USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -0.0392 K(o=-10,f=-6) USER MOD Set 1.2: A 51 ASN : amide:sc= -6.36! C(o=-10!,f=-6!) USER MOD Set 1.3: A 53 GLN : amide:sc= -3.91! C(o=-10!,f=-11!) USER MOD Set 2.1: A 28 CYS SG : rot -157:sc= 0.772 USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0.934 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -3:sc= 0.897 USER MOD Single : A 48 MET CE :methyl -160:sc= -1.46 (180deg=-2.22!) USER MOD Single : A 59 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -9.35! C(o=-9.4!,f=-9.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N PRO A 16 2.057 -9.665 -3.867 1.00 0.00 N ATOM 177 CA PRO A 16 1.276 -8.540 -3.343 1.00 0.00 C ATOM 178 C PRO A 16 1.210 -7.374 -4.324 1.00 0.00 C ATOM 179 O PRO A 16 1.976 -7.315 -5.286 1.00 0.00 O ATOM 180 CB PRO A 16 2.041 -8.134 -2.081 1.00 0.00 C ATOM 181 CG PRO A 16 3.439 -8.587 -2.323 1.00 0.00 C ATOM 182 CD PRO A 16 3.332 -9.837 -3.151 1.00 0.00 C ATOM 0 HA PRO A 16 0.238 -8.816 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.996 -7.057 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.620 -8.606 -1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.012 -7.821 -2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.953 -8.785 -1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.170 -9.935 -3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.326 -10.732 -2.529 1.00 0.00 H new ATOM 190 N VAL A 17 0.290 -6.448 -4.074 1.00 0.00 N ATOM 191 CA VAL A 17 0.126 -5.282 -4.934 1.00 0.00 C ATOM 192 C VAL A 17 0.993 -4.122 -4.459 1.00 0.00 C ATOM 193 O VAL A 17 1.022 -3.800 -3.271 1.00 0.00 O ATOM 194 CB VAL A 17 -1.344 -4.824 -4.983 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.525 -3.720 -6.014 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.259 -6.001 -5.284 1.00 0.00 C ATOM 0 H VAL A 17 -0.353 -6.483 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 17 0.440 -5.580 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.615 -4.424 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.570 -3.409 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.898 -2.869 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.237 -4.090 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.294 -5.659 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.991 -6.433 -6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.149 -6.756 -4.505 1.00 0.00 H new ATOM 206 N PHE A 18 1.698 -3.496 -5.395 1.00 0.00 N ATOM 207 CA PHE A 18 2.568 -2.370 -5.073 1.00 0.00 C ATOM 208 C PHE A 18 2.025 -1.075 -5.670 1.00 0.00 C ATOM 209 O PHE A 18 1.758 -0.996 -6.869 1.00 0.00 O ATOM 210 CB PHE A 18 3.985 -2.628 -5.590 1.00 0.00 C ATOM 211 CG PHE A 18 4.664 -3.790 -4.922 1.00 0.00 C ATOM 212 CD1 PHE A 18 5.170 -3.668 -3.638 1.00 0.00 C ATOM 213 CD2 PHE A 18 4.797 -5.003 -5.579 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.796 -4.735 -3.020 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.420 -6.073 -4.966 1.00 0.00 C ATOM 216 CZ PHE A 18 5.922 -5.939 -3.686 1.00 0.00 C ATOM 0 H PHE A 18 1.684 -3.749 -6.383 1.00 0.00 H new ATOM 0 HA PHE A 18 2.598 -2.265 -3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.944 -2.810 -6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.587 -1.731 -5.441 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.074 -2.729 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.409 -5.113 -6.581 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.186 -4.627 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.515 -7.014 -5.487 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.412 -6.774 -3.207 1.00 0.00 H new ATOM 226 N ALA A 19 1.864 -0.063 -4.824 1.00 0.00 N ATOM 227 CA ALA A 19 1.354 1.229 -5.267 1.00 0.00 C ATOM 228 C ALA A 19 2.296 2.358 -4.864 1.00 0.00 C ATOM 229 O ALA A 19 2.761 2.417 -3.726 1.00 0.00 O ATOM 230 CB ALA A 19 -0.036 1.471 -4.699 1.00 0.00 C ATOM 0 H ALA A 19 2.079 -0.113 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 19 1.292 1.213 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.404 2.439 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.711 0.686 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.009 1.461 -3.610 1.00 0.00 H new ATOM 236 N LYS A 20 2.576 3.253 -5.806 1.00 0.00 N ATOM 237 CA LYS A 20 3.463 4.382 -5.550 1.00 0.00 C ATOM 238 C LYS A 20 2.668 5.613 -5.126 1.00 0.00 C ATOM 239 O LYS A 20 1.607 5.899 -5.679 1.00 0.00 O ATOM 240 CB LYS A 20 4.290 4.701 -6.797 1.00 0.00 C ATOM 241 CG LYS A 20 5.046 6.015 -6.706 1.00 0.00 C ATOM 242 CD LYS A 20 6.060 6.153 -7.830 1.00 0.00 C ATOM 243 CE LYS A 20 7.235 7.025 -7.415 1.00 0.00 C ATOM 244 NZ LYS A 20 8.288 7.074 -8.467 1.00 0.00 N ATOM 0 H LYS A 20 2.201 3.218 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 20 4.135 4.107 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.002 3.893 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.629 4.731 -7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.341 6.845 -6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.556 6.077 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.422 5.166 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.577 6.584 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.882 8.035 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.664 6.640 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.071 7.678 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.643 6.113 -8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.886 7.465 -9.343 1.00 0.00 H new ATOM 258 N ALA A 21 3.190 6.339 -4.142 1.00 0.00 N ATOM 259 CA ALA A 21 2.530 7.541 -3.647 1.00 0.00 C ATOM 260 C ALA A 21 2.718 8.707 -4.611 1.00 0.00 C ATOM 261 O ALA A 21 3.843 9.135 -4.870 1.00 0.00 O ATOM 262 CB ALA A 21 3.060 7.903 -2.267 1.00 0.00 C ATOM 0 H ALA A 21 4.067 6.116 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 21 1.462 7.335 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.559 8.802 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.868 7.082 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.133 8.085 -2.326 1.00 0.00 H new ATOM 268 N ILE A 22 1.610 9.215 -5.140 1.00 0.00 N ATOM 269 CA ILE A 22 1.654 10.332 -6.076 1.00 0.00 C ATOM 270 C ILE A 22 1.550 11.666 -5.345 1.00 0.00 C ATOM 271 O ILE A 22 1.986 12.698 -5.853 1.00 0.00 O ATOM 272 CB ILE A 22 0.521 10.239 -7.116 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.816 9.967 -6.423 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.827 9.153 -8.136 1.00 0.00 C ATOM 275 CD1 ILE A 22 -2.005 10.543 -7.158 1.00 0.00 C ATOM 0 H ILE A 22 0.671 8.871 -4.937 1.00 0.00 H new ATOM 0 HA ILE A 22 2.614 10.276 -6.590 1.00 0.00 H new ATOM 0 HB ILE A 22 0.449 11.192 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.950 8.890 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.785 10.383 -5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.018 9.099 -8.864 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.760 9.387 -8.648 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.922 8.193 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.918 10.312 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.894 11.624 -7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.061 10.109 -8.156 1.00 0.00 H new ATOM 287 N GLN A 23 0.970 11.636 -4.149 1.00 0.00 N ATOM 288 CA GLN A 23 0.810 12.843 -3.347 1.00 0.00 C ATOM 289 C GLN A 23 1.544 12.714 -2.016 1.00 0.00 C ATOM 290 O GLN A 23 2.178 11.695 -1.741 1.00 0.00 O ATOM 291 CB GLN A 23 -0.673 13.124 -3.101 1.00 0.00 C ATOM 292 CG GLN A 23 -1.422 13.572 -4.345 1.00 0.00 C ATOM 293 CD GLN A 23 -2.922 13.633 -4.133 1.00 0.00 C ATOM 294 OE1 GLN A 23 -3.394 13.914 -3.031 1.00 0.00 O ATOM 295 NE2 GLN A 23 -3.681 13.371 -5.190 1.00 0.00 N ATOM 0 H GLN A 23 0.603 10.789 -3.715 1.00 0.00 H new ATOM 0 HA GLN A 23 1.243 13.677 -3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.144 12.223 -2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.766 13.893 -2.334 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.061 14.555 -4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.202 12.886 -5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.248 13.143 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.697 13.398 -5.107 1.00 0.00 H new ATOM 304 N LYS A 24 1.453 13.753 -1.193 1.00 0.00 N ATOM 305 CA LYS A 24 2.107 13.757 0.110 1.00 0.00 C ATOM 306 C LYS A 24 1.083 13.623 1.233 1.00 0.00 C ATOM 307 O LYS A 24 0.314 14.547 1.498 1.00 0.00 O ATOM 308 CB LYS A 24 2.916 15.043 0.294 1.00 0.00 C ATOM 309 CG LYS A 24 3.697 15.089 1.596 1.00 0.00 C ATOM 310 CD LYS A 24 4.392 16.427 1.782 1.00 0.00 C ATOM 311 CE LYS A 24 5.310 16.414 2.995 1.00 0.00 C ATOM 312 NZ LYS A 24 5.803 17.779 3.331 1.00 0.00 N ATOM 0 H LYS A 24 0.932 14.604 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 24 2.781 12.902 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.610 15.148 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.239 15.897 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.022 14.909 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.437 14.289 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.970 16.665 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.646 17.213 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.776 16.000 3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.159 15.758 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.425 17.728 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.334 18.165 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.994 18.398 3.541 1.00 0.00 H new ATOM 326 N ARG A 25 1.079 12.468 1.890 1.00 0.00 N ATOM 327 CA ARG A 25 0.150 12.214 2.984 1.00 0.00 C ATOM 328 C ARG A 25 0.687 12.778 4.296 1.00 0.00 C ATOM 329 O ARG A 25 1.855 12.587 4.634 1.00 0.00 O ATOM 330 CB ARG A 25 -0.104 10.712 3.128 1.00 0.00 C ATOM 331 CG ARG A 25 -1.269 10.208 2.293 1.00 0.00 C ATOM 332 CD ARG A 25 -2.604 10.614 2.897 1.00 0.00 C ATOM 333 NE ARG A 25 -3.682 10.583 1.912 1.00 0.00 N ATOM 334 CZ ARG A 25 -4.808 11.279 2.032 1.00 0.00 C ATOM 335 NH1 ARG A 25 -5.001 12.056 3.089 1.00 0.00 N ATOM 336 NH2 ARG A 25 -5.742 11.198 1.094 1.00 0.00 N ATOM 0 H ARG A 25 1.709 11.693 1.683 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.790 12.714 2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.798 10.171 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.294 10.483 4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.191 10.604 1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.219 9.122 2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.847 9.944 3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.523 11.618 3.314 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.564 9.995 1.087 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.285 12.121 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.866 12.589 3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.597 10.601 0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.606 11.732 1.187 1.00 0.00 H new ATOM 350 N VAL A 26 -0.174 13.475 5.031 1.00 0.00 N ATOM 351 CA VAL A 26 0.214 14.067 6.306 1.00 0.00 C ATOM 352 C VAL A 26 -0.774 13.697 7.406 1.00 0.00 C ATOM 353 O VAL A 26 -1.789 14.362 7.614 1.00 0.00 O ATOM 354 CB VAL A 26 0.305 15.601 6.208 1.00 0.00 C ATOM 355 CG1 VAL A 26 0.652 16.203 7.561 1.00 0.00 C ATOM 356 CG2 VAL A 26 1.326 16.007 5.156 1.00 0.00 C ATOM 0 H VAL A 26 -1.144 13.643 4.766 1.00 0.00 H new ATOM 0 HA VAL A 26 1.197 13.667 6.555 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.668 15.987 5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.712 17.288 7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.120 15.940 8.285 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.613 15.813 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.378 17.094 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.305 15.611 5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.028 15.607 4.187 1.00 0.00 H new ATOM 366 N PRO A 27 -0.472 12.609 8.131 1.00 0.00 N ATOM 367 CA PRO A 27 -1.321 12.126 9.224 1.00 0.00 C ATOM 368 C PRO A 27 -1.297 13.057 10.431 1.00 0.00 C ATOM 369 O PRO A 27 -0.290 13.710 10.704 1.00 0.00 O ATOM 370 CB PRO A 27 -0.703 10.771 9.581 1.00 0.00 C ATOM 371 CG PRO A 27 0.720 10.880 9.153 1.00 0.00 C ATOM 372 CD PRO A 27 0.721 11.767 7.939 1.00 0.00 C ATOM 0 HA PRO A 27 -2.369 12.068 8.931 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.781 10.569 10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.210 9.956 9.065 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.335 11.304 9.947 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.133 9.899 8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.630 12.366 7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.660 11.188 7.018 1.00 0.00 H new ATOM 380 N CYS A 28 -2.412 13.112 11.152 1.00 0.00 N ATOM 381 CA CYS A 28 -2.519 13.964 12.331 1.00 0.00 C ATOM 382 C CYS A 28 -1.891 13.292 13.547 1.00 0.00 C ATOM 383 O CYS A 28 -1.692 12.077 13.563 1.00 0.00 O ATOM 384 CB CYS A 28 -3.985 14.294 12.616 1.00 0.00 C ATOM 385 SG CYS A 28 -4.723 15.454 11.442 1.00 0.00 S ATOM 0 H CYS A 28 -3.254 12.577 10.941 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.978 14.889 12.130 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.562 13.370 12.608 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.064 14.711 13.620 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.738 16.047 11.998 1.00 0.00 H new ATOM 391 N ALA A 29 -1.578 14.090 14.562 1.00 0.00 N ATOM 392 CA ALA A 29 -0.972 13.571 15.783 1.00 0.00 C ATOM 393 C ALA A 29 -1.950 12.686 16.548 1.00 0.00 C ATOM 394 O ALA A 29 -1.628 11.552 16.903 1.00 0.00 O ATOM 395 CB ALA A 29 -0.495 14.717 16.663 1.00 0.00 C ATOM 0 H ALA A 29 -1.734 15.098 14.564 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.114 12.961 15.502 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.045 14.316 17.571 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.244 15.308 16.122 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.342 15.350 16.927 1.00 0.00 H new ATOM 401 N TYR A 30 -3.144 13.210 16.798 1.00 0.00 N ATOM 402 CA TYR A 30 -4.168 12.468 17.524 1.00 0.00 C ATOM 403 C TYR A 30 -4.535 11.183 16.787 1.00 0.00 C ATOM 404 O TYR A 30 -4.684 10.125 17.398 1.00 0.00 O ATOM 405 CB TYR A 30 -5.415 13.332 17.717 1.00 0.00 C ATOM 406 CG TYR A 30 -5.842 14.066 16.466 1.00 0.00 C ATOM 407 CD1 TYR A 30 -5.342 15.329 16.172 1.00 0.00 C ATOM 408 CD2 TYR A 30 -6.745 13.496 15.577 1.00 0.00 C ATOM 409 CE1 TYR A 30 -5.731 16.003 15.030 1.00 0.00 C ATOM 410 CE2 TYR A 30 -7.138 14.162 14.432 1.00 0.00 C ATOM 411 CZ TYR A 30 -6.628 15.416 14.164 1.00 0.00 C ATOM 412 OH TYR A 30 -7.017 16.083 13.025 1.00 0.00 O ATOM 0 H TYR A 30 -3.427 14.146 16.509 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.764 12.203 18.501 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.236 12.700 18.055 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.225 14.058 18.507 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.638 15.792 16.847 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.147 12.515 15.785 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.334 16.985 14.817 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.840 13.704 13.751 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.652 15.530 12.523 1.00 0.00 H new ATOM 422 N ASP A 31 -4.680 11.286 15.470 1.00 0.00 N ATOM 423 CA ASP A 31 -5.028 10.133 14.648 1.00 0.00 C ATOM 424 C ASP A 31 -3.776 9.378 14.212 1.00 0.00 C ATOM 425 O ASP A 31 -3.123 9.748 13.235 1.00 0.00 O ATOM 426 CB ASP A 31 -5.824 10.578 13.420 1.00 0.00 C ATOM 427 CG ASP A 31 -7.298 10.762 13.721 1.00 0.00 C ATOM 428 OD1 ASP A 31 -7.814 10.055 14.612 1.00 0.00 O ATOM 429 OD2 ASP A 31 -7.936 11.613 13.066 1.00 0.00 O ATOM 0 H ASP A 31 -4.562 12.155 14.950 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.644 9.463 15.248 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.413 11.515 13.044 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.708 9.839 12.628 1.00 0.00 H new ATOM 434 N LYS A 32 -3.445 8.319 14.943 1.00 0.00 N ATOM 435 CA LYS A 32 -2.271 7.512 14.632 1.00 0.00 C ATOM 436 C LYS A 32 -2.653 6.295 13.795 1.00 0.00 C ATOM 437 O LYS A 32 -2.113 5.205 13.982 1.00 0.00 O ATOM 438 CB LYS A 32 -1.582 7.060 15.922 1.00 0.00 C ATOM 439 CG LYS A 32 -0.650 8.105 16.512 1.00 0.00 C ATOM 440 CD LYS A 32 0.670 8.162 15.762 1.00 0.00 C ATOM 441 CE LYS A 32 1.736 8.891 16.565 1.00 0.00 C ATOM 442 NZ LYS A 32 2.769 9.505 15.686 1.00 0.00 N ATOM 0 H LYS A 32 -3.973 8.000 15.755 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.581 8.127 14.054 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.342 6.805 16.660 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.015 6.151 15.722 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.131 9.083 16.479 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.464 7.877 17.561 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.008 7.150 15.541 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.525 8.665 14.806 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.267 9.666 17.171 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.213 8.193 17.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.477 9.992 16.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.234 8.762 15.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.318 10.190 15.046 1.00 0.00 H new ATOM 456 N THR A 33 -3.588 6.489 12.869 1.00 0.00 N ATOM 457 CA THR A 33 -4.042 5.409 12.003 1.00 0.00 C ATOM 458 C THR A 33 -3.705 5.695 10.544 1.00 0.00 C ATOM 459 O THR A 33 -3.383 4.785 9.782 1.00 0.00 O ATOM 460 CB THR A 33 -5.560 5.185 12.134 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.250 6.435 12.032 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.897 4.520 13.460 1.00 0.00 C ATOM 0 H THR A 33 -4.045 7.385 12.700 1.00 0.00 H new ATOM 0 HA THR A 33 -3.520 4.507 12.323 1.00 0.00 H new ATOM 0 HB THR A 33 -5.879 4.528 11.325 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.215 6.284 12.115 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.975 4.372 13.529 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.394 3.555 13.521 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.564 5.156 14.281 1.00 0.00 H new ATOM 470 N ALA A 34 -3.781 6.966 10.163 1.00 0.00 N ATOM 471 CA ALA A 34 -3.482 7.372 8.795 1.00 0.00 C ATOM 472 C ALA A 34 -2.007 7.163 8.471 1.00 0.00 C ATOM 473 O ALA A 34 -1.132 7.762 9.097 1.00 0.00 O ATOM 474 CB ALA A 34 -3.870 8.828 8.580 1.00 0.00 C ATOM 0 H ALA A 34 -4.047 7.732 10.782 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.068 6.748 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.641 9.118 7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.938 8.951 8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.309 9.460 9.269 1.00 0.00 H new ATOM 480 N LEU A 35 -1.738 6.308 7.490 1.00 0.00 N ATOM 481 CA LEU A 35 -0.367 6.019 7.082 1.00 0.00 C ATOM 482 C LEU A 35 0.259 7.222 6.386 1.00 0.00 C ATOM 483 O LEU A 35 -0.351 7.831 5.508 1.00 0.00 O ATOM 484 CB LEU A 35 -0.336 4.804 6.153 1.00 0.00 C ATOM 485 CG LEU A 35 0.934 3.955 6.200 1.00 0.00 C ATOM 486 CD1 LEU A 35 0.853 2.816 5.196 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.161 4.815 5.935 1.00 0.00 C ATOM 0 H LEU A 35 -2.450 5.803 6.963 1.00 0.00 H new ATOM 0 HA LEU A 35 0.214 5.799 7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.185 4.165 6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.480 5.151 5.130 1.00 0.00 H new ATOM 0 HG LEU A 35 1.024 3.526 7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.766 2.223 5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.003 2.184 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.738 3.224 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.056 4.194 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.078 5.273 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.229 5.595 6.693 1.00 0.00 H new ATOM 499 N ALA A 36 1.483 7.558 6.782 1.00 0.00 N ATOM 500 CA ALA A 36 2.194 8.686 6.192 1.00 0.00 C ATOM 501 C ALA A 36 3.134 8.223 5.084 1.00 0.00 C ATOM 502 O ALA A 36 3.858 7.240 5.240 1.00 0.00 O ATOM 503 CB ALA A 36 2.969 9.439 7.263 1.00 0.00 C ATOM 0 H ALA A 36 2.002 7.065 7.509 1.00 0.00 H new ATOM 0 HA ALA A 36 1.458 9.358 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.495 10.279 6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.277 9.810 8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.690 8.768 7.729 1.00 0.00 H new ATOM 509 N LEU A 37 3.116 8.937 3.964 1.00 0.00 N ATOM 510 CA LEU A 37 3.967 8.600 2.828 1.00 0.00 C ATOM 511 C LEU A 37 4.457 9.860 2.121 1.00 0.00 C ATOM 512 O LEU A 37 3.716 10.833 1.983 1.00 0.00 O ATOM 513 CB LEU A 37 3.206 7.711 1.842 1.00 0.00 C ATOM 514 CG LEU A 37 2.648 6.405 2.409 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.523 5.880 1.530 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.753 5.367 2.542 1.00 0.00 C ATOM 0 H LEU A 37 2.522 9.753 3.818 1.00 0.00 H new ATOM 0 HA LEU A 37 4.834 8.057 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.378 8.287 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.872 7.469 1.013 1.00 0.00 H new ATOM 0 HG LEU A 37 2.243 6.604 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.138 4.950 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.722 6.617 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.902 5.696 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.338 4.444 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.187 5.170 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.526 5.742 3.213 1.00 0.00 H new ATOM 528 N GLU A 38 5.708 9.832 1.674 1.00 0.00 N ATOM 529 CA GLU A 38 6.296 10.972 0.980 1.00 0.00 C ATOM 530 C GLU A 38 6.235 10.779 -0.533 1.00 0.00 C ATOM 531 O GLU A 38 6.513 9.693 -1.042 1.00 0.00 O ATOM 532 CB GLU A 38 7.747 11.174 1.422 1.00 0.00 C ATOM 533 CG GLU A 38 8.537 12.099 0.511 1.00 0.00 C ATOM 534 CD GLU A 38 8.207 13.562 0.736 1.00 0.00 C ATOM 535 OE1 GLU A 38 7.166 14.021 0.222 1.00 0.00 O ATOM 536 OE2 GLU A 38 8.990 14.247 1.427 1.00 0.00 O ATOM 0 H GLU A 38 6.334 9.033 1.780 1.00 0.00 H new ATOM 0 HA GLU A 38 5.718 11.859 1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.757 11.579 2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.244 10.205 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.603 11.941 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.333 11.840 -0.528 1.00 0.00 H new ATOM 543 N VAL A 39 5.869 11.840 -1.245 1.00 0.00 N ATOM 544 CA VAL A 39 5.772 11.788 -2.699 1.00 0.00 C ATOM 545 C VAL A 39 6.871 10.913 -3.292 1.00 0.00 C ATOM 546 O VAL A 39 8.040 11.295 -3.311 1.00 0.00 O ATOM 547 CB VAL A 39 5.861 13.195 -3.318 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.747 13.121 -4.833 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.786 14.101 -2.737 1.00 0.00 C ATOM 0 H VAL A 39 5.635 12.746 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 39 4.800 11.356 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 39 6.834 13.620 -3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.812 14.125 -5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.557 12.509 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.790 12.676 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.863 15.091 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.803 13.682 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.921 14.180 -1.658 1.00 0.00 H new ATOM 559 N GLY A 40 6.486 9.736 -3.777 1.00 0.00 N ATOM 560 CA GLY A 40 7.451 8.825 -4.365 1.00 0.00 C ATOM 561 C GLY A 40 7.863 7.722 -3.411 1.00 0.00 C ATOM 562 O GLY A 40 9.031 7.336 -3.366 1.00 0.00 O ATOM 0 H GLY A 40 5.524 9.397 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.026 8.382 -5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.335 9.385 -4.672 1.00 0.00 H new ATOM 566 N ASP A 41 6.904 7.216 -2.645 1.00 0.00 N ATOM 567 CA ASP A 41 7.174 6.151 -1.685 1.00 0.00 C ATOM 568 C ASP A 41 6.348 4.909 -2.006 1.00 0.00 C ATOM 569 O ASP A 41 5.124 4.978 -2.122 1.00 0.00 O ATOM 570 CB ASP A 41 6.870 6.627 -0.264 1.00 0.00 C ATOM 571 CG ASP A 41 8.076 7.259 0.404 1.00 0.00 C ATOM 572 OD1 ASP A 41 9.212 6.966 -0.022 1.00 0.00 O ATOM 573 OD2 ASP A 41 7.883 8.047 1.354 1.00 0.00 O ATOM 0 H ASP A 41 5.932 7.525 -2.669 1.00 0.00 H new ATOM 0 HA ASP A 41 8.230 5.892 -1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.054 7.349 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.528 5.782 0.334 1.00 0.00 H new ATOM 578 N ILE A 42 7.026 3.775 -2.148 1.00 0.00 N ATOM 579 CA ILE A 42 6.355 2.518 -2.455 1.00 0.00 C ATOM 580 C ILE A 42 5.592 1.992 -1.244 1.00 0.00 C ATOM 581 O ILE A 42 6.115 1.968 -0.129 1.00 0.00 O ATOM 582 CB ILE A 42 7.356 1.445 -2.922 1.00 0.00 C ATOM 583 CG1 ILE A 42 8.220 1.985 -4.063 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.619 0.187 -3.359 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.424 2.399 -5.281 1.00 0.00 C ATOM 0 H ILE A 42 8.039 3.701 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 42 5.653 2.724 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 42 8.008 1.189 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.789 2.842 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.942 1.222 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.340 -0.562 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.042 -0.206 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.946 0.427 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.102 2.772 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.876 1.540 -5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.720 3.185 -5.006 1.00 0.00 H new ATOM 597 N VAL A 43 4.352 1.569 -1.470 1.00 0.00 N ATOM 598 CA VAL A 43 3.517 1.040 -0.398 1.00 0.00 C ATOM 599 C VAL A 43 3.076 -0.388 -0.699 1.00 0.00 C ATOM 600 O VAL A 43 2.201 -0.617 -1.534 1.00 0.00 O ATOM 601 CB VAL A 43 2.269 1.915 -0.175 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.452 1.391 0.997 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.669 3.365 0.050 1.00 0.00 C ATOM 0 H VAL A 43 3.904 1.582 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 43 4.123 1.047 0.508 1.00 0.00 H new ATOM 0 HB VAL A 43 1.648 1.868 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.574 2.022 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.135 0.369 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.061 1.407 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.775 3.969 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.311 3.433 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.208 3.733 -0.823 1.00 0.00 H new ATOM 613 N LYS A 44 3.688 -1.348 -0.013 1.00 0.00 N ATOM 614 CA LYS A 44 3.358 -2.755 -0.204 1.00 0.00 C ATOM 615 C LYS A 44 2.098 -3.129 0.570 1.00 0.00 C ATOM 616 O LYS A 44 2.107 -3.187 1.800 1.00 0.00 O ATOM 617 CB LYS A 44 4.525 -3.639 0.243 1.00 0.00 C ATOM 618 CG LYS A 44 4.237 -5.126 0.136 1.00 0.00 C ATOM 619 CD LYS A 44 5.013 -5.920 1.174 1.00 0.00 C ATOM 620 CE LYS A 44 5.063 -7.399 0.820 1.00 0.00 C ATOM 621 NZ LYS A 44 6.248 -7.728 -0.020 1.00 0.00 N ATOM 0 H LYS A 44 4.416 -1.176 0.681 1.00 0.00 H new ATOM 0 HA LYS A 44 3.172 -2.918 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.401 -3.403 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.776 -3.400 1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.169 -5.301 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.498 -5.477 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.027 -5.528 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.549 -5.794 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.091 -7.991 1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.153 -7.676 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.246 -8.744 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.209 -7.182 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.118 -7.487 0.497 1.00 0.00 H new ATOM 635 N VAL A 45 1.015 -3.382 -0.158 1.00 0.00 N ATOM 636 CA VAL A 45 -0.252 -3.753 0.460 1.00 0.00 C ATOM 637 C VAL A 45 -0.573 -5.223 0.217 1.00 0.00 C ATOM 638 O VAL A 45 -0.605 -5.683 -0.925 1.00 0.00 O ATOM 639 CB VAL A 45 -1.411 -2.891 -0.075 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.260 -2.661 -1.571 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.749 -3.542 0.241 1.00 0.00 C ATOM 0 H VAL A 45 0.990 -3.337 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.144 -3.580 1.531 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.379 -1.921 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.088 -2.050 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.319 -2.148 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.265 -3.620 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.557 -2.919 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.794 -4.526 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.856 -3.648 1.321 1.00 0.00 H new ATOM 651 N THR A 46 -0.810 -5.959 1.299 1.00 0.00 N ATOM 652 CA THR A 46 -1.128 -7.378 1.204 1.00 0.00 C ATOM 653 C THR A 46 -2.391 -7.712 1.989 1.00 0.00 C ATOM 654 O THR A 46 -2.844 -8.857 1.997 1.00 0.00 O ATOM 655 CB THR A 46 0.031 -8.249 1.722 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.370 -9.623 1.765 1.00 0.00 O ATOM 657 CG2 THR A 46 0.469 -7.800 3.108 1.00 0.00 C ATOM 0 H THR A 46 -0.788 -5.595 2.252 1.00 0.00 H new ATOM 0 HA THR A 46 -1.292 -7.595 0.149 1.00 0.00 H new ATOM 0 HB THR A 46 0.873 -8.138 1.039 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.313 -9.697 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.289 -8.430 3.453 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.802 -6.763 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.369 -7.885 3.800 1.00 0.00 H new ATOM 665 N ARG A 47 -2.955 -6.706 2.650 1.00 0.00 N ATOM 666 CA ARG A 47 -4.166 -6.895 3.440 1.00 0.00 C ATOM 667 C ARG A 47 -5.200 -5.821 3.114 1.00 0.00 C ATOM 668 O ARG A 47 -5.437 -4.912 3.909 1.00 0.00 O ATOM 669 CB ARG A 47 -3.836 -6.864 4.933 1.00 0.00 C ATOM 670 CG ARG A 47 -3.492 -8.228 5.509 1.00 0.00 C ATOM 671 CD ARG A 47 -3.721 -8.272 7.012 1.00 0.00 C ATOM 672 NE ARG A 47 -5.101 -7.948 7.365 1.00 0.00 N ATOM 673 CZ ARG A 47 -5.479 -7.573 8.581 1.00 0.00 C ATOM 674 NH1 ARG A 47 -4.586 -7.473 9.556 1.00 0.00 N ATOM 675 NH2 ARG A 47 -6.754 -7.295 8.825 1.00 0.00 N ATOM 0 H ARG A 47 -2.593 -5.752 2.654 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.586 -7.869 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.997 -6.188 5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.687 -6.454 5.476 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.100 -8.992 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.450 -8.464 5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.474 -9.265 7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.047 -7.570 7.502 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.813 -8.013 6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.605 -7.684 9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.880 -7.185 10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.444 -7.369 8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.043 -7.007 9.760 1.00 0.00 H new ATOM 689 N MET A 48 -5.812 -5.933 1.939 1.00 0.00 N ATOM 690 CA MET A 48 -6.821 -4.972 1.509 1.00 0.00 C ATOM 691 C MET A 48 -8.157 -5.244 2.192 1.00 0.00 C ATOM 692 O MET A 48 -8.660 -6.366 2.166 1.00 0.00 O ATOM 693 CB MET A 48 -6.991 -5.025 -0.011 1.00 0.00 C ATOM 694 CG MET A 48 -5.749 -4.599 -0.777 1.00 0.00 C ATOM 695 SD MET A 48 -6.125 -4.027 -2.445 1.00 0.00 S ATOM 696 CE MET A 48 -4.543 -3.344 -2.933 1.00 0.00 C ATOM 0 H MET A 48 -5.627 -6.679 1.269 1.00 0.00 H new ATOM 0 HA MET A 48 -6.484 -3.976 1.795 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.257 -6.041 -0.303 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.823 -4.382 -0.298 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.244 -3.803 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.055 -5.438 -0.832 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.686 -2.651 -3.762 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.100 -2.814 -2.090 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.879 -4.150 -3.244 1.00 0.00 H new ATOM 706 N ASN A 49 -8.726 -4.209 2.803 1.00 0.00 N ATOM 707 CA ASN A 49 -10.004 -4.338 3.494 1.00 0.00 C ATOM 708 C ASN A 49 -11.163 -4.000 2.561 1.00 0.00 C ATOM 709 O ASN A 49 -10.978 -3.339 1.539 1.00 0.00 O ATOM 710 CB ASN A 49 -10.038 -3.424 4.720 1.00 0.00 C ATOM 711 CG ASN A 49 -8.759 -3.496 5.531 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.217 -4.577 5.762 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.270 -2.341 5.968 1.00 0.00 N ATOM 0 H ASN A 49 -8.322 -3.273 2.833 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.112 -5.373 3.818 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.204 -2.396 4.399 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.882 -3.700 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.412 -2.326 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.753 -1.469 5.753 1.00 0.00 H new ATOM 720 N ILE A 50 -12.357 -4.458 2.921 1.00 0.00 N ATOM 721 CA ILE A 50 -13.546 -4.203 2.117 1.00 0.00 C ATOM 722 C ILE A 50 -14.007 -2.757 2.262 1.00 0.00 C ATOM 723 O ILE A 50 -14.313 -2.091 1.274 1.00 0.00 O ATOM 724 CB ILE A 50 -14.703 -5.141 2.510 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.219 -6.592 2.555 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.860 -4.992 1.534 1.00 0.00 C ATOM 727 CD1 ILE A 50 -13.323 -6.966 1.396 1.00 0.00 C ATOM 0 H ILE A 50 -12.527 -5.007 3.764 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.272 -4.392 1.079 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.054 -4.864 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.681 -6.758 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.084 -7.255 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.670 -5.661 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.217 -3.962 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.523 -5.246 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.018 -8.008 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.865 -6.832 0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.439 -6.328 1.398 1.00 0.00 H new ATOM 739 N ASN A 51 -14.054 -2.277 3.500 1.00 0.00 N ATOM 740 CA ASN A 51 -14.476 -0.909 3.775 1.00 0.00 C ATOM 741 C ASN A 51 -13.997 0.039 2.679 1.00 0.00 C ATOM 742 O ASN A 51 -14.796 0.721 2.040 1.00 0.00 O ATOM 743 CB ASN A 51 -13.940 -0.450 5.132 1.00 0.00 C ATOM 744 CG ASN A 51 -12.618 -1.105 5.483 1.00 0.00 C ATOM 745 OD1 ASN A 51 -12.585 -2.207 6.031 1.00 0.00 O ATOM 746 ND2 ASN A 51 -11.520 -0.427 5.169 1.00 0.00 N ATOM 0 H ASN A 51 -13.805 -2.816 4.329 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.566 -0.889 3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -13.815 0.633 5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.673 -0.680 5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.602 -0.817 5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.595 0.483 4.715 1.00 0.00 H new ATOM 753 N GLY A 52 -12.684 0.075 2.468 1.00 0.00 N ATOM 754 CA GLY A 52 -12.121 0.941 1.449 1.00 0.00 C ATOM 755 C GLY A 52 -10.619 1.095 1.586 1.00 0.00 C ATOM 756 O GLY A 52 -9.883 0.945 0.611 1.00 0.00 O ATOM 0 H GLY A 52 -12.001 -0.480 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.354 0.537 0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.591 1.923 1.510 1.00 0.00 H new ATOM 760 N GLN A 53 -10.164 1.398 2.797 1.00 0.00 N ATOM 761 CA GLN A 53 -8.741 1.575 3.056 1.00 0.00 C ATOM 762 C GLN A 53 -8.036 0.228 3.171 1.00 0.00 C ATOM 763 O GLN A 53 -8.569 -0.714 3.758 1.00 0.00 O ATOM 764 CB GLN A 53 -8.530 2.384 4.337 1.00 0.00 C ATOM 765 CG GLN A 53 -9.131 1.734 5.573 1.00 0.00 C ATOM 766 CD GLN A 53 -10.578 2.130 5.796 1.00 0.00 C ATOM 767 OE1 GLN A 53 -11.190 2.789 4.955 1.00 0.00 O ATOM 768 NE2 GLN A 53 -11.133 1.729 6.934 1.00 0.00 N ATOM 0 H GLN A 53 -10.761 1.526 3.614 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.311 2.119 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.461 2.526 4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.968 3.374 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.066 0.650 5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.543 2.013 6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.589 1.184 7.603 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.104 1.966 7.139 1.00 0.00 H new ATOM 777 N TRP A 54 -6.837 0.143 2.605 1.00 0.00 N ATOM 778 CA TRP A 54 -6.060 -1.091 2.644 1.00 0.00 C ATOM 779 C TRP A 54 -4.955 -1.006 3.691 1.00 0.00 C ATOM 780 O TRP A 54 -4.658 0.072 4.206 1.00 0.00 O ATOM 781 CB TRP A 54 -5.456 -1.380 1.269 1.00 0.00 C ATOM 782 CG TRP A 54 -6.407 -1.133 0.138 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.755 -1.353 0.138 1.00 0.00 C ATOM 784 CD2 TRP A 54 -6.082 -0.620 -1.159 1.00 0.00 C ATOM 785 NE1 TRP A 54 -8.288 -1.008 -1.081 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.283 -0.554 -1.894 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.895 -0.207 -1.770 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.327 -0.095 -3.207 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.941 0.248 -3.074 1.00 0.00 C ATOM 790 CH2 TRP A 54 -6.149 0.303 -3.781 1.00 0.00 C ATOM 0 H TRP A 54 -6.382 0.913 2.114 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.731 -1.905 2.917 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.571 -0.759 1.132 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.126 -2.418 1.236 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.319 -1.741 0.973 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.272 -1.079 -1.339 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.959 -0.243 -1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.257 -0.054 -3.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.029 0.567 -3.557 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.151 0.666 -4.798 1.00 0.00 H new ATOM 801 N GLU A 55 -4.350 -2.148 4.001 1.00 0.00 N ATOM 802 CA GLU A 55 -3.277 -2.200 4.988 1.00 0.00 C ATOM 803 C GLU A 55 -1.931 -2.452 4.315 1.00 0.00 C ATOM 804 O GLU A 55 -1.716 -3.498 3.705 1.00 0.00 O ATOM 805 CB GLU A 55 -3.557 -3.294 6.020 1.00 0.00 C ATOM 806 CG GLU A 55 -2.835 -3.085 7.340 1.00 0.00 C ATOM 807 CD GLU A 55 -3.063 -4.222 8.317 1.00 0.00 C ATOM 808 OE1 GLU A 55 -4.206 -4.373 8.797 1.00 0.00 O ATOM 809 OE2 GLU A 55 -2.097 -4.961 8.601 1.00 0.00 O ATOM 0 H GLU A 55 -4.584 -3.049 3.584 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.235 -1.235 5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.630 -3.340 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.264 -4.258 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.766 -2.981 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.172 -2.151 7.790 1.00 0.00 H new ATOM 816 N GLY A 56 -1.027 -1.484 4.432 1.00 0.00 N ATOM 817 CA GLY A 56 0.287 -1.619 3.831 1.00 0.00 C ATOM 818 C GLY A 56 1.403 -1.253 4.789 1.00 0.00 C ATOM 819 O GLY A 56 1.205 -0.462 5.710 1.00 0.00 O ATOM 0 H GLY A 56 -1.181 -0.609 4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.425 -2.646 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.347 -0.982 2.948 1.00 0.00 H new ATOM 823 N GLU A 57 2.580 -1.833 4.572 1.00 0.00 N ATOM 824 CA GLU A 57 3.731 -1.565 5.426 1.00 0.00 C ATOM 825 C GLU A 57 4.758 -0.700 4.699 1.00 0.00 C ATOM 826 O GLU A 57 5.246 -1.064 3.629 1.00 0.00 O ATOM 827 CB GLU A 57 4.379 -2.877 5.874 1.00 0.00 C ATOM 828 CG GLU A 57 5.497 -2.690 6.885 1.00 0.00 C ATOM 829 CD GLU A 57 6.437 -3.878 6.941 1.00 0.00 C ATOM 830 OE1 GLU A 57 5.950 -5.025 6.865 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.661 -3.659 7.062 1.00 0.00 O ATOM 0 H GLU A 57 2.761 -2.490 3.813 1.00 0.00 H new ATOM 0 HA GLU A 57 3.381 -1.023 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.614 -3.521 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.774 -3.394 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.064 -1.794 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.065 -2.526 7.872 1.00 0.00 H new ATOM 838 N VAL A 58 5.081 0.446 5.289 1.00 0.00 N ATOM 839 CA VAL A 58 6.050 1.363 4.700 1.00 0.00 C ATOM 840 C VAL A 58 6.886 2.046 5.776 1.00 0.00 C ATOM 841 O VAL A 58 6.391 2.350 6.861 1.00 0.00 O ATOM 842 CB VAL A 58 5.355 2.439 3.845 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.381 3.392 3.249 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.519 1.793 2.751 1.00 0.00 C ATOM 0 H VAL A 58 4.686 0.762 6.175 1.00 0.00 H new ATOM 0 HA VAL A 58 6.703 0.767 4.062 1.00 0.00 H new ATOM 0 HB VAL A 58 4.689 3.014 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.872 4.145 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.933 3.881 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.074 2.833 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.035 2.568 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.162 1.192 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.759 1.155 3.202 1.00 0.00 H new ATOM 854 N ASN A 59 8.157 2.284 5.468 1.00 0.00 N ATOM 855 CA ASN A 59 9.063 2.932 6.410 1.00 0.00 C ATOM 856 C ASN A 59 8.933 2.316 7.800 1.00 0.00 C ATOM 857 O ASN A 59 8.758 3.025 8.790 1.00 0.00 O ATOM 858 CB ASN A 59 8.775 4.433 6.476 1.00 0.00 C ATOM 859 CG ASN A 59 9.118 5.144 5.181 1.00 0.00 C ATOM 860 OD1 ASN A 59 9.926 4.660 4.389 1.00 0.00 O ATOM 861 ND2 ASN A 59 8.503 6.301 4.961 1.00 0.00 N ATOM 0 H ASN A 59 8.583 2.038 4.574 1.00 0.00 H new ATOM 0 HA ASN A 59 10.083 2.780 6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.721 4.588 6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.347 4.875 7.292 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.694 6.826 4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.840 6.664 5.646 1.00 0.00 H new ATOM 868 N GLY A 60 9.021 0.991 7.866 1.00 0.00 N ATOM 869 CA GLY A 60 8.912 0.302 9.138 1.00 0.00 C ATOM 870 C GLY A 60 7.679 0.714 9.917 1.00 0.00 C ATOM 871 O GLY A 60 7.706 0.785 11.145 1.00 0.00 O ATOM 0 H GLY A 60 9.166 0.382 7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.885 -0.774 8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.800 0.506 9.736 1.00 0.00 H new ATOM 875 N ARG A 61 6.593 0.988 9.200 1.00 0.00 N ATOM 876 CA ARG A 61 5.344 1.397 9.832 1.00 0.00 C ATOM 877 C ARG A 61 4.143 0.844 9.070 1.00 0.00 C ATOM 878 O ARG A 61 4.238 0.530 7.884 1.00 0.00 O ATOM 879 CB ARG A 61 5.260 2.923 9.901 1.00 0.00 C ATOM 880 CG ARG A 61 4.342 3.433 11.000 1.00 0.00 C ATOM 881 CD ARG A 61 4.441 4.943 11.152 1.00 0.00 C ATOM 882 NE ARG A 61 3.327 5.490 11.922 1.00 0.00 N ATOM 883 CZ ARG A 61 3.193 5.332 13.234 1.00 0.00 C ATOM 884 NH1 ARG A 61 4.099 4.648 13.919 1.00 0.00 N ATOM 885 NH2 ARG A 61 2.151 5.860 13.864 1.00 0.00 N ATOM 0 H ARG A 61 6.553 0.934 8.182 1.00 0.00 H new ATOM 0 HA ARG A 61 5.327 0.993 10.844 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.260 3.327 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.910 3.303 8.941 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.312 3.156 10.774 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.601 2.953 11.944 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.380 5.197 11.643 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.462 5.406 10.165 1.00 0.00 H new ATOM 0 HE ARG A 61 2.613 6.022 11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.902 4.241 13.439 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.993 4.528 14.926 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.452 6.388 13.341 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.049 5.738 14.872 1.00 0.00 H new ATOM 899 N LYS A 62 3.014 0.728 9.761 1.00 0.00 N ATOM 900 CA LYS A 62 1.793 0.214 9.151 1.00 0.00 C ATOM 901 C LYS A 62 0.602 1.106 9.484 1.00 0.00 C ATOM 902 O LYS A 62 0.312 1.362 10.652 1.00 0.00 O ATOM 903 CB LYS A 62 1.523 -1.215 9.628 1.00 0.00 C ATOM 904 CG LYS A 62 2.418 -2.253 8.975 1.00 0.00 C ATOM 905 CD LYS A 62 1.739 -3.611 8.907 1.00 0.00 C ATOM 906 CE LYS A 62 2.752 -4.744 8.966 1.00 0.00 C ATOM 907 NZ LYS A 62 2.122 -6.065 8.689 1.00 0.00 N ATOM 0 H LYS A 62 2.919 0.983 10.744 1.00 0.00 H new ATOM 0 HA LYS A 62 1.930 0.210 8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.657 -1.260 10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.482 -1.466 9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.682 -1.926 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.348 -2.338 9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.034 -3.708 9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.162 -3.685 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.545 -4.560 8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.219 -4.763 9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.845 -6.811 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.382 -6.252 9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.699 -6.055 7.739 1.00 0.00 H new ATOM 921 N GLY A 63 -0.087 1.577 8.449 1.00 0.00 N ATOM 922 CA GLY A 63 -1.240 2.434 8.653 1.00 0.00 C ATOM 923 C GLY A 63 -2.229 2.358 7.507 1.00 0.00 C ATOM 924 O GLY A 63 -1.921 1.814 6.445 1.00 0.00 O ATOM 0 H GLY A 63 0.133 1.380 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.740 2.151 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.906 3.465 8.773 1.00 0.00 H new ATOM 928 N LEU A 64 -3.422 2.903 7.719 1.00 0.00 N ATOM 929 CA LEU A 64 -4.461 2.893 6.696 1.00 0.00 C ATOM 930 C LEU A 64 -4.305 4.080 5.750 1.00 0.00 C ATOM 931 O LEU A 64 -4.238 5.230 6.185 1.00 0.00 O ATOM 932 CB LEU A 64 -5.846 2.924 7.346 1.00 0.00 C ATOM 933 CG LEU A 64 -6.133 1.821 8.365 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.451 2.082 9.077 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.152 0.459 7.686 1.00 0.00 C ATOM 0 H LEU A 64 -3.694 3.358 8.591 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.358 1.974 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.973 3.888 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.597 2.867 6.558 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.336 1.823 9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.639 1.287 9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.401 3.039 9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.260 2.108 8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.358 -0.314 8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.928 0.445 6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.183 0.270 7.223 1.00 0.00 H new ATOM 947 N PHE A 65 -4.250 3.793 4.453 1.00 0.00 N ATOM 948 CA PHE A 65 -4.103 4.836 3.445 1.00 0.00 C ATOM 949 C PHE A 65 -5.159 4.691 2.354 1.00 0.00 C ATOM 950 O PHE A 65 -5.538 3.586 1.965 1.00 0.00 O ATOM 951 CB PHE A 65 -2.704 4.784 2.827 1.00 0.00 C ATOM 952 CG PHE A 65 -2.404 3.488 2.131 1.00 0.00 C ATOM 953 CD1 PHE A 65 -2.701 3.323 0.787 1.00 0.00 C ATOM 954 CD2 PHE A 65 -1.825 2.434 2.819 1.00 0.00 C ATOM 955 CE1 PHE A 65 -2.427 2.131 0.144 1.00 0.00 C ATOM 956 CE2 PHE A 65 -1.548 1.240 2.181 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.848 1.088 0.842 1.00 0.00 C ATOM 0 H PHE A 65 -4.305 2.847 4.076 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.241 5.801 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.600 5.602 2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.963 4.947 3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.152 4.135 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.587 2.547 3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.665 2.014 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.097 0.426 2.729 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.631 0.156 0.341 1.00 0.00 H new ATOM 967 N PRO A 66 -5.647 5.833 1.847 1.00 0.00 N ATOM 968 CA PRO A 66 -6.666 5.860 0.794 1.00 0.00 C ATOM 969 C PRO A 66 -6.125 5.380 -0.549 1.00 0.00 C ATOM 970 O PRO A 66 -4.982 5.665 -0.906 1.00 0.00 O ATOM 971 CB PRO A 66 -7.056 7.338 0.716 1.00 0.00 C ATOM 972 CG PRO A 66 -5.862 8.072 1.219 1.00 0.00 C ATOM 973 CD PRO A 66 -5.240 7.186 2.262 1.00 0.00 C ATOM 0 HA PRO A 66 -7.501 5.196 1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.299 7.630 -0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.935 7.548 1.325 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.160 8.275 0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.146 9.035 1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.155 7.291 2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.603 7.426 3.261 1.00 0.00 H new ATOM 981 N PHE A 67 -6.953 4.651 -1.289 1.00 0.00 N ATOM 982 CA PHE A 67 -6.558 4.132 -2.593 1.00 0.00 C ATOM 983 C PHE A 67 -6.400 5.263 -3.605 1.00 0.00 C ATOM 984 O PHE A 67 -5.810 5.082 -4.670 1.00 0.00 O ATOM 985 CB PHE A 67 -7.590 3.122 -3.098 1.00 0.00 C ATOM 986 CG PHE A 67 -9.011 3.546 -2.859 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.642 3.254 -1.661 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.715 4.236 -3.833 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.950 3.644 -1.437 1.00 0.00 C ATOM 990 CE2 PHE A 67 -11.022 4.629 -3.615 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.640 4.331 -2.416 1.00 0.00 C ATOM 0 H PHE A 67 -7.902 4.406 -1.008 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.596 3.633 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.441 2.966 -4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.418 2.163 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.107 2.716 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.237 4.469 -4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.431 3.412 -0.498 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.559 5.168 -4.381 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.662 4.635 -2.245 1.00 0.00 H new ATOM 1001 N THR A 68 -6.932 6.433 -3.263 1.00 0.00 N ATOM 1002 CA THR A 68 -6.852 7.594 -4.140 1.00 0.00 C ATOM 1003 C THR A 68 -5.504 8.293 -4.007 1.00 0.00 C ATOM 1004 O THR A 68 -5.118 9.088 -4.864 1.00 0.00 O ATOM 1005 CB THR A 68 -7.974 8.605 -3.837 1.00 0.00 C ATOM 1006 OG1 THR A 68 -7.950 8.962 -2.451 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.335 8.026 -4.193 1.00 0.00 C ATOM 0 H THR A 68 -7.423 6.601 -2.385 1.00 0.00 H new ATOM 0 HA THR A 68 -6.968 7.228 -5.160 1.00 0.00 H new ATOM 0 HB THR A 68 -7.805 9.494 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.665 9.606 -2.267 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.111 8.758 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.360 7.782 -5.255 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.510 7.122 -3.609 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.791 7.991 -2.926 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.484 8.590 -2.682 1.00 0.00 C ATOM 1017 C HIS A 69 -2.412 7.924 -3.539 1.00 0.00 C ATOM 1018 O HIS A 69 -1.642 8.599 -4.224 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.115 8.473 -1.202 1.00 0.00 C ATOM 1020 CG HIS A 69 -1.638 8.438 -0.954 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -0.795 9.478 -1.283 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -0.855 7.480 -0.404 1.00 0.00 C ATOM 1023 CE1 HIS A 69 0.443 9.161 -0.948 1.00 0.00 C ATOM 1024 NE2 HIS A 69 0.434 7.954 -0.412 1.00 0.00 N ATOM 0 H HIS A 69 -5.096 7.336 -2.206 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.538 9.644 -2.954 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.546 9.315 -0.661 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.565 7.568 -0.794 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -1.082 10.355 -1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.183 6.522 -0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.314 9.783 -1.089 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.366 6.596 -3.497 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.389 5.840 -4.270 1.00 0.00 C ATOM 1035 C VAL A 70 -1.993 5.334 -5.576 1.00 0.00 C ATOM 1036 O VAL A 70 -3.041 4.688 -5.579 1.00 0.00 O ATOM 1037 CB VAL A 70 -0.847 4.640 -3.470 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.160 5.113 -2.198 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -1.969 3.664 -3.149 1.00 0.00 C ATOM 0 H VAL A 70 -2.995 6.022 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.567 6.521 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.109 4.121 -4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.216 4.252 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.671 5.770 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.874 5.657 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.569 2.822 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.732 4.169 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.411 3.300 -4.076 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.326 5.633 -6.685 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.795 5.208 -7.999 1.00 0.00 C ATOM 1051 C LYS A 71 -1.202 3.855 -8.376 1.00 0.00 C ATOM 1052 O LYS A 71 0.014 3.666 -8.335 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.427 6.252 -9.056 1.00 0.00 C ATOM 1054 CG LYS A 71 -2.166 6.072 -10.371 1.00 0.00 C ATOM 1055 CD LYS A 71 -1.989 7.277 -11.279 1.00 0.00 C ATOM 1056 CE LYS A 71 -2.920 8.413 -10.886 1.00 0.00 C ATOM 1057 NZ LYS A 71 -2.653 9.647 -11.675 1.00 0.00 N ATOM 0 H LYS A 71 -0.458 6.169 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.880 5.110 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.640 7.246 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.354 6.206 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.800 5.178 -10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.227 5.916 -10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.955 7.620 -11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.183 6.987 -12.312 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.954 8.103 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.802 8.628 -9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.308 10.398 -11.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.674 9.958 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.790 9.449 -12.687 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.068 2.917 -8.746 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.628 1.583 -9.134 1.00 0.00 C ATOM 1073 C ILE A 72 -0.869 1.616 -10.455 1.00 0.00 C ATOM 1074 O ILE A 72 -1.437 1.925 -11.503 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.819 0.613 -9.263 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.612 0.568 -7.955 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.331 -0.777 -9.641 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.875 -0.116 -6.825 1.00 0.00 C ATOM 0 H ILE A 72 -3.078 3.057 -8.785 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.964 1.228 -8.346 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.478 0.973 -10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.858 1.586 -7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.555 0.050 -8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.183 -1.451 -9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.805 -0.731 -10.595 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.654 -1.147 -8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.497 -0.111 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.652 -1.145 -7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.944 0.415 -6.624 1.00 0.00 H new ATOM 1090 N PHE A 73 0.419 1.295 -10.399 1.00 0.00 N ATOM 1091 CA PHE A 73 1.258 1.287 -11.593 1.00 0.00 C ATOM 1092 C PHE A 73 1.726 -0.128 -11.919 1.00 0.00 C ATOM 1093 O PHE A 73 1.342 -1.090 -11.253 1.00 0.00 O ATOM 1094 CB PHE A 73 2.467 2.204 -11.398 1.00 0.00 C ATOM 1095 CG PHE A 73 3.469 1.675 -10.412 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.190 1.671 -9.055 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.690 1.181 -10.843 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.109 1.184 -8.145 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.613 0.692 -9.938 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.323 0.695 -8.587 1.00 0.00 C ATOM 0 H PHE A 73 0.905 1.037 -9.540 1.00 0.00 H new ATOM 0 HA PHE A 73 0.662 1.655 -12.428 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.959 2.352 -12.359 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.121 3.182 -11.063 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.243 2.053 -8.704 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.923 1.178 -11.898 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.878 1.186 -7.090 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.560 0.308 -10.286 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.044 0.316 -7.878 1.00 0.00 H new ATOM 1110 N ASP A 74 2.558 -0.247 -12.948 1.00 0.00 N ATOM 1111 CA ASP A 74 3.080 -1.543 -13.364 1.00 0.00 C ATOM 1112 C ASP A 74 4.552 -1.682 -12.989 1.00 0.00 C ATOM 1113 O ASP A 74 5.449 -1.460 -13.802 1.00 0.00 O ATOM 1114 CB ASP A 74 2.905 -1.728 -14.872 1.00 0.00 C ATOM 1115 CG ASP A 74 3.093 -0.433 -15.639 1.00 0.00 C ATOM 1116 OD1 ASP A 74 4.154 0.204 -15.476 1.00 0.00 O ATOM 1117 OD2 ASP A 74 2.178 -0.057 -16.402 1.00 0.00 O ATOM 0 H ASP A 74 2.885 0.539 -13.509 1.00 0.00 H new ATOM 0 HA ASP A 74 2.517 -2.317 -12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.622 -2.467 -15.230 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.910 -2.125 -15.074 1.00 0.00 H new