 0.00 C ATOM 637 C GLY A 39 7.870 -3.047 9.120 1.00 0.00 C ATOM 638 O GLY A 39 7.698 -2.137 8.309 1.00 0.00 O ATOM 0 H GLY A 39 11.138 -3.251 8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.251 -4.462 8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.199 -4.438 10.055 1.00 0.00 H new ATOM 642 N VAL A 40 6.939 -3.424 9.991 1.00 0.00 N ATOM 643 CA VAL A 40 5.634 -2.775 10.044 1.00 0.00 C ATOM 644 C VAL A 40 5.764 -1.265 9.880 1.00 0.00 C ATOM 645 O VAL A 40 4.875 -0.611 9.337 1.00 0.00 O ATOM 646 CB VAL A 40 4.911 -3.076 11.371 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.606 -4.561 11.488 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.745 -2.600 12.551 1.00 0.00 C ATOM 0 H VAL A 40 7.064 -4.175 10.669 1.00 0.00 H new ATOM 0 HA VAL A 40 5.046 -3.178 9.219 1.00 0.00 H new ATOM 0 HB VAL A 40 3.965 -2.534 11.381 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.095 -4.754 12.431 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.967 -4.867 10.660 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.537 -5.127 11.457 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.220 -2.820 13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.707 -3.113 12.547 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.907 -1.525 12.472 1.00 0.00 H new ATOM 658 N ALA A 41 6.879 -0.718 10.353 1.00 0.00 N ATOM 659 CA ALA A 41 7.127 0.715 10.257 1.00 0.00 C ATOM 660 C ALA A 41 7.672 1.087 8.882 1.00 0.00 C ATOM 661 O ALA A 41 8.339 2.108 8.722 1.00 0.00 O ATOM 662 CB ALA A 41 8.093 1.158 11.346 1.00 0.00 C ATOM 0 H ALA A 41 7.625 -1.246 10.806 1.00 0.00 H new ATOM 0 HA ALA A 41 6.178 1.233 10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.269 2.230 11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.666 0.936 12.324 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.037 0.625 11.233 1.00 0.00 H new ATOM 668 N GLY A 42 7.383 0.249 7.890 1.00 0.00 N ATOM 669 CA GLY A 42 7.853 0.507 6.541 1.00 0.00 C ATOM 670 C GLY A 42 6.749 0.381 5.509 1.00 0.00 C ATOM 671 O GLY A 42 6.926 0.759 4.351 1.00 0.00 O ATOM 0 H GLY A 42 6.832 -0.603 7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.278 1.509 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.654 -0.191 6.299 1.00 0.00 H new ATOM 675 N VAL A 43 5.607 -0.153 5.929 1.00 0.00 N ATOM 676 CA VAL A 43 4.470 -0.329 5.033 1.00 0.00 C ATOM 677 C VAL A 43 3.489 0.831 5.156 1.00 0.00 C ATOM 678 O VAL A 43 3.110 1.223 6.260 1.00 0.00 O ATOM 679 CB VAL A 43 3.728 -1.648 5.319 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.474 -1.751 4.465 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.646 -2.838 5.080 1.00 0.00 C ATOM 0 H VAL A 43 5.444 -0.471 6.884 1.00 0.00 H new ATOM 0 HA VAL A 43 4.868 -0.358 4.019 1.00 0.00 H new ATOM 0 HB VAL A 43 3.426 -1.656 6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.963 -2.689 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.811 -0.916 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.748 -1.721 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.106 -3.762 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.980 -2.837 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.511 -2.768 5.739 1.00 0.00 H new ATOM 691 N HIS A 44 3.079 1.376 4.015 1.00 0.00 N ATOM 692 CA HIS A 44 2.140 2.492 3.995 1.00 0.00 C ATOM 693 C HIS A 44 0.909 2.151 3.160 1.00 0.00 C ATOM 694 O HIS A 44 0.999 1.986 1.943 1.00 0.00 O ATOM 695 CB HIS A 44 2.816 3.746 3.440 1.00 0.00 C ATOM 696 CG HIS A 44 4.085 4.105 4.148 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.132 4.981 5.212 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.360 3.700 3.941 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.380 5.100 5.627 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.145 4.333 4.873 1.00 0.00 N ATOM 0 H HIS A 44 3.382 1.063 3.093 1.00 0.00 H new ATOM 0 HA HIS A 44 1.821 2.684 5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 44 3.030 3.595 2.382 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.122 4.584 3.509 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.697 3.008 3.184 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.717 5.720 6.445 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.155 4.228 4.967 1.00 0.00 H new ATOM 709 N PHE A 45 -0.239 2.046 3.821 1.00 0.00 N ATOM 710 CA PHE A 45 -1.487 1.723 3.140 1.00 0.00 C ATOM 711 C PHE A 45 -2.138 2.980 2.572 1.00 0.00 C ATOM 712 O PHE A 45 -1.895 4.088 3.051 1.00 0.00 O ATOM 713 CB PHE A 45 -2.452 1.026 4.102 1.00 0.00 C ATOM 714 CG PHE A 45 -2.163 -0.437 4.285 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.640 -1.370 3.379 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.415 -0.879 5.364 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.376 -2.716 3.544 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.147 -2.224 5.535 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.630 -3.144 4.624 1.00 0.00 C ATOM 0 H PHE A 45 -0.331 2.180 4.828 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.257 1.049 2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.407 1.521 5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.470 1.144 3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.226 -1.041 2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.037 -0.164 6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.753 -3.432 2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.561 -2.556 6.379 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.424 -4.196 4.757 1.00 0.00 H new ATOM 729 N ILE A 46 -2.964 2.800 1.547 1.00 0.00 N ATOM 730 CA ILE A 46 -3.650 3.919 0.913 1.00 0.00 C ATOM 731 C ILE A 46 -5.138 3.912 1.248 1.00 0.00 C ATOM 732 O ILE A 46 -5.783 2.864 1.235 1.00 0.00 O ATOM 733 CB ILE A 46 -3.479 3.891 -0.617 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.004 3.714 -0.984 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.036 5.164 -1.236 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.184 4.974 -0.812 1.00 0.00 C ATOM 0 H ILE A 46 -3.174 1.890 1.138 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.196 4.830 1.304 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.037 3.043 -1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.576 2.924 -0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.933 3.382 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.908 5.129 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.096 5.250 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.504 6.027 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.149 4.775 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.587 5.760 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.225 5.295 0.229 1.00 0.00 H new ATOM 881 N GLY A 55 -7.190 0.270 -1.536 1.00 0.00 N ATOM 882 CA GLY A 55 -6.676 -0.970 -2.088 1.00 0.00 C ATOM 883 C GLY A 55 -5.180 -0.922 -2.328 1.00 0.00 C ATOM 884 O GLY A 55 -4.496 -1.940 -2.228 1.00 0.00 O ATOM 0 HA2 GLY A 55 -6.905 -1.790 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.185 -1.184 -3.028 1.00 0.00 H new ATOM 888 N GLU A 56 -4.671 0.264 -2.647 1.00 0.00 N ATOM 889 CA GLU A 56 -3.246 0.439 -2.904 1.00 0.00 C ATOM 890 C GLU A 56 -2.469 0.570 -1.597 1.00 0.00 C ATOM 891 O GLU A 56 -2.981 1.097 -0.609 1.00 0.00 O ATOM 892 CB GLU A 56 -3.011 1.674 -3.776 1.00 0.00 C ATOM 893 CG GLU A 56 -3.434 1.487 -5.223 1.00 0.00 C ATOM 894 CD GLU A 56 -3.795 2.795 -5.899 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.082 3.796 -5.676 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.792 2.818 -6.652 1.00 0.00 O ATOM 0 H GLU A 56 -5.223 1.117 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.887 -0.444 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.558 2.517 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.953 1.933 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.625 1.008 -5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.290 0.813 -5.263 1.00 0.00 H new ATOM 903 N ALA A 57 -1.231 0.087 -1.600 1.00 0.00 N ATOM 904 CA ALA A 57 -0.383 0.151 -0.416 1.00 0.00 C ATOM 905 C ALA A 57 1.092 0.077 -0.794 1.00 0.00 C ATOM 906 O ALA A 57 1.528 -0.869 -1.450 1.00 0.00 O ATOM 907 CB ALA A 57 -0.740 -0.968 0.550 1.00 0.00 C ATOM 0 H ALA A 57 -0.793 -0.353 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.558 1.108 0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.099 -0.908 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.782 -0.868 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.595 -1.931 0.061 1.00 0.00 H new ATOM 913 N PHE A 58 1.857 1.080 -0.375 1.00 0.00 N ATOM 914 CA PHE A 58 3.284 1.128 -0.671 1.00 0.00 C ATOM 915 C PHE A 58 4.087 0.400 0.403 1.00 0.00 C ATOM 916 O PHE A 58 3.556 0.040 1.454 1.00 0.00 O ATOM 917 CB PHE A 58 3.755 2.580 -0.779 1.00 0.00 C ATOM 918 CG PHE A 58 3.157 3.319 -1.942 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.813 3.655 -1.950 1.00 0.00 C ATOM 920 CD2 PHE A 58 3.940 3.679 -3.027 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.261 4.334 -3.019 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.393 4.359 -4.099 1.00 0.00 C ATOM 923 CZ PHE A 58 2.052 4.687 -4.095 1.00 0.00 C ATOM 0 H PHE A 58 1.513 1.870 0.170 1.00 0.00 H new ATOM 0 HA PHE A 58 3.449 0.627 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.504 3.105 0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.841 2.596 -0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.190 3.383 -1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.990 3.425 -3.035 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.211 4.589 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.014 4.633 -4.939 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.622 5.218 -4.931 1.00 0.00 H new ATOM 933 N VAL A 59 5.370 0.185 0.131 1.00 0.00 N ATOM 934 CA VAL A 59 6.248 -0.499 1.072 1.00 0.00 C ATOM 935 C VAL A 59 7.702 -0.090 0.866 1.00 0.00 C ATOM 936 O VAL A 59 8.179 -0.010 -0.265 1.00 0.00 O ATOM 937 CB VAL A 59 6.132 -2.029 0.936 1.00 0.00 C ATOM 938 CG1 VAL A 59 7.098 -2.724 1.884 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.703 -2.480 1.193 1.00 0.00 C ATOM 0 H VAL A 59 5.825 0.475 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 59 5.930 -0.205 2.072 1.00 0.00 H new ATOM 0 HB VAL A 59 6.398 -2.307 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.002 -3.804 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.119 -2.425 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.866 -2.442 2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.640 -3.564 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.406 -2.191 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.037 -2.009 0.470 1.00 0.00 H new ATOM 949 N GLU A 60 8.400 0.168 1.967 1.00 0.00 N ATOM 950 CA GLU A 60 9.801 0.569 1.906 1.00 0.00 C ATOM 951 C GLU A 60 10.720 -0.641 2.041 1.00 0.00 C ATOM 952 O GLU A 60 10.467 -1.541 2.843 1.00 0.00 O ATOM 953 CB GLU A 60 10.112 1.585 3.007 1.00 0.00 C ATOM 954 CG GLU A 60 9.542 2.968 2.739 1.00 0.00 C ATOM 955 CD GLU A 60 9.784 3.931 3.884 1.00 0.00 C ATOM 956 OE1 GLU A 60 9.494 3.563 5.041 1.00 0.00 O ATOM 957 OE2 GLU A 60 10.265 5.054 3.622 1.00 0.00 O ATOM 0 H GLU A 60 8.019 0.107 2.911 1.00 0.00 H new ATOM 0 HA GLU A 60 9.978 1.031 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.716 1.215 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.193 1.663 3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.989 3.371 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.470 2.886 2.558 1.00 0.00 H new ATOM 964 N LEU A 61 11.788 -0.656 1.251 1.00 0.00 N ATOM 965 CA LEU A 61 12.747 -1.756 1.281 1.00 0.00 C ATOM 966 C LEU A 61 14.070 -1.308 1.893 1.00 0.00 C ATOM 967 O LEU A 61 14.259 -0.130 2.192 1.00 0.00 O ATOM 968 CB LEU A 61 12.981 -2.292 -0.132 1.00 0.00 C ATOM 969 CG LEU A 61 11.730 -2.697 -0.913 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.097 -3.123 -2.326 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.991 -3.815 -0.192 1.00 0.00 C ATOM 0 H LEU A 61 12.012 0.081 0.582 1.00 0.00 H new ATOM 0 HA LEU A 61 12.332 -2.551 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.511 -1.531 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.640 -3.158 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 61 11.069 -1.833 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.194 -3.408 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.582 -2.294 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.778 -3.973 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.103 -4.091 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.645 -4.682 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.694 -3.474 0.800 1.00 0.00 H new ATOM 983 N GLU A 62 14.983 -2.257 2.075 1.00 0.00 N ATOM 984 CA GLU A 62 16.289 -1.959 2.650 1.00 0.00 C ATOM 985 C GLU A 62 17.285 -1.564 1.564 1.00 0.00 C ATOM 986 O GLU A 62 17.966 -0.544 1.672 1.00 0.00 O ATOM 987 CB GLU A 62 16.817 -3.168 3.427 1.00 0.00 C ATOM 988 CG GLU A 62 18.167 -2.928 4.082 1.00 0.00 C ATOM 989 CD GLU A 62 18.208 -1.639 4.879 1.00 0.00 C ATOM 990 OE1 GLU A 62 17.332 -1.450 5.748 1.00 0.00 O ATOM 991 OE2 GLU A 62 19.117 -0.819 4.633 1.00 0.00 O ATOM 0 H GLU A 62 14.842 -3.238 1.833 1.00 0.00 H new ATOM 0 HA GLU A 62 16.173 -1.119 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.093 -3.440 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.897 -4.018 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.401 -3.765 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.940 -2.900 3.314 1.00 0.00 H new ATOM 998 N SER A 63 17.365 -2.380 0.517 1.00 0.00 N ATOM 999 CA SER A 63 18.280 -2.119 -0.587 1.00 0.00 C ATOM 1000 C SER A 63 17.581 -2.312 -1.929 1.00 0.00 C ATOM 1001 O SER A 63 16.379 -2.569 -1.983 1.00 0.00 O ATOM 1002 CB SER A 63 19.498 -3.041 -0.497 1.00 0.00 C ATOM 1003 OG SER A 63 20.187 -2.857 0.727 1.00 0.00 O ATOM 0 H SER A 63 16.807 -3.227 0.411 1.00 0.00 H new ATOM 0 HA SER A 63 18.611 -1.083 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.179 -4.080 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.171 -2.842 -1.331 1.00 0.00 H new ATOM 0 HG SER A 63 20.960 -3.458 0.761 1.00 0.00 H new ATOM 1009 N GLU A 64 18.344 -2.186 -3.011 1.00 0.00 N ATOM 1010 CA GLU A 64 17.797 -2.345 -4.353 1.00 0.00 C ATOM 1011 C GLU A 64 17.290 -3.768 -4.569 1.00 0.00 C ATOM 1012 O GLU A 64 16.120 -3.980 -4.888 1.00 0.00 O ATOM 1013 CB GLU A 64 18.857 -2.004 -5.403 1.00 0.00 C ATOM 1014 CG GLU A 64 18.310 -1.931 -6.819 1.00 0.00 C ATOM 1015 CD GLU A 64 19.233 -1.185 -7.763 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.453 -1.155 -7.500 1.00 0.00 O ATOM 1017 OE2 GLU A 64 18.734 -0.631 -8.765 1.00 0.00 O ATOM 0 H GLU A 64 19.341 -1.975 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 64 16.957 -1.659 -4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.313 -1.047 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.647 -2.754 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.151 -2.941 -7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.337 -1.439 -6.804 1.00 0.00 H new ATOM 1024 N ASP A 65 18.180 -4.739 -4.394 1.00 0.00 N ATOM 1025 CA ASP A 65 17.824 -6.142 -4.569 1.00 0.00 C ATOM 1026 C ASP A 65 16.388 -6.398 -4.123 1.00 0.00 C ATOM 1027 O ASP A 65 15.617 -7.056 -4.823 1.00 0.00 O ATOM 1028 CB ASP A 65 18.783 -7.036 -3.781 1.00 0.00 C ATOM 1029 CG ASP A 65 18.382 -7.173 -2.325 1.00 0.00 C ATOM 1030 OD1 ASP A 65 18.523 -6.184 -1.576 1.00 0.00 O ATOM 1031 OD2 ASP A 65 17.929 -8.269 -1.935 1.00 0.00 O ATOM 0 H ASP A 65 19.153 -4.580 -4.131 1.00 0.00 H new ATOM 0 HA ASP A 65 17.904 -6.382 -5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.815 -8.024 -4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 65 19.791 -6.624 -3.840 1.00 0.00 H new ATOM 1036 N ASP A 66 16.035 -5.876 -2.953 1.00 0.00 N ATOM 1037 CA ASP A 66 14.691 -6.048 -2.413 1.00 0.00 C ATOM 1038 C ASP A 66 13.637 -5.733 -3.469 1.00 0.00 C ATOM 1039 O ASP A 66 12.711 -6.515 -3.690 1.00 0.00 O ATOM 1040 CB ASP A 66 14.491 -5.150 -1.191 1.00 0.00 C ATOM 1041 CG ASP A 66 15.422 -5.509 -0.050 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.950 -6.641 -0.048 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.624 -4.657 0.841 1.00 0.00 O ATOM 0 H ASP A 66 16.661 -5.330 -2.361 1.00 0.00 H new ATOM 0 HA ASP A 66 14.577 -7.089 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.655 -4.111 -1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.458 -5.228 -0.852 1.00 0.00 H new ATOM 1048 N VAL A 67 13.782 -4.583 -4.120 1.00 0.00 N ATOM 1049 CA VAL A 67 12.843 -4.165 -5.153 1.00 0.00 C ATOM 1050 C VAL A 67 12.705 -5.230 -6.235 1.00 0.00 C ATOM 1051 O VAL A 67 11.627 -5.787 -6.440 1.00 0.00 O ATOM 1052 CB VAL A 67 13.279 -2.839 -5.805 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.233 -2.366 -6.804 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.531 -1.781 -4.742 1.00 0.00 C ATOM 0 H VAL A 67 14.542 -3.924 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 67 11.879 -4.021 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 67 14.211 -3.008 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.558 -1.428 -7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.107 -3.118 -7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.283 -2.212 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.838 -0.851 -5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.617 -1.612 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.319 -2.121 -4.070 1.00 0.00 H new ATOM 1064 N LYS A 68 13.806 -5.509 -6.925 1.00 0.00 N ATOM 1065 CA LYS A 68 13.811 -6.509 -7.986 1.00 0.00 C ATOM 1066 C LYS A 68 13.054 -7.762 -7.557 1.00 0.00 C ATOM 1067 O LYS A 68 12.300 -8.343 -8.339 1.00 0.00 O ATOM 1068 CB LYS A 68 15.248 -6.874 -8.364 1.00 0.00 C ATOM 1069 CG LYS A 68 16.101 -5.675 -8.740 1.00 0.00 C ATOM 1070 CD LYS A 68 17.530 -6.084 -9.058 1.00 0.00 C ATOM 1071 CE LYS A 68 18.516 -4.978 -8.716 1.00 0.00 C ATOM 1072 NZ LYS A 68 19.876 -5.262 -9.251 1.00 0.00 N ATOM 0 H LYS A 68 14.707 -5.056 -6.768 1.00 0.00 H new ATOM 0 HA LYS A 68 13.310 -6.082 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.714 -7.393 -7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.229 -7.572 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.664 -5.173 -9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.101 -4.956 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.784 -6.985 -8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.612 -6.331 -10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.156 -4.033 -9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.569 -4.861 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.518 -4.485 -8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.230 -6.151 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.831 -5.349 -10.286 1.00 0.00 H new ATOM 1086 N LEU A 69 13.257 -8.172 -6.310 1.00 0.00 N ATOM 1087 CA LEU A 69 12.592 -9.356 -5.776 1.00 0.00 C ATOM 1088 C LEU A 69 11.090 -9.122 -5.642 1.00 0.00 C ATOM 1089 O LEU A 69 10.283 -9.924 -6.111 1.00 0.00 O ATOM 1090 CB LEU A 69 13.185 -9.728 -4.416 1.00 0.00 C ATOM 1091 CG LEU A 69 14.684 -10.030 -4.397 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.194 -10.114 -2.967 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.977 -11.322 -5.146 1.00 0.00 C ATOM 0 H LEU A 69 13.877 -7.702 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 69 12.753 -10.179 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.991 -8.911 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.654 -10.601 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 69 15.205 -9.215 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.262 -10.330 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.019 -9.164 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.667 -10.909 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.048 -11.521 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.444 -12.146 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.649 -11.225 -6.181 1.00 0.00 H new ATOM 1105 N ALA A 70 10.723 -8.018 -5.000 1.00 0.00 N ATOM 1106 CA ALA A 70 9.319 -7.677 -4.808 1.00 0.00 C ATOM 1107 C ALA A 70 8.555 -7.735 -6.127 1.00 0.00 C ATOM 1108 O ALA A 70 7.443 -8.261 -6.189 1.00 0.00 O ATOM 1109 CB ALA A 70 9.192 -6.296 -4.182 1.00 0.00 C ATOM 0 H ALA A 70 11.379 -7.344 -4.604 1.00 0.00 H new ATOM 0 HA ALA A 70 8.881 -8.411 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.138 -6.054 -4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.696 -6.287 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.651 -5.556 -4.837 1.00 0.00 H new ATOM 1115 N LEU A 71 9.157 -7.190 -7.178 1.00 0.00 N ATOM 1116 CA LEU A 71 8.533 -7.179 -8.496 1.00 0.00 C ATOM 1117 C LEU A 71 8.238 -8.598 -8.971 1.00 0.00 C ATOM 1118 O LEU A 71 7.417 -8.808 -9.864 1.00 0.00 O ATOM 1119 CB LEU A 71 9.438 -6.469 -9.505 1.00 0.00 C ATOM 1120 CG LEU A 71 9.683 -4.981 -9.255 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.740 -4.446 -10.209 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.387 -4.196 -9.398 1.00 0.00 C ATOM 0 H LEU A 71 10.077 -6.750 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 71 7.590 -6.638 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.402 -6.978 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.002 -6.583 -10.497 1.00 0.00 H new ATOM 0 HG LEU A 71 10.048 -4.859 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.901 -3.385 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.674 -4.988 -10.059 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.404 -4.581 -11.237 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.580 -3.139 -9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.993 -4.325 -10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.659 -4.561 -8.674 1.00 0.00 H new ATOM 1134 N LYS A 72 8.912 -9.571 -8.367 1.00 0.00 N ATOM 1135 CA LYS A 72 8.721 -10.972 -8.724 1.00 0.00 C ATOM 1136 C LYS A 72 7.421 -11.511 -8.137 1.00 0.00 C ATOM 1137 O LYS A 72 6.944 -12.576 -8.530 1.00 0.00 O ATOM 1138 CB LYS A 72 9.903 -11.811 -8.232 1.00 0.00 C ATOM 1139 CG LYS A 72 11.254 -11.280 -8.679 1.00 0.00 C ATOM 1140 CD LYS A 72 12.357 -12.299 -8.446 1.00 0.00 C ATOM 1141 CE LYS A 72 13.682 -11.827 -9.027 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.696 -12.918 -9.052 1.00 0.00 N ATOM 0 H LYS A 72 9.596 -9.415 -7.627 1.00 0.00 H new ATOM 0 HA LYS A 72 8.663 -11.039 -9.810 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.880 -11.852 -7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.787 -12.833 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.213 -11.022 -9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.484 -10.363 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.470 -12.477 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.077 -13.250 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.523 -11.455 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.061 -10.992 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.584 -12.557 -9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.867 -13.256 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.346 -13.704 -9.636 1.00 0.00 H new ATOM 1156 N LYS A 73 6.851 -10.768 -7.194 1.00 0.00 N ATOM 1157 CA LYS A 73 5.604 -11.170 -6.554 1.00 0.00 C ATOM 1158 C LYS A 73 4.400 -10.668 -7.345 1.00 0.00 C ATOM 1159 O LYS A 73 3.294 -10.567 -6.813 1.00 0.00 O ATOM 1160 CB LYS A 73 5.546 -10.633 -5.122 1.00 0.00 C ATOM 1161 CG LYS A 73 6.853 -10.783 -4.363 1.00 0.00 C ATOM 1162 CD LYS A 73 7.102 -12.227 -3.961 1.00 0.00 C ATOM 1163 CE LYS A 73 6.329 -12.597 -2.704 1.00 0.00 C ATOM 1164 NZ LYS A 73 6.174 -14.071 -2.562 1.00 0.00 N ATOM 0 H LYS A 73 7.233 -9.885 -6.856 1.00 0.00 H new ATOM 0 HA LYS A 73 5.572 -12.259 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.270 -9.579 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.758 -11.155 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.677 -10.430 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.832 -10.155 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.810 -12.888 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.168 -12.380 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.846 -12.200 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.345 -12.129 -2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.642 -14.282 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.659 -14.447 -3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.113 -14.515 -2.509 1.00 0.00 H new ATOM 1178 N ASP A 74 4.622 -10.357 -8.617 1.00 0.00 N ATOM 1179 CA ASP A 74 3.554 -9.869 -9.482 1.00 0.00 C ATOM 1180 C ASP A 74 2.549 -10.976 -9.783 1.00 0.00 C ATOM 1181 O ASP A 74 2.880 -12.161 -9.727 1.00 0.00 O ATOM 1182 CB ASP A 74 4.136 -9.323 -10.787 1.00 0.00 C ATOM 1183 CG ASP A 74 4.330 -10.404 -11.832 1.00 0.00 C ATOM 1184 OD1 ASP A 74 4.548 -11.571 -11.445 1.00 0.00 O ATOM 1185 OD2 ASP A 74 4.264 -10.083 -13.037 1.00 0.00 O ATOM 0 H ASP A 74 5.532 -10.434 -9.072 1.00 0.00 H new ATOM 0 HA ASP A 74 3.035 -9.065 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.473 -8.554 -11.183 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.093 -8.844 -10.582 1.00 0.00 H new ATOM 1190 N ARG A 75 1.320 -10.583 -10.101 1.00 0.00 N ATOM 1191 CA ARG A 75 0.266 -11.542 -10.409 1.00 0.00 C ATOM 1192 C ARG A 75 0.190 -12.628 -9.339 1.00 0.00 C ATOM 1193 O ARG A 75 -0.183 -13.765 -9.622 1.00 0.00 O ATOM 1194 CB ARG A 75 0.510 -12.178 -11.779 1.00 0.00 C ATOM 1195 CG ARG A 75 -0.159 -11.434 -12.923 1.00 0.00 C ATOM 1196 CD ARG A 75 0.035 -12.156 -14.247 1.00 0.00 C ATOM 1197 NE ARG A 75 -0.548 -13.495 -14.230 1.00 0.00 N ATOM 1198 CZ ARG A 75 -0.869 -14.171 -15.328 1.00 0.00 C ATOM 1199 NH1 ARG A 75 -0.664 -13.635 -16.523 1.00 0.00 N ATOM 1200 NH2 ARG A 75 -1.395 -15.385 -15.231 1.00 0.00 N ATOM 0 H ARG A 75 1.030 -9.607 -10.152 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.683 -11.007 -10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.583 -12.222 -11.964 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.147 -13.206 -11.763 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.224 -11.330 -12.717 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.252 -10.427 -12.993 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.419 -11.573 -15.048 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.100 -12.227 -14.469 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.718 -13.935 -13.326 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.259 -12.702 -16.601 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.911 -14.156 -17.365 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.553 -15.800 -14.313 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.641 -15.903 -16.074 1.00 0.00 H new ATOM 1214 N GLU A 76 0.548 -12.267 -8.110 1.00 0.00 N ATOM 1215 CA GLU A 76 0.521 -13.210 -6.999 1.00 0.00 C ATOM 1216 C GLU A 76 -0.869 -13.274 -6.373 1.00 0.00 C ATOM 1217 O GLU A 76 -1.813 -12.658 -6.867 1.00 0.00 O ATOM 1218 CB GLU A 76 1.552 -12.815 -5.940 1.00 0.00 C ATOM 1219 CG GLU A 76 2.923 -13.429 -6.167 1.00 0.00 C ATOM 1220 CD GLU A 76 3.030 -14.838 -5.617 1.00 0.00 C ATOM 1221 OE1 GLU A 76 1.985 -15.515 -5.515 1.00 0.00 O ATOM 1222 OE2 GLU A 76 4.157 -15.263 -5.289 1.00 0.00 O ATOM 0 H GLU A 76 0.860 -11.329 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 76 0.771 -14.197 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.647 -11.729 -5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.186 -13.116 -4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.138 -13.443 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.680 -12.801 -5.697 1.00 0.00 H new ATOM 1229 N SER A 77 -0.987 -14.025 -5.282 1.00 0.00 N ATOM 1230 CA SER A 77 -2.262 -14.173 -4.590 1.00 0.00 C ATOM 1231 C SER A 77 -2.069 -14.111 -3.078 1.00 0.00 C ATOM 1232 O SER A 77 -1.401 -14.961 -2.491 1.00 0.00 O ATOM 1233 CB SER A 77 -2.925 -15.497 -4.977 1.00 0.00 C ATOM 1234 OG SER A 77 -3.470 -15.431 -6.283 1.00 0.00 O ATOM 0 H SER A 77 -0.215 -14.540 -4.859 1.00 0.00 H new ATOM 0 HA SER A 77 -2.909 -13.349 -4.891 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.193 -16.303 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.713 -15.736 -4.262 1.00 0.00 H new ATOM 0 HG SER A 77 -4.260 -14.851 -6.279 1.00 0.00 H new ATOM 1240 N MET A 78 -2.661 -13.098 -2.454 1.00 0.00 N ATOM 1241 CA MET A 78 -2.556 -12.924 -1.010 1.00 0.00 C ATOM 1242 C MET A 78 -3.858 -13.317 -0.319 1.00 0.00 C ATOM 1243 O MET A 78 -4.887 -12.666 -0.496 1.00 0.00 O ATOM 1244 CB MET A 78 -2.204 -11.474 -0.673 1.00 0.00 C ATOM 1245 CG MET A 78 -2.336 -11.144 0.805 1.00 0.00 C ATOM 1246 SD MET A 78 -2.489 -9.373 1.110 1.00 0.00 S ATOM 1247 CE MET A 78 -0.820 -8.825 0.762 1.00 0.00 C ATOM 0 H MET A 78 -3.218 -12.385 -2.925 1.00 0.00 H new ATOM 0 HA MET A 78 -1.761 -13.576 -0.648 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.181 -11.274 -0.992 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.852 -10.809 -1.245 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.209 -11.655 1.211 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.466 -11.527 1.338 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.423 -8.295 1.628 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.191 -9.689 0.545 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.829 -8.157 -0.099 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.805 -14.387 0.469 1.00 0.00 N ATOM 1258 CA GLY A 79 -4.987 -14.848 1.173 1.00 0.00 C ATOM 1259 C GLY A 79 -6.002 -15.487 0.247 1.00 0.00 C ATOM 1260 O GLY A 79 -5.932 -16.685 -0.031 1.00 0.00 O ATOM 0 H GLY A 79 -2.965 -14.942 0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.693 -15.568 1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.450 -14.007 1.689 1.00 0.00 H new ATOM 1264 N HIS A 80 -6.950 -14.687 -0.232 1.00 0.00 N ATOM 1265 CA HIS A 80 -7.985 -15.182 -1.132 1.00 0.00 C ATOM 1266 C HIS A 80 -8.190 -14.225 -2.303 1.00 0.00 C ATOM 1267 O HIS A 80 -9.203 -14.289 -2.999 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.301 -15.370 -0.376 1.00 0.00 C ATOM 1269 CG HIS A 80 -9.924 -14.084 0.071 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.198 -13.700 -0.289 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -9.441 -13.093 0.856 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -11.471 -12.526 0.254 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -10.421 -12.136 0.954 1.00 0.00 N ATOM 0 H HIS A 80 -7.022 -13.694 -0.012 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.660 -16.145 -1.525 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.005 -15.902 -1.016 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.123 -16.000 0.495 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.466 -13.061 1.319 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.396 -11.979 0.144 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.350 -11.266 1.481 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.222 -13.340 -2.513 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.297 -12.369 -3.598 1.00 0.00 C ATOM 1284 C ARG A 81 -5.951 -12.239 -4.306 1.00 0.00 C ATOM 1285 O ARG A 81 -4.926 -12.696 -3.801 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.736 -11.005 -3.061 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.190 -10.964 -2.620 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.703 -9.536 -2.522 1.00 0.00 C ATOM 1289 NE ARG A 81 -11.160 -9.481 -2.451 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.949 -9.495 -3.520 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -11.423 -9.563 -4.735 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -13.267 -9.443 -3.374 1.00 0.00 N ATOM 0 H ARG A 81 -6.376 -13.275 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.034 -12.723 -4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.101 -10.735 -2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.578 -10.252 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.802 -11.524 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.292 -11.455 -1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.279 -9.058 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.361 -8.968 -3.387 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.596 -9.429 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.410 -9.605 -4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.031 -9.574 -5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.675 -9.392 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.872 -9.454 -4.195 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.963 -11.613 -5.478 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.745 -11.426 -6.257 1.00 0.00 C ATOM 1308 C TYR A 82 -4.075 -10.100 -5.909 1.00 0.00 C ATOM 1309 O TYR A 82 -4.747 -9.112 -5.611 1.00 0.00 O ATOM 1310 CB TYR A 82 -5.059 -11.475 -7.753 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.906 -12.852 -8.359 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.693 -13.913 -7.929 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.974 -13.091 -9.362 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.555 -15.173 -8.480 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.831 -14.347 -9.919 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.624 -15.385 -9.474 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.485 -16.638 -10.026 1.00 0.00 O ATOM 0 H TYR A 82 -6.803 -11.227 -5.909 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.058 -12.235 -6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.080 -11.128 -7.913 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.401 -10.782 -8.277 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.425 -13.751 -7.151 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.351 -12.281 -9.712 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.174 -15.988 -8.133 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.103 -14.516 -10.698 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.787 -16.617 -10.714 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.747 -10.087 -5.951 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.985 -8.883 -5.643 1.00 0.00 C ATOM 1329 C ILE A 83 -1.087 -8.488 -6.810 1.00 0.00 C ATOM 1330 O ILE A 83 -0.421 -9.332 -7.407 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.119 -9.072 -4.384 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.943 -9.706 -3.261 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.539 -7.739 -3.935 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.149 -8.886 -2.860 1.00 0.00 C ATOM 0 H ILE A 83 -2.176 -10.896 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.709 -8.089 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.294 -9.742 -4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.275 -10.694 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.305 -9.849 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.071 -7.889 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.079 -7.324 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.350 -7.047 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.686 -9.396 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.823 -7.906 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.809 -8.765 -3.719 1.00 0.00 H new ATOM 1346 N GLU A 84 -1.073 -7.197 -7.128 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.255 -6.689 -8.223 1.00 0.00 C ATOM 1348 C GLU A 84 0.857 -5.786 -7.698 1.00 0.00 C ATOM 1349 O GLU A 84 0.598 -4.799 -7.010 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.122 -5.921 -9.223 1.00 0.00 C ATOM 1351 CG GLU A 84 -2.094 -6.802 -9.989 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.975 -6.011 -10.937 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -2.436 -5.165 -11.681 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -4.203 -6.238 -10.935 1.00 0.00 O ATOM 0 H GLU A 84 -1.619 -6.485 -6.643 1.00 0.00 H new ATOM 0 HA GLU A 84 0.201 -7.541 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.683 -5.154 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.474 -5.407 -9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.535 -7.547 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.722 -7.344 -9.282 1.00 0.00 H new ATOM 1361 N VAL A 85 2.098 -6.132 -8.028 1.00 0.00 N ATOM 1362 CA VAL A 85 3.250 -5.354 -7.591 1.00 0.00 C ATOM 1363 C VAL A 85 3.606 -4.278 -8.611 1.00 0.00 C ATOM 1364 O VAL A 85 3.473 -4.483 -9.818 1.00 0.00 O ATOM 1365 CB VAL A 85 4.480 -6.253 -7.360 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.668 -5.424 -6.895 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.157 -7.348 -6.355 1.00 0.00 C ATOM 0 H VAL A 85 2.330 -6.946 -8.597 1.00 0.00 H new ATOM 0 HA VAL A 85 2.973 -4.881 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 85 4.746 -6.726 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.527 -6.076 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.912 -4.680 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.418 -4.921 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.037 -7.974 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.865 -6.897 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.338 -7.959 -6.734 1.00 0.00 H new ATOM 1377 N PHE A 86 4.058 -3.130 -8.118 1.00 0.00 N ATOM 1378 CA PHE A 86 4.433 -2.020 -8.987 1.00 0.00 C ATOM 1379 C PHE A 86 5.708 -1.347 -8.490 1.00 0.00 C ATOM 1380 O PHE A 86 5.861 -1.083 -7.297 1.00 0.00 O ATOM 1381 CB PHE A 86 3.298 -0.996 -9.060 1.00 0.00 C ATOM 1382 CG PHE A 86 2.087 -1.496 -9.796 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.143 -1.750 -11.156 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.893 -1.710 -9.126 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.030 -2.210 -11.836 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.222 -2.170 -9.800 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.154 -2.419 -11.157 1.00 0.00 C ATOM 0 H PHE A 86 4.174 -2.944 -7.122 1.00 0.00 H new ATOM 0 HA PHE A 86 4.619 -2.419 -9.984 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.008 -0.714 -8.048 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.664 -0.094 -9.550 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.066 -1.587 -11.692 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.833 -1.515 -8.065 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.087 -2.405 -12.897 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.146 -2.335 -9.266 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.025 -2.776 -11.686 1.00 0.00 H new ATOM 1397 N LYS A 87 6.623 -1.071 -9.413 1.00 0.00 N ATOM 1398 CA LYS A 87 7.886 -0.428 -9.071 1.00 0.00 C ATOM 1399 C LYS A 87 7.705 1.078 -8.913 1.00 0.00 C ATOM 1400 O LYS A 87 7.345 1.773 -9.863 1.00 0.00 O ATOM 1401 CB LYS A 87 8.936 -0.716 -10.147 1.00 0.00 C ATOM 1402 CG LYS A 87 10.361 -0.721 -9.621 1.00 0.00 C ATOM 1403 CD LYS A 87 10.871 0.689 -9.376 1.00 0.00 C ATOM 1404 CE LYS A 87 12.366 0.701 -9.099 1.00 0.00 C ATOM 1405 NZ LYS A 87 13.161 0.848 -10.349 1.00 0.00 N ATOM 0 H LYS A 87 6.513 -1.283 -10.405 1.00 0.00 H new ATOM 0 HA LYS A 87 8.227 -0.837 -8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.722 -1.683 -10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.851 0.032 -10.935 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.405 -1.291 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.012 -1.225 -10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.656 1.311 -10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.340 1.127 -8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.603 1.520 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.649 -0.223 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.175 0.852 -10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.955 0.053 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.910 1.742 -10.817 1.00 0.00 H new ATOM 1419 N SER A 88 7.958 1.576 -7.707 1.00 0.00 N ATOM 1420 CA SER A 88 7.820 3.000 -7.424 1.00 0.00 C ATOM 1421 C SER A 88 8.911 3.472 -6.467 1.00 0.00 C ATOM 1422 O SER A 88 9.598 2.663 -5.843 1.00 0.00 O ATOM 1423 CB SER A 88 6.442 3.292 -6.828 1.00 0.00 C ATOM 1424 OG SER A 88 6.008 4.599 -7.162 1.00 0.00 O ATOM 0 H SER A 88 8.260 1.015 -6.910 1.00 0.00 H new ATOM 0 HA SER A 88 7.924 3.544 -8.363 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.721 2.561 -7.195 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.481 3.184 -5.744 1.00 0.00 H new ATOM 0 HG SER A 88 5.035 4.656 -7.061 1.00 0.00 H new ATOM 1430 N HIS A 89 9.064 4.788 -6.357 1.00 0.00 N ATOM 1431 CA HIS A 89 10.071 5.369 -5.476 1.00 0.00 C ATOM 1432 C HIS A 89 9.443 5.835 -4.166 1.00 0.00 C ATOM 1433 O HIS A 89 8.256 5.614 -3.922 1.00 0.00 O ATOM 1434 CB HIS A 89 10.767 6.543 -6.167 1.00 0.00 C ATOM 1435 CG HIS A 89 9.823 7.471 -6.867 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.608 8.772 -6.464 1.00 0.00 N ATOM 1437 CD2 HIS A 89 9.036 7.280 -7.952 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.729 9.341 -7.269 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.367 8.457 -8.181 1.00 0.00 N ATOM 0 H HIS A 89 8.504 5.472 -6.866 1.00 0.00 H new ATOM 0 HA HIS A 89 10.809 4.599 -5.251 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.334 7.106 -5.426 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.485 6.155 -6.890 1.00 0.00 H new ATOM 0 HD2 HIS A 89 8.950 6.371 -8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.368 10.356 -7.194 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.699 8.622 -8.934 1.00 0.00 H new ATOM 1448 N ARG A 90 10.246 6.479 -3.326 1.00 0.00 N ATOM 1449 CA ARG A 90 9.770 6.974 -2.040 1.00 0.00 C ATOM 1450 C ARG A 90 8.934 8.238 -2.220 1.00 0.00 C ATOM 1451 O ARG A 90 7.742 8.257 -1.910 1.00 0.00 O ATOM 1452 CB ARG A 90 10.950 7.258 -1.110 1.00 0.00 C ATOM 1453 CG ARG A 90 10.579 7.253 0.364 1.00 0.00 C ATOM 1454 CD ARG A 90 10.126 8.628 0.830 1.00 0.00 C ATOM 1455 NE ARG A 90 9.190 8.546 1.948 1.00 0.00 N ATOM 1456 CZ ARG A 90 9.568 8.402 3.213 1.00 0.00 C ATOM 1457 NH1 ARG A 90 10.855 8.324 3.520 1.00 0.00 N ATOM 1458 NH2 ARG A 90 8.656 8.336 4.175 1.00 0.00 N ATOM 0 H ARG A 90 11.230 6.670 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 90 9.142 6.204 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.726 6.512 -1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.377 8.228 -1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.783 6.529 0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.437 6.932 0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.995 9.215 1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.655 9.155 0.000 1.00 0.00 H new ATOM 0 HE ARG A 90 8.192 8.602 1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.559 8.375 2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.141 8.213 4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.665 8.396 3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.947 8.225 5.146 1.00 0.00 H new ATOM 1472 N THR A 91 9.567 9.293 -2.722 1.00 0.00 N ATOM 1473 CA THR A 91 8.883 10.561 -2.942 1.00 0.00 C ATOM 1474 C THR A 91 7.429 10.340 -3.343 1.00 0.00 C ATOM 1475 O THR A 91 6.512 10.802 -2.665 1.00 0.00 O ATOM 1476 CB THR A 91 9.583 11.396 -4.031 1.00 0.00 C ATOM 1477 OG1 THR A 91 10.971 11.549 -3.714 1.00 0.00 O ATOM 1478 CG2 THR A 91 8.933 12.766 -4.164 1.00 0.00 C ATOM 0 H THR A 91 10.553 9.295 -2.984 1.00 0.00 H new ATOM 0 HA THR A 91 8.918 11.106 -1.999 1.00 0.00 H new ATOM 0 HB THR A 91 9.484 10.871 -4.981 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.409 12.079 -4.412 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.444 13.338 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.884 12.646 -4.434 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.005 13.297 -3.215 1.00 0.00 H new ATOM 1486 N GLU A 92 7.227 9.630 -4.449 1.00 0.00 N ATOM 1487 CA GLU A 92 5.883 9.348 -4.939 1.00 0.00 C ATOM 1488 C GLU A 92 4.989 8.834 -3.814 1.00 0.00 C ATOM 1489 O GLU A 92 3.851 9.275 -3.661 1.00 0.00 O ATOM 1490 CB GLU A 92 5.935 8.322 -6.073 1.00 0.00 C ATOM 1491 CG GLU A 92 4.566 7.835 -6.517 1.00 0.00 C ATOM 1492 CD GLU A 92 3.973 8.687 -7.622 1.00 0.00 C ATOM 1493 OE1 GLU A 92 4.752 9.295 -8.386 1.00 0.00 O ATOM 1494 OE2 GLU A 92 2.729 8.747 -7.722 1.00 0.00 O ATOM 0 H GLU A 92 7.976 9.240 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 92 5.460 10.278 -5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.449 8.763 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.529 7.467 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.646 6.804 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.890 7.834 -5.662 1.00 0.00 H new ATOM 1501 N MET A 93 5.515 7.898 -3.030 1.00 0.00 N ATOM 1502 CA MET A 93 4.765 7.324 -1.919 1.00 0.00 C ATOM 1503 C MET A 93 4.513 8.368 -0.836 1.00 0.00 C ATOM 1504 O MET A 93 3.607 8.220 -0.016 1.00 0.00 O ATOM 1505 CB MET A 93 5.521 6.132 -1.328 1.00 0.00 C ATOM 1506 CG MET A 93 4.849 5.534 -0.103 1.00 0.00 C ATOM 1507 SD MET A 93 5.937 4.425 0.814 1.00 0.00 S ATOM 1508 CE MET A 93 7.207 5.567 1.353 1.00 0.00 C ATOM 0 H MET A 93 6.456 7.522 -3.143 1.00 0.00 H new ATOM 0 HA MET A 93 3.803 6.983 -2.301 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.620 5.360 -2.091 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.530 6.448 -1.061 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.519 6.338 0.554 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.957 4.988 -0.412 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.147 5.326 0.857 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.913 6.585 1.098 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.335 5.486 2.432 1.00 0.00 H new ATOM 1518 N ASP A 94 5.320 9.424 -0.839 1.00 0.00 N ATOM 1519 CA ASP A 94 5.184 10.493 0.142 1.00 0.00 C ATOM 1520 C ASP A 94 3.940 11.331 -0.136 1.00 0.00 C ATOM 1521 O ASP A 94 3.156 11.616 0.769 1.00 0.00 O ATOM 1522 CB ASP A 94 6.427 11.385 0.133 1.00 0.00 C ATOM 1523 CG ASP A 94 6.647 12.086 1.459 1.00 0.00 C ATOM 1524 OD1 ASP A 94 6.071 11.634 2.472 1.00 0.00 O ATOM 1525 OD2 ASP A 94 7.395 13.085 1.485 1.00 0.00 O ATOM 0 H ASP A 94 6.075 9.562 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 94 5.081 10.037 1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.302 10.781 -0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.330 12.130 -0.657 1.00 0.00 H new ATOM 1530 N TRP A 95 3.767 11.724 -1.393 1.00 0.00 N ATOM 1531 CA TRP A 95 2.618 12.530 -1.791 1.00 0.00 C ATOM 1532 C TRP A 95 1.341 11.698 -1.787 1.00 0.00 C ATOM 1533 O TRP A 95 0.322 12.108 -1.231 1.00 0.00 O ATOM 1534 CB TRP A 95 2.846 13.131 -3.179 1.00 0.00 C ATOM 1535 CG TRP A 95 2.245 12.317 -4.284 1.00 0.00 C ATOM 1536 CD1 TRP A 95 2.917 11.626 -5.252 1.00 0.00 C ATOM 1537 CD2 TRP A 95 0.851 12.111 -4.536 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.024 11.003 -6.090 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.751 11.284 -5.672 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.322 12.542 -3.911 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.476 10.883 -6.195 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.539 12.144 -4.431 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.609 11.321 -5.563 1.00 0.00 C ATOM 0 H TRP A 95 4.407 11.498 -2.154 1.00 0.00 H new ATOM 0 HA TRP A 95 2.505 13.337 -1.068 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.424 14.135 -3.206 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.917 13.231 -3.352 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.992 11.577 -5.345 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.270 10.425 -6.893 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.278 13.175 -3.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.532 10.249 -7.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.452 12.473 -3.957 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.575 11.026 -5.944 1.00 0.00 H new ATOM 1554 N VAL A 96 1.402 10.525 -2.411 1.00 0.00 N ATOM 1555 CA VAL A 96 0.250 9.634 -2.478 1.00 0.00 C ATOM 1556 C VAL A 96 -0.350 9.406 -1.095 1.00 0.00 C ATOM 1557 O VAL A 96 -1.559 9.217 -0.954 1.00 0.00 O ATOM 1558 CB VAL A 96 0.627 8.274 -3.094 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.371 8.469 -4.406 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.461 7.460 -2.115 1.00 0.00 C ATOM 0 H VAL A 96 2.237 10.170 -2.877 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.489 10.120 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.290 7.723 -3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.629 7.497 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.736 9.010 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.282 9.040 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.719 6.502 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.374 8.005 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.888 7.290 -1.203 1.00 0.00 H new ATOM 1570 N LEU A 97 0.503 9.423 -0.077 1.00 0.00 N ATOM 1571 CA LEU A 97 0.058 9.218 1.297 1.00 0.00 C ATOM 1572 C LEU A 97 -0.565 10.490 1.863 1.00 0.00 C ATOM 1573 O LEU A 97 -1.739 10.509 2.232 1.00 0.00 O ATOM 1574 CB LEU A 97 1.232 8.777 2.174 1.00 0.00 C ATOM 1575 CG LEU A 97 1.722 7.344 1.968 1.00 0.00 C ATOM 1576 CD1 LEU A 97 3.039 7.120 2.694 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.673 6.349 2.443 1.00 0.00 C ATOM 0 H LEU A 97 1.506 9.577 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.700 8.434 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.067 9.454 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.943 8.894 3.219 1.00 0.00 H new ATOM 0 HG LEU A 97 1.888 7.187 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.372 6.094 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.790 7.809 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.901 7.296 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.038 5.334 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.476 6.507 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.248 6.493 1.877 1.00 0.00 H new