USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 344 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 17 LYS NZ :NH3+ -153:sc= 0.951 (180deg=0.398) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.86 F(o=-2.6!,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ -129:sc= 0.607 (180deg=-0.365) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.699! USER MOD Single : A 40 THR OG1 : rot -90:sc= -0.627! USER MOD Single : A 46 ASN : amide:sc= -2.71! C(o=-2.7!,f=-2.4!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.437 USER MOD Single : A 50 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 12 -2.240 -1.512 -1.905 1.00 0.00 N ATOM 195 CA ARG A 12 -0.907 -2.093 -2.108 1.00 0.00 C ATOM 196 C ARG A 12 0.170 -1.036 -1.862 1.00 0.00 C ATOM 197 O ARG A 12 0.484 -0.235 -2.742 1.00 0.00 O ATOM 198 CB ARG A 12 -0.778 -2.674 -3.529 1.00 0.00 C ATOM 199 CG ARG A 12 -2.052 -3.332 -4.051 1.00 0.00 C ATOM 200 CD ARG A 12 -2.684 -4.245 -3.013 1.00 0.00 C ATOM 201 NE ARG A 12 -2.970 -5.575 -3.548 1.00 0.00 N ATOM 202 CZ ARG A 12 -3.931 -5.828 -4.434 1.00 0.00 C ATOM 203 NH1 ARG A 12 -4.689 -4.845 -4.901 1.00 0.00 N ATOM 204 NH2 ARG A 12 -4.136 -7.069 -4.854 1.00 0.00 N ATOM 0 HA ARG A 12 -0.770 -2.906 -1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.489 -1.875 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.027 -3.408 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.767 -2.561 -4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.823 -3.907 -4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.016 -4.336 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.608 -3.795 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.399 -6.356 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.537 -3.888 -4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.424 -5.046 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.557 -7.830 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.872 -7.263 -5.533 1.00 0.00 H new ATOM 218 N ILE A 13 0.704 -1.027 -0.644 1.00 0.00 N ATOM 219 CA ILE A 13 1.721 -0.056 -0.246 1.00 0.00 C ATOM 220 C ILE A 13 1.174 1.371 -0.321 1.00 0.00 C ATOM 221 O ILE A 13 0.957 1.906 -1.409 1.00 0.00 O ATOM 222 CB ILE A 13 2.996 -0.117 -1.112 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.435 -1.551 -1.402 1.00 0.00 C ATOM 224 CG2 ILE A 13 4.124 0.632 -0.415 1.00 0.00 C ATOM 225 CD1 ILE A 13 3.852 -2.324 -0.170 1.00 0.00 C ATOM 0 H ILE A 13 0.447 -1.687 0.090 1.00 0.00 H new ATOM 0 HA ILE A 13 1.984 -0.321 0.778 1.00 0.00 H new ATOM 0 HB ILE A 13 2.764 0.353 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.617 -2.079 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.267 -1.531 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.024 0.588 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.835 1.673 -0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.322 0.172 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.150 -3.333 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.691 -1.820 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.015 -2.377 0.527 1.00 0.00 H new ATOM 237 N VAL A 14 0.960 1.982 0.839 1.00 0.00 N ATOM 238 CA VAL A 14 0.450 3.352 0.894 1.00 0.00 C ATOM 239 C VAL A 14 1.589 4.352 1.058 1.00 0.00 C ATOM 240 O VAL A 14 1.435 5.532 0.744 1.00 0.00 O ATOM 241 CB VAL A 14 -0.586 3.557 2.037 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.349 2.584 3.169 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.552 4.985 2.577 1.00 0.00 C ATOM 0 H VAL A 14 1.130 1.556 1.750 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.057 3.528 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.571 3.371 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.088 2.751 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.439 1.564 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.651 2.735 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.289 5.090 3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.441 5.202 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.784 5.684 1.773 1.00 0.00 H new ATOM 253 N ASP A 15 2.730 3.888 1.551 1.00 0.00 N ATOM 254 CA ASP A 15 3.869 4.778 1.752 1.00 0.00 C ATOM 255 C ASP A 15 5.135 3.970 1.942 1.00 0.00 C ATOM 256 O ASP A 15 5.078 2.753 2.031 1.00 0.00 O ATOM 257 CB ASP A 15 3.626 5.678 2.961 1.00 0.00 C ATOM 258 CG ASP A 15 4.358 7.004 2.862 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.576 7.478 1.728 1.00 0.00 O ATOM 260 OD2 ASP A 15 4.709 7.569 3.919 1.00 0.00 O ATOM 0 H ASP A 15 2.892 2.916 1.816 1.00 0.00 H new ATOM 0 HA ASP A 15 3.986 5.406 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.557 5.865 3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.944 5.159 3.865 1.00 0.00 H new ATOM 265 N GLU A 16 6.286 4.623 1.936 1.00 0.00 N ATOM 266 CA GLU A 16 7.541 3.899 2.064 1.00 0.00 C ATOM 267 C GLU A 16 8.635 4.740 2.718 1.00 0.00 C ATOM 268 O GLU A 16 8.722 5.951 2.518 1.00 0.00 O ATOM 269 CB GLU A 16 7.994 3.403 0.687 1.00 0.00 C ATOM 270 CG GLU A 16 7.255 4.063 -0.462 1.00 0.00 C ATOM 271 CD GLU A 16 7.389 5.574 -0.464 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.511 6.070 -0.232 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.372 6.260 -0.701 1.00 0.00 O ATOM 0 H GLU A 16 6.378 5.635 1.846 1.00 0.00 H new ATOM 0 HA GLU A 16 7.366 3.047 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.063 3.587 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.849 2.324 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.635 3.669 -1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.199 3.798 -0.408 1.00 0.00 H new ATOM 280 N LYS A 17 9.489 4.058 3.471 1.00 0.00 N ATOM 281 CA LYS A 17 10.617 4.675 4.150 1.00 0.00 C ATOM 282 C LYS A 17 11.915 4.111 3.604 1.00 0.00 C ATOM 283 O LYS A 17 12.177 2.903 3.743 1.00 0.00 O ATOM 284 CB LYS A 17 10.605 4.374 5.637 1.00 0.00 C ATOM 285 CG LYS A 17 10.113 5.510 6.518 1.00 0.00 C ATOM 286 CD LYS A 17 8.892 5.113 7.339 1.00 0.00 C ATOM 287 CE LYS A 17 8.958 3.678 7.845 1.00 0.00 C ATOM 288 NZ LYS A 17 8.101 3.469 9.045 1.00 0.00 N ATOM 0 H LYS A 17 9.416 3.053 3.628 1.00 0.00 H new ATOM 0 HA LYS A 17 10.539 5.750 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.976 3.501 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.615 4.106 5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.914 5.821 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.866 6.370 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.797 5.789 8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.996 5.238 6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.643 2.999 7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.990 3.427 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.488 2.691 9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.082 4.340 9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.134 3.231 8.744 1.00 0.00 H new ATOM 302 N LEU A 18 12.730 4.968 3.011 1.00 0.00 N ATOM 303 CA LEU A 18 14.011 4.546 2.464 1.00 0.00 C ATOM 304 C LEU A 18 15.156 5.015 3.345 1.00 0.00 C ATOM 305 O LEU A 18 14.988 5.879 4.206 1.00 0.00 O ATOM 306 CB LEU A 18 14.232 5.098 1.052 1.00 0.00 C ATOM 307 CG LEU A 18 12.982 5.249 0.189 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.326 5.955 -1.115 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.364 3.887 -0.087 1.00 0.00 C ATOM 0 H LEU A 18 12.528 5.961 2.896 1.00 0.00 H new ATOM 0 HA LEU A 18 13.991 3.457 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.712 6.073 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.931 4.443 0.532 1.00 0.00 H new ATOM 0 HG LEU A 18 12.254 5.854 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.426 6.057 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.731 6.943 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.067 5.371 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.473 4.010 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.085 3.260 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.090 3.414 0.856 1.00 0.00 H new ATOM 321 N ASP A 19 16.316 4.428 3.119 1.00 0.00 N ATOM 322 CA ASP A 19 17.512 4.765 3.882 1.00 0.00 C ATOM 323 C ASP A 19 18.409 5.733 3.107 1.00 0.00 C ATOM 324 O ASP A 19 18.070 6.164 2.005 1.00 0.00 O ATOM 325 CB ASP A 19 18.277 3.484 4.220 1.00 0.00 C ATOM 326 CG ASP A 19 18.501 2.610 3.002 1.00 0.00 C ATOM 327 OD1 ASP A 19 19.017 3.125 1.988 1.00 0.00 O ATOM 328 OD2 ASP A 19 18.158 1.411 3.060 1.00 0.00 O ATOM 0 H ASP A 19 16.460 3.710 2.409 1.00 0.00 H new ATOM 0 HA ASP A 19 17.209 5.262 4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.240 3.744 4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.724 2.921 4.972 1.00 0.00 H new ATOM 333 N ARG A 20 19.573 6.040 3.679 1.00 0.00 N ATOM 334 CA ARG A 20 20.539 6.934 3.028 1.00 0.00 C ATOM 335 C ARG A 20 21.189 6.244 1.825 1.00 0.00 C ATOM 336 O ARG A 20 21.906 6.868 1.043 1.00 0.00 O ATOM 337 CB ARG A 20 21.625 7.401 4.011 1.00 0.00 C ATOM 338 CG ARG A 20 22.004 6.378 5.075 1.00 0.00 C ATOM 339 CD ARG A 20 21.584 6.840 6.462 1.00 0.00 C ATOM 340 NE ARG A 20 21.568 5.746 7.433 1.00 0.00 N ATOM 341 CZ ARG A 20 20.456 5.212 7.942 1.00 0.00 C ATOM 342 NH1 ARG A 20 19.260 5.636 7.553 1.00 0.00 N ATOM 343 NH2 ARG A 20 20.544 4.241 8.842 1.00 0.00 N ATOM 0 H ARG A 20 19.872 5.686 4.588 1.00 0.00 H new ATOM 0 HA ARG A 20 19.990 7.811 2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.519 7.665 3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.281 8.309 4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.530 5.423 4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.081 6.212 5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.267 7.617 6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.592 7.289 6.408 1.00 0.00 H new ATOM 0 HE ARG A 20 22.464 5.367 7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.183 6.378 6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.417 5.220 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.459 3.905 9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 20 19.696 3.830 9.234 1.00 0.00 H new ATOM 357 N ASN A 21 20.927 4.948 1.697 1.00 0.00 N ATOM 358 CA ASN A 21 21.460 4.149 0.619 1.00 0.00 C ATOM 359 C ASN A 21 20.488 4.134 -0.554 1.00 0.00 C ATOM 360 O ASN A 21 20.821 3.684 -1.651 1.00 0.00 O ATOM 361 CB ASN A 21 21.721 2.724 1.106 1.00 0.00 C ATOM 362 CG ASN A 21 21.843 2.614 2.614 1.00 0.00 C ATOM 363 OD1 ASN A 21 21.150 1.641 3.190 1.00 0.00 O flip ATOM 364 ND2 ASN A 21 22.553 3.392 3.252 1.00 0.00 N flip ATOM 0 H ASN A 21 20.336 4.427 2.345 1.00 0.00 H new ATOM 0 HA ASN A 21 22.401 4.587 0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 21 20.911 2.078 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.638 2.354 0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.069 4.126 2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.625 3.302 4.265 1.00 0.00 H new ATOM 371 N GLY A 22 19.284 4.635 -0.307 1.00 0.00 N ATOM 372 CA GLY A 22 18.265 4.682 -1.325 1.00 0.00 C ATOM 373 C GLY A 22 17.489 3.385 -1.411 1.00 0.00 C ATOM 374 O GLY A 22 16.707 3.171 -2.338 1.00 0.00 O ATOM 0 H GLY A 22 18.997 5.014 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.579 5.502 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.726 4.893 -2.290 1.00 0.00 H new ATOM 378 N ALA A 23 17.715 2.523 -0.432 1.00 0.00 N ATOM 379 CA ALA A 23 17.063 1.241 -0.358 1.00 0.00 C ATOM 380 C ALA A 23 15.792 1.353 0.458 1.00 0.00 C ATOM 381 O ALA A 23 15.624 2.279 1.250 1.00 0.00 O ATOM 382 CB ALA A 23 18.008 0.221 0.252 1.00 0.00 C ATOM 0 H ALA A 23 18.362 2.702 0.336 1.00 0.00 H new ATOM 0 HA ALA A 23 16.797 0.911 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.512 -0.748 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 23 18.901 0.137 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.291 0.541 1.255 1.00 0.00 H new ATOM 388 N VAL A 24 14.898 0.416 0.246 1.00 0.00 N ATOM 389 CA VAL A 24 13.624 0.406 0.942 1.00 0.00 C ATOM 390 C VAL A 24 13.718 -0.382 2.237 1.00 0.00 C ATOM 391 O VAL A 24 13.841 -1.604 2.222 1.00 0.00 O ATOM 392 CB VAL A 24 12.543 -0.186 0.039 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.169 -0.014 0.666 1.00 0.00 C ATOM 394 CG2 VAL A 24 12.623 0.474 -1.333 1.00 0.00 C ATOM 0 H VAL A 24 15.027 -0.357 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 24 13.359 1.434 1.191 1.00 0.00 H new ATOM 0 HB VAL A 24 12.708 -1.257 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.413 -0.442 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.142 -0.524 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.965 1.047 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.854 0.056 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.467 1.548 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.605 0.290 -1.768 1.00 0.00 H new ATOM 404 N LYS A 25 13.690 0.328 3.356 1.00 0.00 N ATOM 405 CA LYS A 25 13.803 -0.311 4.655 1.00 0.00 C ATOM 406 C LYS A 25 12.445 -0.661 5.253 1.00 0.00 C ATOM 407 O LYS A 25 12.324 -1.657 5.968 1.00 0.00 O ATOM 408 CB LYS A 25 14.588 0.583 5.622 1.00 0.00 C ATOM 409 CG LYS A 25 16.065 0.697 5.280 1.00 0.00 C ATOM 410 CD LYS A 25 16.881 -0.398 5.950 1.00 0.00 C ATOM 411 CE LYS A 25 16.984 -1.641 5.079 1.00 0.00 C ATOM 412 NZ LYS A 25 17.768 -1.395 3.837 1.00 0.00 N ATOM 0 H LYS A 25 13.590 1.343 3.389 1.00 0.00 H new ATOM 0 HA LYS A 25 14.341 -1.247 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.146 1.579 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.487 0.188 6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.194 0.638 4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.437 1.672 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.881 -0.024 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.423 -0.660 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.452 -2.444 5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.983 -1.980 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.225 -1.722 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.960 -0.377 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.668 -1.914 3.886 1.00 0.00 H new ATOM 426 N LEU A 26 11.421 0.150 4.985 1.00 0.00 N ATOM 427 CA LEU A 26 10.096 -0.123 5.553 1.00 0.00 C ATOM 428 C LEU A 26 8.976 0.384 4.660 1.00 0.00 C ATOM 429 O LEU A 26 9.198 1.244 3.823 1.00 0.00 O ATOM 430 CB LEU A 26 9.983 0.571 6.905 1.00 0.00 C ATOM 431 CG LEU A 26 10.071 -0.339 8.122 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.501 0.464 9.340 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.738 -1.023 8.371 1.00 0.00 C ATOM 0 H LEU A 26 11.476 0.980 4.395 1.00 0.00 H new ATOM 0 HA LEU A 26 9.994 -1.204 5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.772 1.320 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.033 1.105 6.941 1.00 0.00 H new ATOM 0 HG LEU A 26 10.817 -1.111 7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.562 -0.194 10.207 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.478 0.911 9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.772 1.251 9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.819 -1.670 9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.970 -0.270 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.468 -1.621 7.501 1.00 0.00 H new ATOM 445 N TYR A 27 7.765 -0.145 4.831 1.00 0.00 N ATOM 446 CA TYR A 27 6.619 0.290 4.031 1.00 0.00 C ATOM 447 C TYR A 27 5.400 0.517 4.920 1.00 0.00 C ATOM 448 O TYR A 27 5.211 -0.171 5.924 1.00 0.00 O ATOM 449 CB TYR A 27 6.203 -0.765 2.996 1.00 0.00 C ATOM 450 CG TYR A 27 7.111 -0.913 1.806 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.213 0.081 0.850 1.00 0.00 C ATOM 452 CD2 TYR A 27 7.844 -2.067 1.634 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.028 -0.074 -0.252 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.662 -2.241 0.542 1.00 0.00 C ATOM 455 CZ TYR A 27 8.753 -1.241 -0.405 1.00 0.00 C ATOM 456 OH TYR A 27 9.570 -1.407 -1.501 1.00 0.00 O ATOM 0 H TYR A 27 7.552 -0.873 5.513 1.00 0.00 H new ATOM 0 HA TYR A 27 6.934 1.206 3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.134 -1.730 3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.203 -0.519 2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.646 0.993 0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.775 -2.852 2.373 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.099 0.711 -0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.229 -3.153 0.426 1.00 0.00 H new ATOM 0 HH TYR A 27 10.008 -2.283 -1.453 1.00 0.00 H new ATOM 466 N ARG A 28 4.554 1.441 4.499 1.00 0.00 N ATOM 467 CA ARG A 28 3.315 1.736 5.188 1.00 0.00 C ATOM 468 C ARG A 28 2.180 1.119 4.407 1.00 0.00 C ATOM 469 O ARG A 28 2.052 1.376 3.194 1.00 0.00 O ATOM 470 CB ARG A 28 3.070 3.237 5.298 1.00 0.00 C ATOM 471 CG ARG A 28 1.746 3.591 5.961 1.00 0.00 C ATOM 472 CD ARG A 28 1.677 5.066 6.304 1.00 0.00 C ATOM 473 NE ARG A 28 0.348 5.630 6.065 1.00 0.00 N ATOM 474 CZ ARG A 28 -0.507 5.971 7.030 1.00 0.00 C ATOM 475 NH1 ARG A 28 -0.198 5.787 8.308 1.00 0.00 N ATOM 476 NH2 ARG A 28 -1.681 6.498 6.713 1.00 0.00 N ATOM 0 H ARG A 28 4.710 2.009 3.666 1.00 0.00 H new ATOM 0 HA ARG A 28 3.377 1.329 6.197 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.883 3.689 5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.096 3.675 4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.923 3.332 5.295 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.621 2.999 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.946 5.206 7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.412 5.610 5.710 1.00 0.00 H new ATOM 0 HE ARG A 28 0.057 5.771 5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.702 5.380 8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.861 6.052 9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.928 6.641 5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.338 6.760 7.448 1.00 0.00 H new ATOM 490 N ILE A 29 1.382 0.303 5.104 1.00 0.00 N ATOM 491 CA ILE A 29 0.242 -0.392 4.503 1.00 0.00 C ATOM 492 C ILE A 29 -1.073 0.083 5.118 1.00 0.00 C ATOM 493 O ILE A 29 -1.250 0.026 6.335 1.00 0.00 O ATOM 494 CB ILE A 29 0.359 -1.917 4.717 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.690 -2.434 4.145 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.838 -2.646 4.109 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.587 -3.060 2.770 1.00 0.00 C ATOM 0 H ILE A 29 1.509 0.107 6.097 1.00 0.00 H new ATOM 0 HA ILE A 29 0.249 -0.166 3.437 1.00 0.00 H new ATOM 0 HB ILE A 29 0.352 -2.122 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.397 -1.605 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.105 -3.170 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.732 -3.718 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.756 -2.295 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.881 -2.445 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.573 -3.395 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.909 -3.912 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.205 -2.324 2.063 1.00 0.00 H new ATOM 509 N ARG A 30 -2.004 0.521 4.276 1.00 0.00 N ATOM 510 CA ARG A 30 -3.299 0.983 4.757 1.00 0.00 C ATOM 511 C ARG A 30 -4.338 -0.129 4.721 1.00 0.00 C ATOM 512 O ARG A 30 -4.202 -1.109 3.989 1.00 0.00 O ATOM 513 CB ARG A 30 -3.804 2.172 3.937 1.00 0.00 C ATOM 514 CG ARG A 30 -5.022 2.840 4.558 1.00 0.00 C ATOM 515 CD ARG A 30 -5.573 3.963 3.695 1.00 0.00 C ATOM 516 NE ARG A 30 -7.028 4.053 3.811 1.00 0.00 N ATOM 517 CZ ARG A 30 -7.728 5.162 3.583 1.00 0.00 C ATOM 518 NH1 ARG A 30 -7.117 6.272 3.194 1.00 0.00 N ATOM 519 NH2 ARG A 30 -9.044 5.157 3.745 1.00 0.00 N ATOM 0 H ARG A 30 -1.886 0.565 3.264 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.155 1.297 5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.004 2.905 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.053 1.834 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.800 2.093 4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.755 3.236 5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.122 4.909 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.298 3.794 2.654 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.539 3.213 4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.105 6.280 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.659 7.119 3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.518 4.305 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.582 6.006 3.571 1.00 0.00 H new ATOM 668 N ASP A 39 -3.978 0.675 10.649 1.00 0.00 N ATOM 669 CA ASP A 39 -2.875 0.960 9.745 1.00 0.00 C ATOM 670 C ASP A 39 -1.548 0.755 10.459 1.00 0.00 C ATOM 671 O ASP A 39 -1.355 1.249 11.571 1.00 0.00 O ATOM 672 CB ASP A 39 -2.980 2.398 9.232 1.00 0.00 C ATOM 673 CG ASP A 39 -2.306 2.581 7.887 1.00 0.00 C ATOM 674 OD1 ASP A 39 -1.147 2.139 7.740 1.00 0.00 O ATOM 675 OD2 ASP A 39 -2.934 3.168 6.981 1.00 0.00 O ATOM 0 HA ASP A 39 -2.926 0.277 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.031 2.676 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.527 3.074 9.957 1.00 0.00 H new ATOM 680 N THR A 40 -0.632 0.027 9.831 1.00 0.00 N ATOM 681 CA THR A 40 0.667 -0.236 10.428 1.00 0.00 C ATOM 682 C THR A 40 1.735 -0.374 9.348 1.00 0.00 C ATOM 683 O THR A 40 1.445 -0.286 8.148 1.00 0.00 O ATOM 684 CB THR A 40 0.619 -1.508 11.281 1.00 0.00 C ATOM 685 OG1 THR A 40 1.914 -2.054 11.460 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.255 -2.592 10.690 1.00 0.00 C ATOM 0 H THR A 40 -0.767 -0.390 8.910 1.00 0.00 H new ATOM 0 HA THR A 40 0.923 0.608 11.069 1.00 0.00 H new ATOM 0 HB THR A 40 0.193 -1.193 12.233 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.104 -2.689 10.738 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.245 -3.464 11.343 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.276 -2.223 10.593 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.125 -2.870 9.707 1.00 0.00 H new ATOM 694 N TRP A 41 2.971 -0.575 9.782 1.00 0.00 N ATOM 695 CA TRP A 41 4.088 -0.714 8.870 1.00 0.00 C ATOM 696 C TRP A 41 4.707 -2.101 8.966 1.00 0.00 C ATOM 697 O TRP A 41 4.652 -2.764 10.002 1.00 0.00 O ATOM 698 CB TRP A 41 5.158 0.342 9.164 1.00 0.00 C ATOM 699 CG TRP A 41 4.601 1.721 9.300 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.685 2.147 10.213 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.919 2.854 8.488 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.402 3.476 10.013 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.153 3.937 8.961 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.776 3.055 7.404 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.222 5.204 8.385 1.00 0.00 C ATOM 706 CZ3 TRP A 41 5.844 4.309 6.833 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.072 5.371 7.324 1.00 0.00 C ATOM 0 H TRP A 41 3.223 -0.645 10.768 1.00 0.00 H new ATOM 0 HA TRP A 41 3.706 -0.570 7.859 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.680 0.075 10.083 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.898 0.333 8.364 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.245 1.530 10.982 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.741 4.030 10.558 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.375 2.243 7.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.628 6.024 8.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.503 4.475 5.994 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.149 6.341 6.856 1.00 0.00 H new ATOM 718 N GLU A 42 5.320 -2.498 7.873 1.00 0.00 N ATOM 719 CA GLU A 42 5.993 -3.760 7.755 1.00 0.00 C ATOM 720 C GLU A 42 7.192 -3.600 6.833 1.00 0.00 C ATOM 721 O GLU A 42 7.192 -2.723 5.974 1.00 0.00 O ATOM 722 CB GLU A 42 5.049 -4.812 7.186 1.00 0.00 C ATOM 723 CG GLU A 42 3.570 -4.474 7.315 1.00 0.00 C ATOM 724 CD GLU A 42 2.676 -5.618 6.882 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.625 -5.902 5.667 1.00 0.00 O ATOM 726 OE2 GLU A 42 2.029 -6.231 7.756 1.00 0.00 O ATOM 0 H GLU A 42 5.362 -1.934 7.024 1.00 0.00 H new ATOM 0 HA GLU A 42 6.323 -4.084 8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.284 -4.959 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.237 -5.760 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.348 -4.215 8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.347 -3.594 6.712 1.00 0.00 H new ATOM 733 N PRO A 43 8.220 -4.445 6.964 1.00 0.00 N ATOM 734 CA PRO A 43 9.377 -4.358 6.087 1.00 0.00 C ATOM 735 C PRO A 43 8.970 -4.630 4.644 1.00 0.00 C ATOM 736 O PRO A 43 7.828 -4.997 4.378 1.00 0.00 O ATOM 737 CB PRO A 43 10.346 -5.428 6.598 1.00 0.00 C ATOM 738 CG PRO A 43 9.764 -5.960 7.872 1.00 0.00 C ATOM 739 CD PRO A 43 8.317 -5.544 7.929 1.00 0.00 C ATOM 0 HA PRO A 43 9.831 -3.367 6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.465 -6.225 5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.335 -5.004 6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.850 -7.046 7.907 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.308 -5.569 8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.655 -6.368 7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.035 -5.220 8.931 1.00 0.00 H new ATOM 747 N PRO A 44 9.904 -4.512 3.694 1.00 0.00 N ATOM 748 CA PRO A 44 9.629 -4.764 2.281 1.00 0.00 C ATOM 749 C PRO A 44 9.788 -6.225 1.921 1.00 0.00 C ATOM 750 O PRO A 44 9.003 -6.795 1.162 1.00 0.00 O ATOM 751 CB PRO A 44 10.702 -3.920 1.623 1.00 0.00 C ATOM 752 CG PRO A 44 11.864 -4.076 2.491 1.00 0.00 C ATOM 753 CD PRO A 44 11.324 -4.169 3.905 1.00 0.00 C ATOM 0 HA PRO A 44 8.609 -4.523 1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.913 -4.263 0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.398 -2.876 1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.428 -4.971 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.543 -3.230 2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.842 -4.932 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.437 -3.228 4.443 1.00 0.00 H new ATOM 761 N GLU A 45 10.837 -6.809 2.453 1.00 0.00 N ATOM 762 CA GLU A 45 11.148 -8.212 2.206 1.00 0.00 C ATOM 763 C GLU A 45 9.987 -9.107 2.640 1.00 0.00 C ATOM 764 O GLU A 45 9.837 -10.225 2.147 1.00 0.00 O ATOM 765 CB GLU A 45 12.430 -8.612 2.936 1.00 0.00 C ATOM 766 CG GLU A 45 13.638 -7.783 2.533 1.00 0.00 C ATOM 767 CD GLU A 45 14.949 -8.416 2.956 1.00 0.00 C ATOM 768 OE1 GLU A 45 15.146 -8.616 4.173 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.779 -8.709 2.071 1.00 0.00 O ATOM 0 H GLU A 45 11.500 -6.335 3.067 1.00 0.00 H new ATOM 0 HA GLU A 45 11.302 -8.344 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.273 -8.514 4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.638 -9.664 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.637 -7.648 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.558 -6.791 2.978 1.00 0.00 H new ATOM 776 N ASN A 46 9.153 -8.596 3.544 1.00 0.00 N ATOM 777 CA ASN A 46 7.994 -9.325 4.014 1.00 0.00 C ATOM 778 C ASN A 46 6.982 -9.410 2.885 1.00 0.00 C ATOM 779 O ASN A 46 6.246 -10.388 2.753 1.00 0.00 O ATOM 780 CB ASN A 46 7.376 -8.607 5.208 1.00 0.00 C ATOM 781 CG ASN A 46 8.102 -8.877 6.509 1.00 0.00 C ATOM 782 OD1 ASN A 46 9.212 -9.410 6.522 1.00 0.00 O ATOM 783 ND2 ASN A 46 7.470 -8.508 7.618 1.00 0.00 N ATOM 0 H ASN A 46 9.266 -7.673 3.963 1.00 0.00 H new ATOM 0 HA ASN A 46 8.290 -10.327 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.374 -7.534 5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.335 -8.915 5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.904 -8.663 8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.551 -8.069 7.559 1.00 0.00 H new ATOM 790 N LEU A 47 6.964 -8.360 2.071 1.00 0.00 N ATOM 791 CA LEU A 47 6.063 -8.283 0.934 1.00 0.00 C ATOM 792 C LEU A 47 6.611 -9.088 -0.238 1.00 0.00 C ATOM 793 O LEU A 47 6.319 -8.788 -1.396 1.00 0.00 O ATOM 794 CB LEU A 47 5.873 -6.848 0.460 1.00 0.00 C ATOM 795 CG LEU A 47 6.335 -5.729 1.395 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.488 -4.449 0.605 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.367 -5.516 2.539 1.00 0.00 C ATOM 0 H LEU A 47 7.569 -7.546 2.182 1.00 0.00 H new ATOM 0 HA LEU A 47 5.107 -8.687 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.400 -6.734 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.813 -6.699 0.255 1.00 0.00 H new ATOM 0 HG LEU A 47 7.293 -6.021 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.817 -3.649 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.227 -4.594 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.530 -4.180 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.732 -4.713 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.388 -5.247 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.283 -6.434 3.120 1.00 0.00 H new ATOM 809 N SER A 48 7.405 -10.102 0.055 1.00 0.00 N ATOM 810 CA SER A 48 7.981 -10.939 -0.986 1.00 0.00 C ATOM 811 C SER A 48 6.885 -11.704 -1.715 1.00 0.00 C ATOM 812 O SER A 48 6.768 -11.633 -2.938 1.00 0.00 O ATOM 813 CB SER A 48 8.987 -11.923 -0.385 1.00 0.00 C ATOM 814 OG SER A 48 8.336 -12.888 0.425 1.00 0.00 O ATOM 0 H SER A 48 7.667 -10.367 1.005 1.00 0.00 H new ATOM 0 HA SER A 48 8.499 -10.295 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.533 -12.424 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.721 -11.380 0.210 1.00 0.00 H new ATOM 0 HG SER A 48 9.000 -13.506 0.796 1.00 0.00 H new ATOM 820 N GLY A 49 6.093 -12.449 -0.952 1.00 0.00 N ATOM 821 CA GLY A 49 5.023 -13.229 -1.533 1.00 0.00 C ATOM 822 C GLY A 49 3.860 -12.384 -2.017 1.00 0.00 C ATOM 823 O GLY A 49 2.940 -12.903 -2.650 1.00 0.00 O ATOM 0 H GLY A 49 6.176 -12.525 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.416 -13.807 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.661 -13.944 -0.794 1.00 0.00 H new ATOM 827 N CYS A 50 3.879 -11.085 -1.711 1.00 0.00 N ATOM 828 CA CYS A 50 2.797 -10.203 -2.129 1.00 0.00 C ATOM 829 C CYS A 50 2.514 -10.370 -3.613 1.00 0.00 C ATOM 830 O CYS A 50 1.467 -10.897 -3.992 1.00 0.00 O ATOM 831 CB CYS A 50 3.142 -8.751 -1.800 1.00 0.00 C ATOM 832 SG CYS A 50 2.320 -8.115 -0.320 1.00 0.00 S ATOM 0 H CYS A 50 4.623 -10.629 -1.182 1.00 0.00 H new ATOM 0 HA CYS A 50 1.894 -10.474 -1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.221 -8.666 -1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.874 -8.123 -2.650 1.00 0.00 H new ATOM 0 HG CYS A 50 2.676 -6.880 -0.122 1.00 0.00 H new ATOM 838 N SER A 51 3.439 -9.936 -4.456 1.00 0.00 N ATOM 839 CA SER A 51 3.314 -10.042 -5.908 1.00 0.00 C ATOM 840 C SER A 51 2.382 -8.986 -6.499 1.00 0.00 C ATOM 841 O SER A 51 2.824 -8.120 -7.265 1.00 0.00 O ATOM 842 CB SER A 51 2.842 -11.443 -6.311 1.00 0.00 C ATOM 843 OG SER A 51 3.141 -11.712 -7.670 1.00 0.00 O ATOM 0 H SER A 51 4.307 -9.496 -4.152 1.00 0.00 H new ATOM 0 HA SER A 51 4.308 -9.862 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.321 -12.188 -5.676 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.768 -11.529 -6.148 1.00 0.00 H new ATOM 0 HG SER A 51 2.831 -12.613 -7.901 1.00 0.00 H new ATOM 849 N ALA A 52 1.106 -9.034 -6.142 1.00 0.00 N ATOM 850 CA ALA A 52 0.155 -8.060 -6.658 1.00 0.00 C ATOM 851 C ALA A 52 0.390 -6.710 -6.010 1.00 0.00 C ATOM 852 O ALA A 52 0.477 -5.680 -6.683 1.00 0.00 O ATOM 853 CB ALA A 52 -1.272 -8.528 -6.416 1.00 0.00 C ATOM 0 H ALA A 52 0.710 -9.726 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 52 0.303 -7.962 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.969 -7.788 -6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.433 -9.481 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.438 -8.651 -5.346 1.00 0.00 H new ATOM 859 N VAL A 53 0.487 -6.730 -4.693 1.00 0.00 N ATOM 860 CA VAL A 53 0.707 -5.522 -3.920 1.00 0.00 C ATOM 861 C VAL A 53 1.960 -4.794 -4.387 1.00 0.00 C ATOM 862 O VAL A 53 1.936 -3.585 -4.666 1.00 0.00 O ATOM 863 CB VAL A 53 0.845 -5.847 -2.416 1.00 0.00 C ATOM 864 CG1 VAL A 53 1.082 -4.589 -1.591 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.374 -6.604 -1.910 1.00 0.00 C ATOM 0 H VAL A 53 0.416 -7.579 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.160 -4.879 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 53 1.719 -6.488 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.174 -4.856 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.999 -4.103 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.242 -3.906 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.253 -6.821 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.267 -5.996 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.477 -7.538 -2.462 1.00 0.00 H new ATOM 875 N LEU A 54 3.056 -5.534 -4.489 1.00 0.00 N ATOM 876 CA LEU A 54 4.304 -4.955 -4.933 1.00 0.00 C ATOM 877 C LEU A 54 4.149 -4.390 -6.315 1.00 0.00 C ATOM 878 O LEU A 54 4.626 -3.305 -6.597 1.00 0.00 O ATOM 879 CB LEU A 54 5.423 -6.000 -4.963 1.00 0.00 C ATOM 880 CG LEU A 54 5.717 -6.702 -3.641 1.00 0.00 C ATOM 881 CD1 LEU A 54 6.975 -7.548 -3.764 1.00 0.00 C ATOM 882 CD2 LEU A 54 5.866 -5.682 -2.514 1.00 0.00 C ATOM 0 H LEU A 54 3.101 -6.529 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 54 4.567 -4.167 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.167 -6.757 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.337 -5.515 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 54 4.879 -7.357 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.174 -8.044 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.834 -8.298 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.819 -6.909 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.075 -6.201 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.687 -5.003 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.942 -5.113 -2.414 1.00 0.00 H new ATOM 894 N ALA A 55 3.508 -5.148 -7.184 1.00 0.00 N ATOM 895 CA ALA A 55 3.338 -4.715 -8.555 1.00 0.00 C ATOM 896 C ALA A 55 2.594 -3.388 -8.677 1.00 0.00 C ATOM 897 O ALA A 55 2.959 -2.564 -9.534 1.00 0.00 O ATOM 898 CB ALA A 55 2.637 -5.791 -9.367 1.00 0.00 C ATOM 0 H ALA A 55 3.101 -6.058 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 55 4.338 -4.549 -8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.517 -5.450 -10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.234 -6.703 -9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.657 -5.993 -8.935 1.00 0.00 H new ATOM 904 N GLU A 56 1.556 -3.135 -7.854 1.00 0.00 N ATOM 905 CA GLU A 56 0.858 -1.882 -8.011 1.00 0.00 C ATOM 906 C GLU A 56 1.765 -0.780 -7.512 1.00 0.00 C ATOM 907 O GLU A 56 1.840 0.294 -8.103 1.00 0.00 O ATOM 908 CB GLU A 56 -0.473 -1.849 -7.250 1.00 0.00 C ATOM 909 CG GLU A 56 -0.464 -0.922 -6.053 1.00 0.00 C ATOM 910 CD GLU A 56 -1.858 -0.664 -5.505 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.839 -0.896 -6.242 1.00 0.00 O ATOM 912 OE2 GLU A 56 -1.966 -0.224 -4.341 1.00 0.00 O ATOM 0 H GLU A 56 1.211 -3.753 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 56 0.615 -1.749 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.265 -1.540 -7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.716 -2.858 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.157 -1.354 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.007 0.026 -6.336 1.00 0.00 H new ATOM 919 N TRP A 57 2.463 -1.054 -6.410 1.00 0.00 N ATOM 920 CA TRP A 57 3.351 -0.057 -5.848 1.00 0.00 C ATOM 921 C TRP A 57 4.428 0.346 -6.847 1.00 0.00 C ATOM 922 O TRP A 57 4.501 1.511 -7.227 1.00 0.00 O ATOM 923 CB TRP A 57 3.972 -0.540 -4.545 1.00 0.00 C ATOM 924 CG TRP A 57 4.577 0.589 -3.787 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.852 0.675 -3.340 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.936 1.819 -3.431 1.00 0.00 C ATOM 927 NE1 TRP A 57 6.051 1.878 -2.729 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.888 2.604 -2.773 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.647 2.330 -3.609 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.599 3.879 -2.295 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.360 3.594 -3.133 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.336 4.357 -2.485 1.00 0.00 C ATOM 0 H TRP A 57 2.428 -1.939 -5.904 1.00 0.00 H new ATOM 0 HA TRP A 57 2.753 0.826 -5.624 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.211 -1.025 -3.934 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.735 -1.289 -4.758 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.601 -0.095 -3.451 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.926 2.189 -2.306 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.889 1.746 -4.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.350 4.470 -1.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.367 3.999 -3.263 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.085 5.345 -2.128 1.00 0.00 H new ATOM 943 N LYS A 58 5.256 -0.602 -7.293 1.00 0.00 N ATOM 944 CA LYS A 58 6.305 -0.284 -8.266 1.00 0.00 C ATOM 945 C LYS A 58 5.729 0.510 -9.425 1.00 0.00 C ATOM 946 O LYS A 58 6.203 1.603 -9.737 1.00 0.00 O ATOM 947 CB LYS A 58 7.022 -1.539 -8.791 1.00 0.00 C ATOM 948 CG LYS A 58 6.307 -2.825 -8.494 1.00 0.00 C ATOM 949 CD LYS A 58 6.664 -3.912 -9.496 1.00 0.00 C ATOM 950 CE LYS A 58 6.103 -3.608 -10.877 1.00 0.00 C ATOM 951 NZ LYS A 58 7.101 -3.862 -11.955 1.00 0.00 N ATOM 0 H LYS A 58 5.223 -1.579 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 58 7.048 0.319 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.148 -1.447 -9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.020 -1.582 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.562 -3.159 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.230 -2.655 -8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.748 -4.010 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.277 -4.870 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.218 -4.220 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.784 -2.567 -10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.677 -3.642 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.935 -3.260 -11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.387 -4.862 -11.935 1.00 0.00 H new ATOM 965 N ARG A 59 4.694 -0.031 -10.066 1.00 0.00 N ATOM 966 CA ARG A 59 4.071 0.669 -11.180 1.00 0.00 C ATOM 967 C ARG A 59 3.676 2.090 -10.766 1.00 0.00 C ATOM 968 O ARG A 59 3.619 2.999 -11.593 1.00 0.00 O ATOM 969 CB ARG A 59 2.849 -0.104 -11.680 1.00 0.00 C ATOM 970 CG ARG A 59 3.212 -1.389 -12.409 1.00 0.00 C ATOM 971 CD ARG A 59 2.196 -1.735 -13.487 1.00 0.00 C ATOM 972 NE ARG A 59 2.123 -0.712 -14.527 1.00 0.00 N ATOM 973 CZ ARG A 59 2.970 -0.631 -15.550 1.00 0.00 C ATOM 974 NH1 ARG A 59 3.964 -1.504 -15.670 1.00 0.00 N ATOM 975 NH2 ARG A 59 2.823 0.325 -16.455 1.00 0.00 N ATOM 0 H ARG A 59 4.278 -0.934 -9.837 1.00 0.00 H new ATOM 0 HA ARG A 59 4.793 0.736 -11.994 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.206 -0.343 -10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.271 0.535 -12.348 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.199 -1.284 -12.860 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.274 -2.208 -11.692 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.460 -2.691 -13.939 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.213 -1.858 -13.031 1.00 0.00 H new ATOM 0 HE ARG A 59 1.378 -0.018 -14.465 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.081 -2.242 -14.976 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.610 -1.436 -16.457 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.061 0.998 -16.367 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.471 0.388 -17.240 1.00 0.00 H new ATOM 989 N ARG A 60 3.391 2.264 -9.474 1.00 0.00 N ATOM 990 CA ARG A 60 2.976 3.558 -8.928 1.00 0.00 C ATOM 991 C ARG A 60 4.150 4.399 -8.420 1.00 0.00 C ATOM 992 O ARG A 60 4.066 5.626 -8.376 1.00 0.00 O ATOM 993 CB ARG A 60 1.982 3.332 -7.788 1.00 0.00 C ATOM 994 CG ARG A 60 0.530 3.438 -8.221 1.00 0.00 C ATOM 995 CD ARG A 60 0.150 4.877 -8.532 1.00 0.00 C ATOM 996 NE ARG A 60 0.592 5.795 -7.485 1.00 0.00 N ATOM 997 CZ ARG A 60 -0.059 5.982 -6.338 1.00 0.00 C ATOM 998 NH1 ARG A 60 -1.188 5.327 -6.093 1.00 0.00 N ATOM 999 NH2 ARG A 60 0.419 6.825 -5.432 1.00 0.00 N ATOM 0 H ARG A 60 3.441 1.518 -8.781 1.00 0.00 H new ATOM 0 HA ARG A 60 2.513 4.115 -9.742 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.153 2.346 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.172 4.061 -7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.365 2.817 -9.102 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.116 3.051 -7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.592 5.172 -9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.931 4.950 -8.647 1.00 0.00 H new ATOM 0 HE ARG A 60 1.450 6.324 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.561 4.677 -6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.682 5.474 -5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.286 7.331 -5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.080 6.967 -4.554 1.00 0.00 H new