USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=8 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 51 ASN : amide:sc= -2.01! C(o=-2.1!,f=-9.1!) USER MOD Set 1.2: A 53 GLN : amide:sc= -0.0568 X(o=-2.1,f=-2.1) USER MOD Set 2.1: A 28 CYS SG : rot 170:sc= 0 USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.37) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0307 (180deg=-0.244) USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= -1.38 (180deg=-2.8!) 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 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -144:sc= -3.68! (180deg=-6.05!) USER MOD Single : A 49 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.31) USER MOD Single : A 59 ASN : amide:sc= -2.68 X(o=-2.7,f=-2.8) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00991 USER MOD Single : A 69 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-3.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N PRO A 16 0.655 -9.239 -3.345 1.00 0.00 N ATOM 177 CA PRO A 16 0.294 -7.901 -2.867 1.00 0.00 C ATOM 178 C PRO A 16 0.425 -6.842 -3.956 1.00 0.00 C ATOM 179 O PRO A 16 1.375 -6.855 -4.738 1.00 0.00 O ATOM 180 CB PRO A 16 1.302 -7.641 -1.744 1.00 0.00 C ATOM 181 CG PRO A 16 2.474 -8.495 -2.083 1.00 0.00 C ATOM 182 CD PRO A 16 1.915 -9.719 -2.755 1.00 0.00 C ATOM 0 HA PRO A 16 -0.746 -7.850 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.580 -6.588 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.888 -7.905 -0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.163 -7.968 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.034 -8.763 -1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.594 -10.105 -3.516 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.743 -10.526 -2.042 1.00 0.00 H new ATOM 190 N VAL A 17 -0.536 -5.924 -4.001 1.00 0.00 N ATOM 191 CA VAL A 17 -0.527 -4.856 -4.993 1.00 0.00 C ATOM 192 C VAL A 17 0.369 -3.704 -4.553 1.00 0.00 C ATOM 193 O VAL A 17 0.327 -3.276 -3.399 1.00 0.00 O ATOM 194 CB VAL A 17 -1.947 -4.317 -5.250 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.911 -3.174 -6.253 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.860 -5.433 -5.735 1.00 0.00 C ATOM 0 H VAL A 17 -1.330 -5.899 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.136 -5.285 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.346 -3.933 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.923 -2.806 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.292 -2.366 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.492 -3.529 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.859 -5.035 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.466 -5.848 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.910 -6.217 -4.979 1.00 0.00 H new ATOM 206 N PHE A 18 1.180 -3.205 -5.479 1.00 0.00 N ATOM 207 CA PHE A 18 2.089 -2.102 -5.187 1.00 0.00 C ATOM 208 C PHE A 18 1.525 -0.782 -5.704 1.00 0.00 C ATOM 209 O PHE A 18 0.980 -0.717 -6.806 1.00 0.00 O ATOM 210 CB PHE A 18 3.460 -2.364 -5.812 1.00 0.00 C ATOM 211 CG PHE A 18 4.267 -3.395 -5.076 1.00 0.00 C ATOM 212 CD1 PHE A 18 5.040 -3.038 -3.983 1.00 0.00 C ATOM 213 CD2 PHE A 18 4.254 -4.721 -5.478 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.784 -3.985 -3.304 1.00 0.00 C ATOM 215 CE2 PHE A 18 4.995 -5.672 -4.803 1.00 0.00 C ATOM 216 CZ PHE A 18 5.762 -5.303 -3.715 1.00 0.00 C ATOM 0 H PHE A 18 1.227 -3.547 -6.439 1.00 0.00 H new ATOM 0 HA PHE A 18 2.199 -2.031 -4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.324 -2.689 -6.844 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.021 -1.430 -5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.062 -2.008 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.658 -5.015 -6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.382 -3.694 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.975 -6.702 -5.126 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.343 -6.044 -3.187 1.00 0.00 H new ATOM 226 N ALA A 19 1.660 0.268 -4.901 1.00 0.00 N ATOM 227 CA ALA A 19 1.167 1.587 -5.277 1.00 0.00 C ATOM 228 C ALA A 19 2.173 2.674 -4.913 1.00 0.00 C ATOM 229 O ALA A 19 2.533 2.836 -3.747 1.00 0.00 O ATOM 230 CB ALA A 19 -0.172 1.859 -4.608 1.00 0.00 C ATOM 0 H ALA A 19 2.107 0.231 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 19 1.031 1.603 -6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.529 2.847 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.895 1.106 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.053 1.819 -3.525 1.00 0.00 H new ATOM 236 N LYS A 20 2.624 3.416 -5.919 1.00 0.00 N ATOM 237 CA LYS A 20 3.588 4.488 -5.706 1.00 0.00 C ATOM 238 C LYS A 20 2.896 5.751 -5.204 1.00 0.00 C ATOM 239 O LYS A 20 1.941 6.231 -5.814 1.00 0.00 O ATOM 240 CB LYS A 20 4.342 4.789 -7.004 1.00 0.00 C ATOM 241 CG LYS A 20 5.124 6.090 -6.965 1.00 0.00 C ATOM 242 CD LYS A 20 6.155 6.154 -8.080 1.00 0.00 C ATOM 243 CE LYS A 20 7.485 5.559 -7.643 1.00 0.00 C ATOM 244 NZ LYS A 20 8.628 6.138 -8.402 1.00 0.00 N ATOM 0 H LYS A 20 2.337 3.294 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 20 4.298 4.158 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.028 3.969 -7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.629 4.828 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.437 6.931 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.623 6.187 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.783 5.616 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.301 7.191 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.630 5.737 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.464 4.479 -7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.516 5.707 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.503 5.947 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.664 7.165 -8.245 1.00 0.00 H new ATOM 258 N ALA A 21 3.384 6.284 -4.089 1.00 0.00 N ATOM 259 CA ALA A 21 2.814 7.493 -3.507 1.00 0.00 C ATOM 260 C ALA A 21 3.095 8.709 -4.383 1.00 0.00 C ATOM 261 O ALA A 21 4.220 9.208 -4.426 1.00 0.00 O ATOM 262 CB ALA A 21 3.361 7.713 -2.105 1.00 0.00 C ATOM 0 H ALA A 21 4.173 5.898 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 21 1.733 7.363 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.927 8.619 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.104 6.861 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.445 7.817 -2.150 1.00 0.00 H new ATOM 268 N ILE A 22 2.067 9.181 -5.080 1.00 0.00 N ATOM 269 CA ILE A 22 2.204 10.339 -5.955 1.00 0.00 C ATOM 270 C ILE A 22 1.970 11.637 -5.190 1.00 0.00 C ATOM 271 O ILE A 22 2.445 12.699 -5.590 1.00 0.00 O ATOM 272 CB ILE A 22 1.222 10.270 -7.139 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.214 10.125 -6.631 1.00 0.00 C ATOM 274 CG2 ILE A 22 1.583 9.114 -8.060 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.258 10.553 -7.638 1.00 0.00 C ATOM 0 H ILE A 22 1.130 8.779 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 22 3.224 10.325 -6.339 1.00 0.00 H new ATOM 0 HB ILE A 22 1.295 11.198 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.390 9.085 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.331 10.718 -5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.880 9.078 -8.892 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.593 9.257 -8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.535 8.177 -7.504 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.252 10.423 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.108 11.602 -7.894 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.168 9.943 -8.537 1.00 0.00 H new ATOM 287 N GLN A 23 1.235 11.542 -4.086 1.00 0.00 N ATOM 288 CA GLN A 23 0.939 12.709 -3.264 1.00 0.00 C ATOM 289 C GLN A 23 1.411 12.498 -1.829 1.00 0.00 C ATOM 290 O GLN A 23 1.411 11.376 -1.322 1.00 0.00 O ATOM 291 CB GLN A 23 -0.562 13.004 -3.281 1.00 0.00 C ATOM 292 CG GLN A 23 -1.037 13.666 -4.564 1.00 0.00 C ATOM 293 CD GLN A 23 -0.600 15.114 -4.670 1.00 0.00 C ATOM 294 OE1 GLN A 23 -0.709 15.879 -3.712 1.00 0.00 O ATOM 295 NE2 GLN A 23 -0.102 15.498 -5.840 1.00 0.00 N ATOM 0 H GLN A 23 0.834 10.670 -3.741 1.00 0.00 H new ATOM 0 HA GLN A 23 1.475 13.561 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.109 12.072 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.807 13.649 -2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.652 13.111 -5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.125 13.614 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.030 14.830 -6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.208 16.461 -5.971 1.00 0.00 H new ATOM 304 N LYS A 24 1.814 13.584 -1.178 1.00 0.00 N ATOM 305 CA LYS A 24 2.289 13.520 0.199 1.00 0.00 C ATOM 306 C LYS A 24 1.143 13.205 1.155 1.00 0.00 C ATOM 307 O LYS A 24 0.097 13.853 1.119 1.00 0.00 O ATOM 308 CB LYS A 24 2.949 14.843 0.595 1.00 0.00 C ATOM 309 CG LYS A 24 3.724 14.769 1.899 1.00 0.00 C ATOM 310 CD LYS A 24 4.432 16.079 2.202 1.00 0.00 C ATOM 311 CE LYS A 24 5.392 15.936 3.373 1.00 0.00 C ATOM 312 NZ LYS A 24 6.552 15.065 3.035 1.00 0.00 N ATOM 0 H LYS A 24 1.821 14.520 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 24 3.026 12.720 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.624 15.156 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.181 15.611 0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.043 14.525 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.456 13.963 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.980 16.410 1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.694 16.849 2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.752 16.921 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.862 15.519 4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.313 15.216 3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.256 14.068 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.898 15.302 2.083 1.00 0.00 H new ATOM 326 N ARG A 25 1.347 12.208 2.009 1.00 0.00 N ATOM 327 CA ARG A 25 0.331 11.808 2.975 1.00 0.00 C ATOM 328 C ARG A 25 0.877 11.876 4.398 1.00 0.00 C ATOM 329 O ARG A 25 1.839 11.188 4.739 1.00 0.00 O ATOM 330 CB ARG A 25 -0.161 10.392 2.673 1.00 0.00 C ATOM 331 CG ARG A 25 -1.102 9.835 3.729 1.00 0.00 C ATOM 332 CD ARG A 25 -2.518 10.357 3.543 1.00 0.00 C ATOM 333 NE ARG A 25 -2.704 11.667 4.162 1.00 0.00 N ATOM 334 CZ ARG A 25 -3.867 12.309 4.188 1.00 0.00 C ATOM 335 NH1 ARG A 25 -4.941 11.765 3.633 1.00 0.00 N ATOM 336 NH2 ARG A 25 -3.957 13.498 4.771 1.00 0.00 N ATOM 0 H ARG A 25 2.207 11.662 2.052 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.506 12.501 2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.669 10.391 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.700 9.730 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.105 8.746 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.740 10.107 4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.743 10.424 2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.225 9.649 3.974 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.897 12.113 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.876 10.851 3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.832 12.260 3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.133 13.920 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.850 13.990 4.790 1.00 0.00 H new ATOM 350 N VAL A 26 0.255 12.711 5.226 1.00 0.00 N ATOM 351 CA VAL A 26 0.678 12.868 6.612 1.00 0.00 C ATOM 352 C VAL A 26 -0.494 12.678 7.569 1.00 0.00 C ATOM 353 O VAL A 26 -1.544 13.306 7.435 1.00 0.00 O ATOM 354 CB VAL A 26 1.304 14.254 6.854 1.00 0.00 C ATOM 355 CG1 VAL A 26 2.795 14.226 6.555 1.00 0.00 C ATOM 356 CG2 VAL A 26 0.603 15.310 6.012 1.00 0.00 C ATOM 0 H VAL A 26 -0.543 13.288 4.960 1.00 0.00 H new ATOM 0 HA VAL A 26 1.428 12.100 6.803 1.00 0.00 H new ATOM 0 HB VAL A 26 1.173 14.514 7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.220 15.214 6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.283 13.500 7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.952 13.944 5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.058 16.283 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.701 15.057 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.453 15.347 6.280 1.00 0.00 H new ATOM 366 N PRO A 27 -0.311 11.792 8.559 1.00 0.00 N ATOM 367 CA PRO A 27 -1.342 11.499 9.559 1.00 0.00 C ATOM 368 C PRO A 27 -1.572 12.666 10.513 1.00 0.00 C ATOM 369 O PRO A 27 -0.727 13.554 10.639 1.00 0.00 O ATOM 370 CB PRO A 27 -0.773 10.295 10.314 1.00 0.00 C ATOM 371 CG PRO A 27 0.703 10.402 10.138 1.00 0.00 C ATOM 372 CD PRO A 27 0.915 11.008 8.779 1.00 0.00 C ATOM 0 HA PRO A 27 -2.313 11.311 9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.049 10.322 11.368 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.153 9.357 9.909 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.145 11.025 10.916 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.176 9.422 10.207 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.804 11.638 8.754 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.045 10.243 8.014 1.00 0.00 H new ATOM 380 N CYS A 28 -2.719 12.659 11.184 1.00 0.00 N ATOM 381 CA CYS A 28 -3.060 13.717 12.128 1.00 0.00 C ATOM 382 C CYS A 28 -2.653 13.333 13.547 1.00 0.00 C ATOM 383 O CYS A 28 -2.379 12.167 13.830 1.00 0.00 O ATOM 384 CB CYS A 28 -4.559 14.012 12.076 1.00 0.00 C ATOM 385 SG CYS A 28 -5.030 15.228 10.824 1.00 0.00 S ATOM 0 H CYS A 28 -3.428 11.932 11.092 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.511 14.614 11.843 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.095 13.082 11.884 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.882 14.370 13.054 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.325 15.254 10.709 1.00 0.00 H new ATOM 391 N ALA A 29 -2.614 14.321 14.434 1.00 0.00 N ATOM 392 CA ALA A 29 -2.241 14.086 15.823 1.00 0.00 C ATOM 393 C ALA A 29 -3.087 12.977 16.439 1.00 0.00 C ATOM 394 O ALA A 29 -2.559 12.040 17.038 1.00 0.00 O ATOM 395 CB ALA A 29 -2.379 15.369 16.631 1.00 0.00 C ATOM 0 H ALA A 29 -2.836 15.292 14.215 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.199 13.766 15.844 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.097 15.179 17.667 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.726 16.135 16.212 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.413 15.713 16.594 1.00 0.00 H new ATOM 401 N TYR A 30 -4.402 13.090 16.289 1.00 0.00 N ATOM 402 CA TYR A 30 -5.322 12.098 16.833 1.00 0.00 C ATOM 403 C TYR A 30 -5.298 10.819 16.002 1.00 0.00 C ATOM 404 O TYR A 30 -5.383 9.715 16.539 1.00 0.00 O ATOM 405 CB TYR A 30 -6.743 12.662 16.881 1.00 0.00 C ATOM 406 CG TYR A 30 -7.189 13.292 15.580 1.00 0.00 C ATOM 407 CD1 TYR A 30 -7.796 12.530 14.589 1.00 0.00 C ATOM 408 CD2 TYR A 30 -7.002 14.648 15.342 1.00 0.00 C ATOM 409 CE1 TYR A 30 -8.205 13.101 13.399 1.00 0.00 C ATOM 410 CE2 TYR A 30 -7.408 15.227 14.156 1.00 0.00 C ATOM 411 CZ TYR A 30 -8.009 14.450 13.188 1.00 0.00 C ATOM 412 OH TYR A 30 -8.414 15.023 12.004 1.00 0.00 O ATOM 0 H TYR A 30 -4.855 13.859 15.795 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.999 11.857 17.846 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.434 11.861 17.143 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.803 13.407 17.675 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.951 11.474 14.752 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.531 15.260 16.097 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.675 12.495 12.639 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.256 16.283 13.987 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.204 15.980 12.015 1.00 0.00 H new ATOM 422 N ASP A 31 -5.180 10.977 14.688 1.00 0.00 N ATOM 423 CA ASP A 31 -5.143 9.836 13.781 1.00 0.00 C ATOM 424 C ASP A 31 -3.840 9.058 13.940 1.00 0.00 C ATOM 425 O ASP A 31 -2.768 9.538 13.570 1.00 0.00 O ATOM 426 CB ASP A 31 -5.298 10.303 12.333 1.00 0.00 C ATOM 427 CG ASP A 31 -6.729 10.674 11.995 1.00 0.00 C ATOM 428 OD1 ASP A 31 -7.633 9.858 12.270 1.00 0.00 O ATOM 429 OD2 ASP A 31 -6.944 11.779 11.454 1.00 0.00 O ATOM 0 H ASP A 31 -5.108 11.884 14.227 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.973 9.176 14.033 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.652 11.164 12.161 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.962 9.513 11.661 1.00 0.00 H new ATOM 434 N LYS A 32 -3.940 7.854 14.494 1.00 0.00 N ATOM 435 CA LYS A 32 -2.771 7.008 14.703 1.00 0.00 C ATOM 436 C LYS A 32 -2.714 5.892 13.665 1.00 0.00 C ATOM 437 O LYS A 32 -1.637 5.416 13.308 1.00 0.00 O ATOM 438 CB LYS A 32 -2.795 6.409 16.111 1.00 0.00 C ATOM 439 CG LYS A 32 -1.413 6.140 16.681 1.00 0.00 C ATOM 440 CD LYS A 32 -0.924 4.746 16.323 1.00 0.00 C ATOM 441 CE LYS A 32 -1.502 3.696 17.260 1.00 0.00 C ATOM 442 NZ LYS A 32 -2.905 3.346 16.902 1.00 0.00 N ATOM 0 H LYS A 32 -4.819 7.442 14.806 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.881 7.628 14.593 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.328 7.088 16.777 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.358 5.476 16.090 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.711 6.882 16.301 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.438 6.251 17.765 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.205 4.513 15.296 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.165 4.718 16.370 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.884 2.799 17.226 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.470 4.066 18.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.080 2.344 17.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.561 3.939 17.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.055 3.510 15.886 1.00 0.00 H new ATOM 456 N THR A 33 -3.882 5.480 13.182 1.00 0.00 N ATOM 457 CA THR A 33 -3.966 4.420 12.184 1.00 0.00 C ATOM 458 C THR A 33 -3.549 4.927 10.808 1.00 0.00 C ATOM 459 O THR A 33 -3.129 4.150 9.952 1.00 0.00 O ATOM 460 CB THR A 33 -5.391 3.842 12.097 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.287 4.827 11.570 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.876 3.388 13.465 1.00 0.00 C ATOM 0 H THR A 33 -4.783 5.864 13.466 1.00 0.00 H new ATOM 0 HA THR A 33 -3.282 3.632 12.500 1.00 0.00 H new ATOM 0 HB THR A 33 -5.369 2.978 11.433 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.191 4.452 11.516 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.884 2.984 13.378 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.208 2.618 13.851 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.883 4.237 14.149 1.00 0.00 H new ATOM 470 N ALA A 34 -3.669 6.235 10.603 1.00 0.00 N ATOM 471 CA ALA A 34 -3.302 6.845 9.331 1.00 0.00 C ATOM 472 C ALA A 34 -1.819 6.649 9.036 1.00 0.00 C ATOM 473 O ALA A 34 -0.960 7.051 9.822 1.00 0.00 O ATOM 474 CB ALA A 34 -3.650 8.326 9.336 1.00 0.00 C ATOM 0 H ALA A 34 -4.017 6.892 11.301 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.871 6.352 8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.370 8.769 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.722 8.447 9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.107 8.825 10.139 1.00 0.00 H new ATOM 480 N LEU A 35 -1.524 6.028 7.899 1.00 0.00 N ATOM 481 CA LEU A 35 -0.143 5.778 7.500 1.00 0.00 C ATOM 482 C LEU A 35 0.477 7.024 6.875 1.00 0.00 C ATOM 483 O LEU A 35 -0.144 7.691 6.049 1.00 0.00 O ATOM 484 CB LEU A 35 -0.080 4.613 6.511 1.00 0.00 C ATOM 485 CG LEU A 35 1.181 3.750 6.570 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.289 2.878 5.329 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.418 4.623 6.720 1.00 0.00 C ATOM 0 H LEU A 35 -2.222 5.688 7.237 1.00 0.00 H new ATOM 0 HA LEU A 35 0.426 5.520 8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.944 3.971 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.175 5.014 5.502 1.00 0.00 H new ATOM 0 HG LEU A 35 1.112 3.099 7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.192 2.271 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.417 2.227 5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.335 3.511 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.306 3.992 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.492 5.299 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.344 5.204 7.639 1.00 0.00 H new ATOM 499 N ALA A 36 1.708 7.330 7.274 1.00 0.00 N ATOM 500 CA ALA A 36 2.414 8.492 6.751 1.00 0.00 C ATOM 501 C ALA A 36 3.330 8.104 5.596 1.00 0.00 C ATOM 502 O ALA A 36 4.112 7.157 5.701 1.00 0.00 O ATOM 503 CB ALA A 36 3.212 9.167 7.856 1.00 0.00 C ATOM 0 H ALA A 36 2.236 6.788 7.958 1.00 0.00 H new ATOM 0 HA ALA A 36 1.673 9.196 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.734 10.034 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.536 9.489 8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.938 8.463 8.262 1.00 0.00 H new ATOM 509 N LEU A 37 3.229 8.838 4.494 1.00 0.00 N ATOM 510 CA LEU A 37 4.050 8.570 3.317 1.00 0.00 C ATOM 511 C LEU A 37 4.571 9.868 2.709 1.00 0.00 C ATOM 512 O LEU A 37 4.093 10.954 3.037 1.00 0.00 O ATOM 513 CB LEU A 37 3.243 7.793 2.275 1.00 0.00 C ATOM 514 CG LEU A 37 2.446 6.597 2.799 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.466 6.106 1.744 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.383 5.476 3.223 1.00 0.00 C ATOM 0 H LEU A 37 2.587 9.624 4.390 1.00 0.00 H new ATOM 0 HA LEU A 37 4.904 7.969 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.550 8.483 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.928 7.439 1.505 1.00 0.00 H new ATOM 0 HG LEU A 37 1.878 6.917 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.908 5.255 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.774 6.908 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.014 5.802 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.799 4.634 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.979 5.157 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.044 5.833 4.012 1.00 0.00 H new ATOM 528 N GLU A 38 5.551 9.747 1.819 1.00 0.00 N ATOM 529 CA GLU A 38 6.135 10.911 1.165 1.00 0.00 C ATOM 530 C GLU A 38 6.226 10.699 -0.344 1.00 0.00 C ATOM 531 O GLU A 38 6.481 9.589 -0.812 1.00 0.00 O ATOM 532 CB GLU A 38 7.526 11.201 1.734 1.00 0.00 C ATOM 533 CG GLU A 38 8.569 10.165 1.349 1.00 0.00 C ATOM 534 CD GLU A 38 8.616 8.998 2.315 1.00 0.00 C ATOM 535 OE1 GLU A 38 7.536 8.507 2.706 1.00 0.00 O ATOM 536 OE2 GLU A 38 9.733 8.575 2.682 1.00 0.00 O ATOM 0 H GLU A 38 5.957 8.855 1.535 1.00 0.00 H new ATOM 0 HA GLU A 38 5.486 11.766 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.854 12.181 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.461 11.253 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.354 9.794 0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.550 10.639 1.310 1.00 0.00 H new ATOM 543 N VAL A 39 6.014 11.771 -1.101 1.00 0.00 N ATOM 544 CA VAL A 39 6.072 11.703 -2.556 1.00 0.00 C ATOM 545 C VAL A 39 7.223 10.818 -3.019 1.00 0.00 C ATOM 546 O VAL A 39 8.389 11.114 -2.764 1.00 0.00 O ATOM 547 CB VAL A 39 6.233 13.104 -3.177 1.00 0.00 C ATOM 548 CG1 VAL A 39 6.342 13.007 -4.691 1.00 0.00 C ATOM 549 CG2 VAL A 39 5.072 14.001 -2.774 1.00 0.00 C ATOM 0 H VAL A 39 5.801 12.697 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 39 5.129 11.271 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 39 7.154 13.548 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.455 14.006 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.209 12.401 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.440 12.544 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.201 14.987 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.136 13.564 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.045 14.096 -1.688 1.00 0.00 H new ATOM 559 N GLY A 40 6.887 9.729 -3.704 1.00 0.00 N ATOM 560 CA GLY A 40 7.904 8.817 -4.194 1.00 0.00 C ATOM 561 C GLY A 40 8.166 7.672 -3.235 1.00 0.00 C ATOM 562 O GLY A 40 9.317 7.313 -2.986 1.00 0.00 O ATOM 0 H GLY A 40 5.928 9.462 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.593 8.415 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.830 9.366 -4.361 1.00 0.00 H new ATOM 566 N ASP A 41 7.096 7.099 -2.695 1.00 0.00 N ATOM 567 CA ASP A 41 7.215 5.988 -1.757 1.00 0.00 C ATOM 568 C ASP A 41 6.265 4.856 -2.134 1.00 0.00 C ATOM 569 O ASP A 41 5.059 5.063 -2.269 1.00 0.00 O ATOM 570 CB ASP A 41 6.925 6.462 -0.333 1.00 0.00 C ATOM 571 CG ASP A 41 8.168 6.965 0.375 1.00 0.00 C ATOM 572 OD1 ASP A 41 8.924 7.747 -0.238 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.385 6.575 1.542 1.00 0.00 O ATOM 0 H ASP A 41 6.137 7.385 -2.890 1.00 0.00 H new ATOM 0 HA ASP A 41 8.237 5.612 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.180 7.258 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.492 5.641 0.239 1.00 0.00 H new ATOM 578 N ILE A 42 6.817 3.659 -2.302 1.00 0.00 N ATOM 579 CA ILE A 42 6.019 2.494 -2.662 1.00 0.00 C ATOM 580 C ILE A 42 5.354 1.882 -1.434 1.00 0.00 C ATOM 581 O ILE A 42 6.025 1.509 -0.472 1.00 0.00 O ATOM 582 CB ILE A 42 6.874 1.419 -3.358 1.00 0.00 C ATOM 583 CG1 ILE A 42 7.579 2.009 -4.581 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.010 0.232 -3.759 1.00 0.00 C ATOM 585 CD1 ILE A 42 6.667 2.833 -5.464 1.00 0.00 C ATOM 0 H ILE A 42 7.814 3.471 -2.195 1.00 0.00 H new ATOM 0 HA ILE A 42 5.251 2.840 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 42 7.633 1.071 -2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.409 2.632 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.007 1.198 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.629 -0.519 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.551 -0.201 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.231 0.564 -4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.233 3.220 -6.311 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.851 2.208 -5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.259 3.665 -4.890 1.00 0.00 H new ATOM 597 N VAL A 43 4.029 1.780 -1.474 1.00 0.00 N ATOM 598 CA VAL A 43 3.272 1.210 -0.366 1.00 0.00 C ATOM 599 C VAL A 43 2.955 -0.260 -0.615 1.00 0.00 C ATOM 600 O VAL A 43 2.162 -0.596 -1.495 1.00 0.00 O ATOM 601 CB VAL A 43 1.956 1.975 -0.133 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.324 1.562 1.187 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.199 3.477 -0.170 1.00 0.00 C ATOM 0 H VAL A 43 3.458 2.085 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 43 3.897 1.298 0.522 1.00 0.00 H new ATOM 0 HB VAL A 43 1.263 1.722 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.395 2.113 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.113 0.493 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.011 1.784 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.258 4.002 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.910 3.750 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.603 3.756 -1.143 1.00 0.00 H new ATOM 613 N LYS A 44 3.580 -1.135 0.166 1.00 0.00 N ATOM 614 CA LYS A 44 3.365 -2.571 0.033 1.00 0.00 C ATOM 615 C LYS A 44 2.189 -3.026 0.891 1.00 0.00 C ATOM 616 O LYS A 44 2.285 -3.075 2.118 1.00 0.00 O ATOM 617 CB LYS A 44 4.628 -3.336 0.432 1.00 0.00 C ATOM 618 CG LYS A 44 4.528 -4.835 0.209 1.00 0.00 C ATOM 619 CD LYS A 44 5.406 -5.604 1.182 1.00 0.00 C ATOM 620 CE LYS A 44 4.916 -7.032 1.366 1.00 0.00 C ATOM 621 NZ LYS A 44 5.483 -7.950 0.339 1.00 0.00 N ATOM 0 H LYS A 44 4.240 -0.874 0.898 1.00 0.00 H new ATOM 0 HA LYS A 44 3.134 -2.784 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.473 -2.948 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.840 -3.147 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.492 -5.152 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.822 -5.072 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.433 -5.615 0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.416 -5.095 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.191 -7.385 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.828 -7.052 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.125 -8.913 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.200 -7.628 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.521 -7.950 0.409 1.00 0.00 H new ATOM 635 N VAL A 45 1.080 -3.361 0.239 1.00 0.00 N ATOM 636 CA VAL A 45 -0.113 -3.816 0.942 1.00 0.00 C ATOM 637 C VAL A 45 -0.262 -5.330 0.850 1.00 0.00 C ATOM 638 O VAL A 45 -0.057 -5.922 -0.210 1.00 0.00 O ATOM 639 CB VAL A 45 -1.383 -3.151 0.380 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.303 -3.040 -1.135 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.622 -3.927 0.801 1.00 0.00 C ATOM 0 H VAL A 45 0.983 -3.326 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 45 0.007 -3.529 1.987 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.456 -2.144 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.209 -2.568 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.438 -2.437 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.205 -4.035 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.510 -3.443 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.559 -4.947 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.686 -3.948 1.889 1.00 0.00 H new ATOM 651 N THR A 46 -0.621 -5.953 1.968 1.00 0.00 N ATOM 652 CA THR A 46 -0.798 -7.399 2.014 1.00 0.00 C ATOM 653 C THR A 46 -2.242 -7.767 2.336 1.00 0.00 C ATOM 654 O THR A 46 -2.725 -8.828 1.940 1.00 0.00 O ATOM 655 CB THR A 46 0.130 -8.045 3.060 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.252 -7.630 4.376 1.00 0.00 O ATOM 657 CG2 THR A 46 1.581 -7.666 2.804 1.00 0.00 C ATOM 0 H THR A 46 -0.795 -5.478 2.854 1.00 0.00 H new ATOM 0 HA THR A 46 -0.541 -7.780 1.026 1.00 0.00 H new ATOM 0 HB THR A 46 0.035 -9.128 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.342 -8.046 5.035 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.217 -8.134 3.555 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.877 -8.009 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.690 -6.583 2.860 1.00 0.00 H new ATOM 665 N ARG A 47 -2.926 -6.884 3.055 1.00 0.00 N ATOM 666 CA ARG A 47 -4.316 -7.117 3.430 1.00 0.00 C ATOM 667 C ARG A 47 -5.219 -6.015 2.882 1.00 0.00 C ATOM 668 O ARG A 47 -5.214 -4.890 3.381 1.00 0.00 O ATOM 669 CB ARG A 47 -4.450 -7.191 4.952 1.00 0.00 C ATOM 670 CG ARG A 47 -5.815 -7.667 5.421 1.00 0.00 C ATOM 671 CD ARG A 47 -5.876 -7.778 6.936 1.00 0.00 C ATOM 672 NE ARG A 47 -5.412 -9.079 7.409 1.00 0.00 N ATOM 673 CZ ARG A 47 -5.053 -9.319 8.665 1.00 0.00 C ATOM 674 NH1 ARG A 47 -5.106 -8.351 9.570 1.00 0.00 N ATOM 675 NH2 ARG A 47 -4.641 -10.530 9.019 1.00 0.00 N ATOM 0 H ARG A 47 -2.541 -6.001 3.390 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.628 -8.068 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.686 -7.863 5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.254 -6.205 5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.582 -6.974 5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.036 -8.637 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.267 -6.992 7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.901 -7.615 7.270 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.361 -9.846 6.738 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.423 -7.419 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.830 -8.538 10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.600 -11.277 8.326 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.366 -10.713 9.984 1.00 0.00 H new ATOM 689 N MET A 48 -5.991 -6.348 1.853 1.00 0.00 N ATOM 690 CA MET A 48 -6.900 -5.387 1.238 1.00 0.00 C ATOM 691 C MET A 48 -8.328 -5.598 1.729 1.00 0.00 C ATOM 692 O MET A 48 -8.915 -6.659 1.521 1.00 0.00 O ATOM 693 CB MET A 48 -6.849 -5.508 -0.286 1.00 0.00 C ATOM 694 CG MET A 48 -5.679 -4.770 -0.916 1.00 0.00 C ATOM 695 SD MET A 48 -6.031 -4.211 -2.593 1.00 0.00 S ATOM 696 CE MET A 48 -4.692 -3.050 -2.852 1.00 0.00 C ATOM 0 H MET A 48 -6.006 -7.275 1.428 1.00 0.00 H new ATOM 0 HA MET A 48 -6.580 -4.386 1.527 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.791 -6.562 -0.557 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.779 -5.122 -0.704 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.421 -3.910 -0.297 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.807 -5.424 -0.931 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.049 -2.210 -3.449 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.335 -2.685 -1.889 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.876 -3.547 -3.377 1.00 0.00 H new ATOM 706 N ASN A 49 -8.881 -4.581 2.383 1.00 0.00 N ATOM 707 CA ASN A 49 -10.241 -4.657 2.904 1.00 0.00 C ATOM 708 C ASN A 49 -11.252 -4.200 1.856 1.00 0.00 C ATOM 709 O ASN A 49 -10.923 -3.422 0.960 1.00 0.00 O ATOM 710 CB ASN A 49 -10.374 -3.801 4.165 1.00 0.00 C ATOM 711 CG ASN A 49 -9.291 -4.099 5.183 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.843 -5.238 5.314 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.865 -3.073 5.911 1.00 0.00 N ATOM 0 H ASN A 49 -8.408 -3.695 2.564 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.450 -5.697 3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.331 -2.747 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.351 -3.974 4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.138 -3.213 6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.265 -2.146 5.768 1.00 0.00 H new ATOM 720 N ILE A 50 -12.482 -4.688 1.976 1.00 0.00 N ATOM 721 CA ILE A 50 -13.540 -4.328 1.041 1.00 0.00 C ATOM 722 C ILE A 50 -13.875 -2.843 1.134 1.00 0.00 C ATOM 723 O ILE A 50 -13.948 -2.149 0.122 1.00 0.00 O ATOM 724 CB ILE A 50 -14.819 -5.148 1.296 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.525 -6.645 1.171 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.915 -4.736 0.324 1.00 0.00 C ATOM 727 CD1 ILE A 50 -14.047 -7.054 -0.204 1.00 0.00 C ATOM 0 H ILE A 50 -12.770 -5.333 2.711 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.167 -4.552 0.041 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.165 -4.948 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.769 -6.921 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.427 -7.206 1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.812 -5.324 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.140 -3.678 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.579 -4.911 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.858 -8.127 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.811 -6.809 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.127 -6.520 -0.443 1.00 0.00 H new ATOM 739 N ASN A 51 -14.076 -2.363 2.357 1.00 0.00 N ATOM 740 CA ASN A 51 -14.402 -0.960 2.584 1.00 0.00 C ATOM 741 C ASN A 51 -13.600 -0.058 1.650 1.00 0.00 C ATOM 742 O ASN A 51 -14.151 0.839 1.013 1.00 0.00 O ATOM 743 CB ASN A 51 -14.125 -0.579 4.040 1.00 0.00 C ATOM 744 CG ASN A 51 -12.704 -0.094 4.251 1.00 0.00 C ATOM 745 OD1 ASN A 51 -12.420 1.098 4.137 1.00 0.00 O ATOM 746 ND2 ASN A 51 -11.803 -1.020 4.559 1.00 0.00 N ATOM 0 H ASN A 51 -14.019 -2.925 3.206 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.463 -0.821 2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.822 0.201 4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.310 -1.442 4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.830 -0.754 4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.084 -1.997 4.643 1.00 0.00 H new ATOM 753 N GLY A 52 -12.296 -0.304 1.573 1.00 0.00 N ATOM 754 CA GLY A 52 -11.440 0.493 0.714 1.00 0.00 C ATOM 755 C GLY A 52 -10.060 0.704 1.305 1.00 0.00 C ATOM 756 O GLY A 52 -9.057 0.628 0.596 1.00 0.00 O ATOM 0 H GLY A 52 -11.817 -1.041 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.346 0.003 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.908 1.461 0.537 1.00 0.00 H new ATOM 760 N GLN A 53 -10.010 0.970 2.606 1.00 0.00 N ATOM 761 CA GLN A 53 -8.742 1.194 3.291 1.00 0.00 C ATOM 762 C GLN A 53 -7.974 -0.113 3.457 1.00 0.00 C ATOM 763 O GLN A 53 -8.500 -1.088 3.994 1.00 0.00 O ATOM 764 CB GLN A 53 -8.983 1.836 4.658 1.00 0.00 C ATOM 765 CG GLN A 53 -9.261 3.329 4.590 1.00 0.00 C ATOM 766 CD GLN A 53 -10.698 3.638 4.219 1.00 0.00 C ATOM 767 OE1 GLN A 53 -11.020 3.834 3.046 1.00 0.00 O ATOM 768 NE2 GLN A 53 -11.571 3.685 5.218 1.00 0.00 N ATOM 0 H GLN A 53 -10.832 1.036 3.207 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.143 1.870 2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.826 1.340 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.110 1.666 5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.033 3.782 5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.594 3.786 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.261 3.516 6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.552 3.890 5.029 1.00 0.00 H new ATOM 777 N TRP A 54 -6.730 -0.125 2.994 1.00 0.00 N ATOM 778 CA TRP A 54 -5.890 -1.314 3.092 1.00 0.00 C ATOM 779 C TRP A 54 -4.813 -1.133 4.156 1.00 0.00 C ATOM 780 O TRP A 54 -4.667 -0.053 4.726 1.00 0.00 O ATOM 781 CB TRP A 54 -5.242 -1.618 1.740 1.00 0.00 C ATOM 782 CG TRP A 54 -6.163 -1.400 0.577 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.470 -1.784 0.484 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.845 -0.748 -0.657 1.00 0.00 C ATOM 785 NE1 TRP A 54 -7.984 -1.410 -0.734 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.008 -0.772 -1.452 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.693 -0.145 -1.167 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.048 -0.218 -2.729 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.734 0.405 -2.434 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.905 0.366 -3.203 1.00 0.00 C ATOM 0 H TRP A 54 -6.280 0.674 2.547 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.523 -2.153 3.381 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.360 -0.989 1.618 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.899 -2.653 1.734 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.019 -2.305 1.254 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -8.938 -1.580 -1.052 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.786 -0.109 -0.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.949 -0.248 -3.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.849 0.873 -2.839 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.905 0.806 -4.189 1.00 0.00 H new ATOM 801 N GLU A 55 -4.062 -2.198 4.418 1.00 0.00 N ATOM 802 CA GLU A 55 -2.999 -2.156 5.415 1.00 0.00 C ATOM 803 C GLU A 55 -1.653 -2.515 4.792 1.00 0.00 C ATOM 804 O GLU A 55 -1.402 -3.671 4.454 1.00 0.00 O ATOM 805 CB GLU A 55 -3.311 -3.113 6.567 1.00 0.00 C ATOM 806 CG GLU A 55 -2.498 -2.841 7.822 1.00 0.00 C ATOM 807 CD GLU A 55 -2.721 -3.884 8.899 1.00 0.00 C ATOM 808 OE1 GLU A 55 -2.108 -4.968 8.811 1.00 0.00 O ATOM 809 OE2 GLU A 55 -3.509 -3.617 9.830 1.00 0.00 O ATOM 0 H GLU A 55 -4.170 -3.100 3.954 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.941 -1.139 5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.371 -3.043 6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.126 -4.136 6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.439 -2.810 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.759 -1.858 8.214 1.00 0.00 H new ATOM 816 N GLY A 56 -0.791 -1.514 4.641 1.00 0.00 N ATOM 817 CA GLY A 56 0.518 -1.744 4.058 1.00 0.00 C ATOM 818 C GLY A 56 1.622 -1.025 4.809 1.00 0.00 C ATOM 819 O GLY A 56 1.391 0.024 5.409 1.00 0.00 O ATOM 0 H GLY A 56 -0.976 -0.548 4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.726 -2.814 4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.513 -1.412 3.020 1.00 0.00 H new ATOM 823 N GLU A 57 2.824 -1.592 4.777 1.00 0.00 N ATOM 824 CA GLU A 57 3.966 -0.998 5.462 1.00 0.00 C ATOM 825 C GLU A 57 4.830 -0.202 4.489 1.00 0.00 C ATOM 826 O GLU A 57 5.108 -0.651 3.377 1.00 0.00 O ATOM 827 CB GLU A 57 4.806 -2.086 6.136 1.00 0.00 C ATOM 828 CG GLU A 57 5.583 -1.593 7.345 1.00 0.00 C ATOM 829 CD GLU A 57 6.875 -2.356 7.559 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.500 -2.756 6.554 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.262 -2.554 8.730 1.00 0.00 O ATOM 0 H GLU A 57 3.032 -2.461 4.285 1.00 0.00 H new ATOM 0 HA GLU A 57 3.587 -0.317 6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.151 -2.901 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.505 -2.497 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.807 -0.534 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.960 -1.684 8.235 1.00 0.00 H new ATOM 838 N VAL A 58 5.252 0.984 4.916 1.00 0.00 N ATOM 839 CA VAL A 58 6.085 1.844 4.084 1.00 0.00 C ATOM 840 C VAL A 58 7.284 2.371 4.866 1.00 0.00 C ATOM 841 O VAL A 58 7.159 3.302 5.660 1.00 0.00 O ATOM 842 CB VAL A 58 5.284 3.037 3.530 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.214 4.052 2.884 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.233 2.558 2.539 1.00 0.00 C ATOM 0 H VAL A 58 5.031 1.371 5.833 1.00 0.00 H new ATOM 0 HA VAL A 58 6.436 1.234 3.252 1.00 0.00 H new ATOM 0 HB VAL A 58 4.773 3.526 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.629 4.887 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.925 4.418 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.755 3.579 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.676 3.414 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.721 2.044 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.548 1.873 3.038 1.00 0.00 H new ATOM 854 N ASN A 59 8.446 1.768 4.634 1.00 0.00 N ATOM 855 CA ASN A 59 9.668 2.177 5.316 1.00 0.00 C ATOM 856 C ASN A 59 9.357 2.736 6.701 1.00 0.00 C ATOM 857 O ASN A 59 9.941 3.732 7.126 1.00 0.00 O ATOM 858 CB ASN A 59 10.414 3.224 4.487 1.00 0.00 C ATOM 859 CG ASN A 59 9.473 4.147 3.738 1.00 0.00 C ATOM 860 OD1 ASN A 59 9.190 3.938 2.558 1.00 0.00 O ATOM 861 ND2 ASN A 59 8.983 5.174 4.422 1.00 0.00 N ATOM 0 H ASN A 59 8.567 0.995 3.979 1.00 0.00 H new ATOM 0 HA ASN A 59 10.301 1.297 5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.052 3.815 5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.068 2.721 3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.344 5.829 3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.245 5.308 5.399 1.00 0.00 H new ATOM 868 N GLY A 60 8.432 2.087 7.402 1.00 0.00 N ATOM 869 CA GLY A 60 8.059 2.533 8.731 1.00 0.00 C ATOM 870 C GLY A 60 7.119 1.567 9.425 1.00 0.00 C ATOM 871 O GLY A 60 7.561 0.625 10.082 1.00 0.00 O ATOM 0 H GLY A 60 7.934 1.260 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.958 2.657 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.584 3.511 8.662 1.00 0.00 H new ATOM 875 N ARG A 61 5.819 1.803 9.280 1.00 0.00 N ATOM 876 CA ARG A 61 4.814 0.948 9.900 1.00 0.00 C ATOM 877 C ARG A 61 3.652 0.693 8.945 1.00 0.00 C ATOM 878 O ARG A 61 3.645 1.180 7.814 1.00 0.00 O ATOM 879 CB ARG A 61 4.297 1.586 11.191 1.00 0.00 C ATOM 880 CG ARG A 61 5.401 2.061 12.121 1.00 0.00 C ATOM 881 CD ARG A 61 4.957 3.257 12.948 1.00 0.00 C ATOM 882 NE ARG A 61 4.264 2.852 14.168 1.00 0.00 N ATOM 883 CZ ARG A 61 3.690 3.708 15.006 1.00 0.00 C ATOM 884 NH1 ARG A 61 3.726 5.010 14.758 1.00 0.00 N ATOM 885 NH2 ARG A 61 3.078 3.262 16.096 1.00 0.00 N ATOM 0 H ARG A 61 5.437 2.579 8.739 1.00 0.00 H new ATOM 0 HA ARG A 61 5.283 -0.007 10.137 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.658 2.432 10.937 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.675 0.864 11.719 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.694 1.247 12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.281 2.328 11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.827 3.861 13.208 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.299 3.887 12.350 1.00 0.00 H new ATOM 0 HE ARG A 61 4.218 1.857 14.389 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.195 5.357 13.922 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.284 5.665 15.404 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.048 2.261 16.291 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.638 3.920 16.739 1.00 0.00 H new ATOM 899 N LYS A 62 2.670 -0.074 9.407 1.00 0.00 N ATOM 900 CA LYS A 62 1.502 -0.394 8.595 1.00 0.00 C ATOM 901 C LYS A 62 0.314 0.481 8.983 1.00 0.00 C ATOM 902 O LYS A 62 -0.091 0.516 10.144 1.00 0.00 O ATOM 903 CB LYS A 62 1.134 -1.871 8.753 1.00 0.00 C ATOM 904 CG LYS A 62 2.330 -2.805 8.692 1.00 0.00 C ATOM 905 CD LYS A 62 1.948 -4.163 8.126 1.00 0.00 C ATOM 906 CE LYS A 62 2.994 -5.217 8.454 1.00 0.00 C ATOM 907 NZ LYS A 62 2.787 -6.467 7.671 1.00 0.00 N ATOM 0 H LYS A 62 2.660 -0.486 10.340 1.00 0.00 H new ATOM 0 HA LYS A 62 1.751 -0.198 7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.623 -2.010 9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.428 -2.147 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.110 -2.359 8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.746 -2.930 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.983 -4.468 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.832 -4.088 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.988 -4.819 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.958 -5.446 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.520 -7.160 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.849 -6.861 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.847 -6.254 6.655 1.00 0.00 H new ATOM 921 N GLY A 63 -0.241 1.186 8.002 1.00 0.00 N ATOM 922 CA GLY A 63 -1.378 2.050 8.261 1.00 0.00 C ATOM 923 C GLY A 63 -2.337 2.114 7.089 1.00 0.00 C ATOM 924 O GLY A 63 -2.022 1.648 5.993 1.00 0.00 O ATOM 0 H GLY A 63 0.076 1.174 7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.910 1.691 9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.022 3.054 8.490 1.00 0.00 H new ATOM 928 N LEU A 64 -3.511 2.692 7.317 1.00 0.00 N ATOM 929 CA LEU A 64 -4.520 2.814 6.271 1.00 0.00 C ATOM 930 C LEU A 64 -4.264 4.046 5.408 1.00 0.00 C ATOM 931 O LEU A 64 -4.181 5.165 5.914 1.00 0.00 O ATOM 932 CB LEU A 64 -5.917 2.893 6.890 1.00 0.00 C ATOM 933 CG LEU A 64 -6.349 1.689 7.727 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.758 1.891 8.265 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.269 0.411 6.905 1.00 0.00 C ATOM 0 H LEU A 64 -3.788 3.084 8.217 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.459 1.930 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.965 3.783 7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.641 3.031 6.087 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.668 1.596 8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.049 1.024 8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.784 2.784 8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.452 2.010 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.580 -0.435 7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.926 0.494 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.243 0.258 6.569 1.00 0.00 H new ATOM 947 N PHE A 65 -4.141 3.831 4.103 1.00 0.00 N ATOM 948 CA PHE A 65 -3.895 4.924 3.168 1.00 0.00 C ATOM 949 C PHE A 65 -4.939 4.933 2.056 1.00 0.00 C ATOM 950 O PHE A 65 -5.389 3.890 1.583 1.00 0.00 O ATOM 951 CB PHE A 65 -2.493 4.803 2.566 1.00 0.00 C ATOM 952 CG PHE A 65 -2.242 3.484 1.893 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.803 2.391 2.623 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.445 3.337 0.530 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.571 1.176 2.007 1.00 0.00 C ATOM 956 CE2 PHE A 65 -2.215 2.124 -0.091 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.776 1.042 0.648 1.00 0.00 C ATOM 0 H PHE A 65 -4.207 2.911 3.668 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.967 5.862 3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.346 5.605 1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.754 4.946 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.640 2.490 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.787 4.179 -0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.230 0.332 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.378 2.022 -1.154 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.594 0.094 0.164 1.00 0.00 H new ATOM 967 N PRO A 66 -5.336 6.141 1.628 1.00 0.00 N ATOM 968 CA PRO A 66 -6.332 6.317 0.567 1.00 0.00 C ATOM 969 C PRO A 66 -5.802 5.899 -0.800 1.00 0.00 C ATOM 970 O PRO A 66 -4.778 6.403 -1.262 1.00 0.00 O ATOM 971 CB PRO A 66 -6.615 7.821 0.593 1.00 0.00 C ATOM 972 CG PRO A 66 -5.381 8.430 1.164 1.00 0.00 C ATOM 973 CD PRO A 66 -4.842 7.428 2.147 1.00 0.00 C ATOM 0 HA PRO A 66 -7.215 5.700 0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.818 8.203 -0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.488 8.049 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.652 8.641 0.382 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.604 9.377 1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.753 7.453 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.205 7.620 3.157 1.00 0.00 H new ATOM 981 N PHE A 67 -6.506 4.973 -1.444 1.00 0.00 N ATOM 982 CA PHE A 67 -6.106 4.486 -2.759 1.00 0.00 C ATOM 983 C PHE A 67 -6.092 5.622 -3.779 1.00 0.00 C ATOM 984 O PHE A 67 -5.463 5.519 -4.832 1.00 0.00 O ATOM 985 CB PHE A 67 -7.053 3.378 -3.226 1.00 0.00 C ATOM 986 CG PHE A 67 -8.467 3.843 -3.426 1.00 0.00 C ATOM 987 CD1 PHE A 67 -8.812 4.597 -4.536 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.451 3.525 -2.504 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.112 5.026 -4.722 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.754 3.951 -2.685 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.085 4.702 -3.796 1.00 0.00 C ATOM 0 H PHE A 67 -7.356 4.545 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.097 4.082 -2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.680 2.963 -4.162 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.045 2.571 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.056 4.852 -5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.197 2.938 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -10.368 5.614 -5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.512 3.697 -1.959 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.102 5.035 -3.941 1.00 0.00 H new ATOM 1001 N THR A 68 -6.792 6.705 -3.458 1.00 0.00 N ATOM 1002 CA THR A 68 -6.863 7.860 -4.345 1.00 0.00 C ATOM 1003 C THR A 68 -5.604 8.712 -4.240 1.00 0.00 C ATOM 1004 O THR A 68 -5.471 9.729 -4.921 1.00 0.00 O ATOM 1005 CB THR A 68 -8.090 8.736 -4.030 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.161 8.993 -2.624 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.372 8.058 -4.492 1.00 0.00 C ATOM 0 H THR A 68 -7.318 6.807 -2.590 1.00 0.00 H new ATOM 0 HA THR A 68 -6.953 7.473 -5.360 1.00 0.00 H new ATOM 0 HB THR A 68 -7.982 9.679 -4.566 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.943 9.552 -2.433 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.225 8.695 -4.259 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.328 7.890 -5.568 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.483 7.102 -3.980 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.680 8.292 -3.381 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.430 9.017 -3.188 1.00 0.00 C ATOM 1017 C HIS A 69 -2.268 8.283 -3.851 1.00 0.00 C ATOM 1018 O HIS A 69 -1.296 8.902 -4.285 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.148 9.200 -1.696 1.00 0.00 C ATOM 1020 CG HIS A 69 -3.888 10.349 -1.083 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -3.456 11.004 0.050 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -5.038 10.959 -1.454 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -4.309 11.967 0.351 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -5.278 11.962 -0.546 1.00 0.00 N ATOM 0 H HIS A 69 -4.774 7.453 -2.808 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.531 9.997 -3.654 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.415 8.284 -1.169 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.078 9.350 -1.553 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.652 10.705 -2.305 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.228 12.644 1.189 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.075 12.599 -0.562 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.374 6.960 -3.924 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.333 6.142 -4.534 1.00 0.00 C ATOM 1035 C VAL A 70 -1.800 5.559 -5.863 1.00 0.00 C ATOM 1036 O VAL A 70 -2.905 5.025 -5.966 1.00 0.00 O ATOM 1037 CB VAL A 70 -0.906 4.992 -3.603 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.329 5.540 -2.307 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.081 4.067 -3.325 1.00 0.00 C ATOM 0 H VAL A 70 -3.171 6.432 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.478 6.795 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.129 4.413 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.033 4.713 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.542 6.157 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.082 6.144 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.761 3.260 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.882 4.630 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.443 3.647 -4.263 1.00 0.00 H new ATOM 1049 N LYS A 71 -0.952 5.665 -6.880 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.275 5.147 -8.204 1.00 0.00 C ATOM 1051 C LYS A 71 -0.850 3.687 -8.336 1.00 0.00 C ATOM 1052 O LYS A 71 0.292 3.335 -8.041 1.00 0.00 O ATOM 1053 CB LYS A 71 -0.591 5.987 -9.285 1.00 0.00 C ATOM 1054 CG LYS A 71 -1.214 5.832 -10.661 1.00 0.00 C ATOM 1055 CD LYS A 71 -2.469 6.677 -10.804 1.00 0.00 C ATOM 1056 CE LYS A 71 -2.689 7.108 -12.246 1.00 0.00 C ATOM 1057 NZ LYS A 71 -3.294 6.020 -13.064 1.00 0.00 N ATOM 0 H LYS A 71 -0.035 6.106 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.355 5.207 -8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.628 7.037 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.461 5.708 -9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.491 6.121 -11.423 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.458 4.784 -10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.333 6.110 -10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.390 7.558 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.338 7.983 -12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.737 7.406 -12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.428 6.353 -14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.663 5.194 -13.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.214 5.753 -12.660 1.00 0.00 H new ATOM 1071 N ILE A 72 -1.776 2.845 -8.782 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.496 1.425 -8.956 1.00 0.00 C ATOM 1073 C ILE A 72 -0.664 1.178 -10.210 1.00 0.00 C ATOM 1074 O ILE A 72 -1.113 1.436 -11.327 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.794 0.601 -9.044 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.625 0.781 -7.772 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.475 -0.868 -9.272 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.848 0.517 -6.501 1.00 0.00 C ATOM 0 H ILE A 72 -2.726 3.121 -9.029 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.932 1.106 -8.080 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.378 0.960 -9.891 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.017 1.798 -7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.483 0.110 -7.810 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.403 -1.437 -9.332 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.920 -0.980 -10.204 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.873 -1.242 -8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.499 0.663 -5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.479 -0.509 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.005 1.206 -6.440 1.00 0.00 H new ATOM 1090 N PHE A 73 0.551 0.675 -10.018 1.00 0.00 N ATOM 1091 CA PHE A 73 1.446 0.391 -11.133 1.00 0.00 C ATOM 1092 C PHE A 73 2.065 -0.997 -10.995 1.00 0.00 C ATOM 1093 O PHE A 73 2.177 -1.531 -9.892 1.00 0.00 O ATOM 1094 CB PHE A 73 2.550 1.448 -11.210 1.00 0.00 C ATOM 1095 CG PHE A 73 3.755 1.119 -10.377 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.817 1.495 -9.045 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.827 0.434 -10.926 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.924 1.193 -8.275 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.937 0.128 -10.161 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.986 0.510 -8.835 1.00 0.00 C ATOM 0 H PHE A 73 0.938 0.456 -9.100 1.00 0.00 H new ATOM 0 HA PHE A 73 0.860 0.418 -12.052 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.858 1.565 -12.249 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.146 2.408 -10.887 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.990 2.031 -8.603 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.795 0.136 -11.963 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.959 1.490 -7.237 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.765 -0.409 -10.600 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.854 0.275 -8.236 1.00 0.00 H new ATOM 1110 N ASP A 74 2.465 -1.575 -12.122 1.00 0.00 N ATOM 1111 CA ASP A 74 3.073 -2.900 -12.128 1.00 0.00 C ATOM 1112 C ASP A 74 4.594 -2.801 -12.064 1.00 0.00 C ATOM 1113 O ASP A 74 5.208 -1.911 -12.653 1.00 0.00 O ATOM 1114 CB ASP A 74 2.652 -3.671 -13.381 1.00 0.00 C ATOM 1115 CG ASP A 74 1.237 -4.207 -13.283 1.00 0.00 C ATOM 1116 OD1 ASP A 74 0.292 -3.435 -13.549 1.00 0.00 O ATOM 1117 OD2 ASP A 74 1.075 -5.396 -12.940 1.00 0.00 O ATOM 0 H ASP A 74 2.379 -1.146 -13.044 1.00 0.00 H new ATOM 0 HA ASP A 74 2.725 -3.437 -11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.730 -3.017 -14.250 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.341 -4.500 -13.543 1.00 0.00 H new