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 51 ASN : amide:sc= -2.05! C(o=-3.9!,f=-12!) USER MOD Set 1.2: A 53 GLN : amide:sc= -1.81 X(o=-3.9,f=-4) USER MOD Set 2.1: A 28 CYS SG : rot -136:sc= 0.994 USER MOD Set 2.2: A 30 TYR OH : rot -38:sc= 0.93 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.496 K(o=-0.5,f=-3.9!) 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+ 133:sc= -0.953 (180deg=-4.34!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -148:sc=-0.00904 (180deg=-0.0845) USER MOD Single : A 49 ASN : amide:sc= 0.346 K(o=0.35,f=-1.1) USER MOD Single : A 59 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.071) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 7:sc= 0.777! USER MOD Single : A 69 HIS : no HD1:sc= -5.75! K(o=-5.8!,f=-3) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N PRO A 16 1.555 -9.988 -3.343 1.00 0.00 N ATOM 177 CA PRO A 16 1.264 -8.676 -2.757 1.00 0.00 C ATOM 178 C PRO A 16 1.243 -7.566 -3.802 1.00 0.00 C ATOM 179 O PRO A 16 2.102 -7.514 -4.684 1.00 0.00 O ATOM 180 CB PRO A 16 2.416 -8.463 -1.773 1.00 0.00 C ATOM 181 CG PRO A 16 3.531 -9.292 -2.310 1.00 0.00 C ATOM 182 CD PRO A 16 2.885 -10.487 -2.955 1.00 0.00 C ATOM 0 HA PRO A 16 0.278 -8.647 -2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.697 -7.412 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.140 -8.776 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.122 -8.730 -3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.209 -9.598 -1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.452 -10.833 -3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.813 -11.327 -2.264 1.00 0.00 H new ATOM 190 N VAL A 17 0.259 -6.679 -3.698 1.00 0.00 N ATOM 191 CA VAL A 17 0.128 -5.569 -4.634 1.00 0.00 C ATOM 192 C VAL A 17 0.935 -4.362 -4.170 1.00 0.00 C ATOM 193 O VAL A 17 0.983 -4.053 -2.979 1.00 0.00 O ATOM 194 CB VAL A 17 -1.345 -5.151 -4.808 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.471 -4.067 -5.866 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.201 -6.357 -5.163 1.00 0.00 C ATOM 0 H VAL A 17 -0.460 -6.707 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 17 0.515 -5.916 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.704 -4.745 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.518 -3.785 -5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.890 -3.195 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.096 -4.442 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.238 -6.044 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.844 -6.795 -6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.135 -7.098 -4.366 1.00 0.00 H new ATOM 206 N PHE A 18 1.569 -3.680 -5.120 1.00 0.00 N ATOM 207 CA PHE A 18 2.376 -2.506 -4.809 1.00 0.00 C ATOM 208 C PHE A 18 1.748 -1.245 -5.395 1.00 0.00 C ATOM 209 O PHE A 18 1.303 -1.236 -6.543 1.00 0.00 O ATOM 210 CB PHE A 18 3.797 -2.680 -5.348 1.00 0.00 C ATOM 211 CG PHE A 18 4.699 -3.447 -4.423 1.00 0.00 C ATOM 212 CD1 PHE A 18 4.249 -4.593 -3.787 1.00 0.00 C ATOM 213 CD2 PHE A 18 5.997 -3.022 -4.191 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.076 -5.299 -2.935 1.00 0.00 C ATOM 215 CE2 PHE A 18 6.829 -3.725 -3.340 1.00 0.00 C ATOM 216 CZ PHE A 18 6.369 -4.866 -2.712 1.00 0.00 C ATOM 0 H PHE A 18 1.539 -3.921 -6.111 1.00 0.00 H new ATOM 0 HA PHE A 18 2.417 -2.401 -3.725 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.752 -3.194 -6.308 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.230 -1.697 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.240 -4.938 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.363 -2.132 -4.680 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.712 -6.189 -2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.838 -3.382 -3.166 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.018 -5.418 -2.049 1.00 0.00 H new ATOM 226 N ALA A 19 1.717 -0.181 -4.599 1.00 0.00 N ATOM 227 CA ALA A 19 1.146 1.086 -5.038 1.00 0.00 C ATOM 228 C ALA A 19 2.061 2.253 -4.684 1.00 0.00 C ATOM 229 O ALA A 19 2.441 2.428 -3.526 1.00 0.00 O ATOM 230 CB ALA A 19 -0.231 1.286 -4.422 1.00 0.00 C ATOM 0 H ALA A 19 2.081 -0.172 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 19 1.045 1.054 -6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.646 2.236 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.889 0.474 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.146 1.292 -3.335 1.00 0.00 H new ATOM 236 N LYS A 20 2.414 3.048 -5.688 1.00 0.00 N ATOM 237 CA LYS A 20 3.285 4.199 -5.483 1.00 0.00 C ATOM 238 C LYS A 20 2.489 5.403 -4.989 1.00 0.00 C ATOM 239 O LYS A 20 1.434 5.727 -5.534 1.00 0.00 O ATOM 240 CB LYS A 20 4.011 4.553 -6.783 1.00 0.00 C ATOM 241 CG LYS A 20 4.603 5.952 -6.788 1.00 0.00 C ATOM 242 CD LYS A 20 5.668 6.103 -7.861 1.00 0.00 C ATOM 243 CE LYS A 20 6.931 5.332 -7.506 1.00 0.00 C ATOM 244 NZ LYS A 20 8.013 5.549 -8.506 1.00 0.00 N ATOM 0 H LYS A 20 2.110 2.916 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 20 4.021 3.935 -4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.809 3.830 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.314 4.460 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.811 6.682 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.036 6.168 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.279 5.746 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.909 7.158 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.280 5.641 -6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.702 4.268 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.856 5.007 -8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.690 5.231 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.250 6.561 -8.547 1.00 0.00 H new ATOM 258 N ALA A 21 3.002 6.062 -3.956 1.00 0.00 N ATOM 259 CA ALA A 21 2.340 7.232 -3.391 1.00 0.00 C ATOM 260 C ALA A 21 2.581 8.467 -4.252 1.00 0.00 C ATOM 261 O ALA A 21 3.713 8.933 -4.384 1.00 0.00 O ATOM 262 CB ALA A 21 2.822 7.476 -1.969 1.00 0.00 C ATOM 0 H ALA A 21 3.874 5.806 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 21 1.268 7.038 -3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.319 8.352 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.594 6.606 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.899 7.644 -1.974 1.00 0.00 H new ATOM 268 N ILE A 22 1.509 8.993 -4.836 1.00 0.00 N ATOM 269 CA ILE A 22 1.605 10.175 -5.684 1.00 0.00 C ATOM 270 C ILE A 22 1.356 11.448 -4.883 1.00 0.00 C ATOM 271 O ILE A 22 1.799 12.530 -5.267 1.00 0.00 O ATOM 272 CB ILE A 22 0.603 10.112 -6.852 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.830 10.046 -6.320 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.899 8.914 -7.741 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.873 10.439 -7.343 1.00 0.00 C ATOM 0 H ILE A 22 0.565 8.620 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 22 2.618 10.194 -6.086 1.00 0.00 H new ATOM 0 HB ILE A 22 0.708 11.017 -7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.035 9.032 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.918 10.701 -5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.182 8.884 -8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.908 9.000 -8.144 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.819 7.998 -7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.865 10.369 -6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.694 11.463 -7.670 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.813 9.768 -8.200 1.00 0.00 H new ATOM 287 N GLN A 23 0.646 11.310 -3.768 1.00 0.00 N ATOM 288 CA GLN A 23 0.340 12.449 -2.912 1.00 0.00 C ATOM 289 C GLN A 23 0.777 12.184 -1.475 1.00 0.00 C ATOM 290 O GLN A 23 0.522 11.112 -0.925 1.00 0.00 O ATOM 291 CB GLN A 23 -1.158 12.757 -2.953 1.00 0.00 C ATOM 292 CG GLN A 23 -1.629 13.308 -4.289 1.00 0.00 C ATOM 293 CD GLN A 23 -1.267 14.768 -4.479 1.00 0.00 C ATOM 294 OE1 GLN A 23 -0.119 15.165 -4.282 1.00 0.00 O ATOM 295 NE2 GLN A 23 -2.248 15.576 -4.864 1.00 0.00 N ATOM 0 H GLN A 23 0.272 10.421 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 23 0.892 13.311 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.714 11.847 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.394 13.476 -2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.189 12.721 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.710 13.193 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.185 15.204 -5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.064 16.569 -5.008 1.00 0.00 H new ATOM 304 N LYS A 24 1.436 13.167 -0.871 1.00 0.00 N ATOM 305 CA LYS A 24 1.909 13.041 0.502 1.00 0.00 C ATOM 306 C LYS A 24 0.747 12.778 1.455 1.00 0.00 C ATOM 307 O LYS A 24 -0.330 13.357 1.311 1.00 0.00 O ATOM 308 CB LYS A 24 2.653 14.310 0.926 1.00 0.00 C ATOM 309 CG LYS A 24 3.705 14.070 1.994 1.00 0.00 C ATOM 310 CD LYS A 24 4.217 15.377 2.576 1.00 0.00 C ATOM 311 CE LYS A 24 3.296 15.899 3.668 1.00 0.00 C ATOM 312 NZ LYS A 24 3.949 16.960 4.484 1.00 0.00 N ATOM 0 H LYS A 24 1.655 14.061 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 24 2.593 12.194 0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.130 14.751 0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.931 15.038 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.283 13.457 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.537 13.510 1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.217 15.228 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.302 16.121 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.386 16.296 3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.997 15.075 4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.289 17.290 5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.803 16.575 4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.211 17.758 3.870 1.00 0.00 H new ATOM 326 N ARG A 25 0.974 11.903 2.430 1.00 0.00 N ATOM 327 CA ARG A 25 -0.055 11.565 3.407 1.00 0.00 C ATOM 328 C ARG A 25 0.329 12.067 4.796 1.00 0.00 C ATOM 329 O ARG A 25 1.405 11.754 5.305 1.00 0.00 O ATOM 330 CB ARG A 25 -0.276 10.051 3.442 1.00 0.00 C ATOM 331 CG ARG A 25 -1.339 9.568 2.470 1.00 0.00 C ATOM 332 CD ARG A 25 -2.734 9.962 2.930 1.00 0.00 C ATOM 333 NE ARG A 25 -3.172 9.179 4.083 1.00 0.00 N ATOM 334 CZ ARG A 25 -4.172 9.540 4.879 1.00 0.00 C ATOM 335 NH1 ARG A 25 -4.836 10.664 4.647 1.00 0.00 N ATOM 336 NH2 ARG A 25 -4.511 8.775 5.908 1.00 0.00 N ATOM 0 H ARG A 25 1.860 11.416 2.564 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.982 12.054 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.665 9.550 3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.559 9.757 4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.148 9.988 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.279 8.484 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.746 11.021 3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.438 9.824 2.110 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.683 8.308 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.579 11.254 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.604 10.939 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.004 7.909 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.279 9.053 6.519 1.00 0.00 H new ATOM 350 N VAL A 26 -0.559 12.847 5.403 1.00 0.00 N ATOM 351 CA VAL A 26 -0.314 13.392 6.733 1.00 0.00 C ATOM 352 C VAL A 26 -1.386 12.940 7.718 1.00 0.00 C ATOM 353 O VAL A 26 -2.440 13.561 7.855 1.00 0.00 O ATOM 354 CB VAL A 26 -0.271 14.932 6.710 1.00 0.00 C ATOM 355 CG1 VAL A 26 0.011 15.479 8.101 1.00 0.00 C ATOM 356 CG2 VAL A 26 0.771 15.420 5.714 1.00 0.00 C ATOM 0 H VAL A 26 -1.454 13.116 4.995 1.00 0.00 H new ATOM 0 HA VAL A 26 0.656 13.013 7.056 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.246 15.301 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.038 16.568 8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.775 15.158 8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.973 15.104 8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.788 16.510 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.753 15.042 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.519 15.058 4.717 1.00 0.00 H new ATOM 366 N PRO A 27 -1.113 11.831 8.423 1.00 0.00 N ATOM 367 CA PRO A 27 -2.041 11.271 9.409 1.00 0.00 C ATOM 368 C PRO A 27 -2.166 12.147 10.651 1.00 0.00 C ATOM 369 O PRO A 27 -1.274 12.939 10.955 1.00 0.00 O ATOM 370 CB PRO A 27 -1.408 9.924 9.767 1.00 0.00 C ATOM 371 CG PRO A 27 0.044 10.100 9.481 1.00 0.00 C ATOM 372 CD PRO A 27 0.124 11.040 8.311 1.00 0.00 C ATOM 0 HA PRO A 27 -3.054 11.191 9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.578 9.673 10.814 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.834 9.116 9.172 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.566 10.509 10.346 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.514 9.145 9.247 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.011 11.672 8.363 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.172 10.501 7.365 1.00 0.00 H new ATOM 380 N CYS A 28 -3.277 12.000 11.363 1.00 0.00 N ATOM 381 CA CYS A 28 -3.519 12.779 12.573 1.00 0.00 C ATOM 382 C CYS A 28 -2.803 12.161 13.769 1.00 0.00 C ATOM 383 O CYS A 28 -2.268 11.056 13.682 1.00 0.00 O ATOM 384 CB CYS A 28 -5.020 12.872 12.853 1.00 0.00 C ATOM 385 SG CYS A 28 -5.874 14.140 11.888 1.00 0.00 S ATOM 0 H CYS A 28 -4.025 11.349 11.124 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.124 13.783 12.415 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.478 11.904 12.647 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.169 13.076 13.913 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.686 14.799 12.660 1.00 0.00 H new ATOM 391 N ALA A 29 -2.797 12.883 14.885 1.00 0.00 N ATOM 392 CA ALA A 29 -2.147 12.405 16.100 1.00 0.00 C ATOM 393 C ALA A 29 -3.107 11.578 16.947 1.00 0.00 C ATOM 394 O ALA A 29 -2.691 10.666 17.663 1.00 0.00 O ATOM 395 CB ALA A 29 -1.606 13.578 16.904 1.00 0.00 C ATOM 0 H ALA A 29 -3.234 13.800 14.973 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.315 11.763 15.810 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.123 13.207 17.808 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.880 14.126 16.304 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.427 14.242 17.177 1.00 0.00 H new ATOM 401 N TYR A 30 -4.393 11.901 16.862 1.00 0.00 N ATOM 402 CA TYR A 30 -5.412 11.189 17.624 1.00 0.00 C ATOM 403 C TYR A 30 -5.847 9.920 16.898 1.00 0.00 C ATOM 404 O TYR A 30 -6.504 9.054 17.477 1.00 0.00 O ATOM 405 CB TYR A 30 -6.622 12.092 17.865 1.00 0.00 C ATOM 406 CG TYR A 30 -7.042 12.880 16.645 1.00 0.00 C ATOM 407 CD1 TYR A 30 -7.946 12.353 15.731 1.00 0.00 C ATOM 408 CD2 TYR A 30 -6.536 14.152 16.407 1.00 0.00 C ATOM 409 CE1 TYR A 30 -8.332 13.069 14.614 1.00 0.00 C ATOM 410 CE2 TYR A 30 -6.918 14.876 15.294 1.00 0.00 C ATOM 411 CZ TYR A 30 -7.816 14.330 14.400 1.00 0.00 C ATOM 412 OH TYR A 30 -8.198 15.047 13.290 1.00 0.00 O ATOM 0 H TYR A 30 -4.754 12.651 16.273 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.981 10.907 18.584 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.460 11.481 18.199 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.392 12.786 18.674 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.354 11.367 15.896 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.832 14.582 17.104 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.034 12.643 13.912 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.516 15.864 15.125 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.288 14.442 12.525 1.00 0.00 H new ATOM 422 N ASP A 31 -5.475 9.816 15.627 1.00 0.00 N ATOM 423 CA ASP A 31 -5.825 8.653 14.820 1.00 0.00 C ATOM 424 C ASP A 31 -4.725 7.597 14.883 1.00 0.00 C ATOM 425 O ASP A 31 -4.997 6.411 15.069 1.00 0.00 O ATOM 426 CB ASP A 31 -6.069 9.067 13.368 1.00 0.00 C ATOM 427 CG ASP A 31 -7.487 9.552 13.135 1.00 0.00 C ATOM 428 OD1 ASP A 31 -8.427 8.892 13.625 1.00 0.00 O ATOM 429 OD2 ASP A 31 -7.656 10.591 12.463 1.00 0.00 O ATOM 0 H ASP A 31 -4.931 10.523 15.133 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.741 8.223 15.225 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.369 9.857 13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.865 8.220 12.713 1.00 0.00 H new ATOM 434 N LYS A 32 -3.481 8.037 14.725 1.00 0.00 N ATOM 435 CA LYS A 32 -2.338 7.132 14.764 1.00 0.00 C ATOM 436 C LYS A 32 -2.661 5.818 14.059 1.00 0.00 C ATOM 437 O LYS A 32 -2.087 4.775 14.373 1.00 0.00 O ATOM 438 CB LYS A 32 -1.927 6.858 16.212 1.00 0.00 C ATOM 439 CG LYS A 32 -1.047 7.942 16.810 1.00 0.00 C ATOM 440 CD LYS A 32 -0.401 7.484 18.106 1.00 0.00 C ATOM 441 CE LYS A 32 0.303 8.632 18.814 1.00 0.00 C ATOM 442 NZ LYS A 32 1.539 9.051 18.096 1.00 0.00 N ATOM 0 H LYS A 32 -3.239 9.015 14.569 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.509 7.611 14.242 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.824 6.753 16.822 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.398 5.906 16.257 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.273 8.219 16.095 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.644 8.835 16.996 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.161 7.061 18.763 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.316 6.690 17.896 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.376 9.481 18.894 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.558 8.331 19.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.990 9.835 18.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.198 8.248 18.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.293 9.363 17.135 1.00 0.00 H new ATOM 456 N THR A 33 -3.583 5.875 13.103 1.00 0.00 N ATOM 457 CA THR A 33 -3.981 4.691 12.353 1.00 0.00 C ATOM 458 C THR A 33 -3.607 4.820 10.881 1.00 0.00 C ATOM 459 O THR A 33 -3.340 3.824 10.209 1.00 0.00 O ATOM 460 CB THR A 33 -5.497 4.438 12.465 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.210 5.673 12.334 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.840 3.788 13.797 1.00 0.00 C ATOM 0 H THR A 33 -4.068 6.730 12.830 1.00 0.00 H new ATOM 0 HA THR A 33 -3.446 3.847 12.788 1.00 0.00 H new ATOM 0 HB THR A 33 -5.791 3.762 11.662 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.173 5.504 12.405 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.915 3.619 13.853 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.318 2.835 13.882 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.533 4.444 14.612 1.00 0.00 H new ATOM 470 N ALA A 34 -3.588 6.053 10.386 1.00 0.00 N ATOM 471 CA ALA A 34 -3.243 6.312 8.994 1.00 0.00 C ATOM 472 C ALA A 34 -1.735 6.244 8.780 1.00 0.00 C ATOM 473 O ALA A 34 -0.958 6.738 9.598 1.00 0.00 O ATOM 474 CB ALA A 34 -3.778 7.669 8.561 1.00 0.00 C ATOM 0 H ALA A 34 -3.808 6.888 10.929 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.706 5.538 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.513 7.849 7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.863 7.683 8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.342 8.448 9.186 1.00 0.00 H new ATOM 480 N LEU A 35 -1.326 5.627 7.676 1.00 0.00 N ATOM 481 CA LEU A 35 0.091 5.493 7.355 1.00 0.00 C ATOM 482 C LEU A 35 0.623 6.764 6.700 1.00 0.00 C ATOM 483 O LEU A 35 -0.061 7.391 5.892 1.00 0.00 O ATOM 484 CB LEU A 35 0.313 4.297 6.428 1.00 0.00 C ATOM 485 CG LEU A 35 1.664 3.592 6.555 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.619 2.228 5.884 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.770 4.448 5.954 1.00 0.00 C ATOM 0 H LEU A 35 -1.955 5.212 6.989 1.00 0.00 H new ATOM 0 HA LEU A 35 0.635 5.330 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.474 3.567 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.197 4.634 5.398 1.00 0.00 H new ATOM 0 HG LEU A 35 1.879 3.446 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.589 1.741 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.854 1.614 6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.382 2.350 4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.725 3.931 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.561 4.625 4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.818 5.402 6.479 1.00 0.00 H new ATOM 499 N ALA A 36 1.849 7.137 7.053 1.00 0.00 N ATOM 500 CA ALA A 36 2.475 8.330 6.497 1.00 0.00 C ATOM 501 C ALA A 36 3.391 7.976 5.330 1.00 0.00 C ATOM 502 O ALA A 36 4.213 7.064 5.428 1.00 0.00 O ATOM 503 CB ALA A 36 3.253 9.070 7.575 1.00 0.00 C ATOM 0 H ALA A 36 2.428 6.630 7.722 1.00 0.00 H new ATOM 0 HA ALA A 36 1.686 8.982 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.715 9.959 7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.575 9.365 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.027 8.417 7.978 1.00 0.00 H new ATOM 509 N LEU A 37 3.243 8.701 4.227 1.00 0.00 N ATOM 510 CA LEU A 37 4.057 8.463 3.040 1.00 0.00 C ATOM 511 C LEU A 37 4.526 9.780 2.429 1.00 0.00 C ATOM 512 O LEU A 37 3.983 10.842 2.729 1.00 0.00 O ATOM 513 CB LEU A 37 3.265 7.661 2.007 1.00 0.00 C ATOM 514 CG LEU A 37 2.596 6.385 2.517 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.330 6.093 1.726 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.559 5.209 2.438 1.00 0.00 C ATOM 0 H LEU A 37 2.567 9.459 4.130 1.00 0.00 H new ATOM 0 HA LEU A 37 4.935 7.890 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.495 8.308 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.937 7.394 1.191 1.00 0.00 H new ATOM 0 HG LEU A 37 2.321 6.535 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.867 5.181 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.634 6.925 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.580 5.964 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.065 4.309 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.865 5.058 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.437 5.416 3.049 1.00 0.00 H new ATOM 528 N GLU A 38 5.537 9.700 1.569 1.00 0.00 N ATOM 529 CA GLU A 38 6.077 10.886 0.915 1.00 0.00 C ATOM 530 C GLU A 38 6.049 10.730 -0.603 1.00 0.00 C ATOM 531 O GLU A 38 6.459 9.701 -1.141 1.00 0.00 O ATOM 532 CB GLU A 38 7.510 11.147 1.385 1.00 0.00 C ATOM 533 CG GLU A 38 7.591 11.977 2.655 1.00 0.00 C ATOM 534 CD GLU A 38 8.999 12.051 3.215 1.00 0.00 C ATOM 535 OE1 GLU A 38 9.956 12.046 2.413 1.00 0.00 O ATOM 536 OE2 GLU A 38 9.143 12.112 4.453 1.00 0.00 O ATOM 0 H GLU A 38 5.998 8.828 1.310 1.00 0.00 H new ATOM 0 HA GLU A 38 5.452 11.736 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.008 10.192 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.057 11.657 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.232 12.986 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.927 11.550 3.407 1.00 0.00 H new ATOM 543 N VAL A 39 5.562 11.759 -1.289 1.00 0.00 N ATOM 544 CA VAL A 39 5.480 11.738 -2.745 1.00 0.00 C ATOM 545 C VAL A 39 6.671 11.005 -3.351 1.00 0.00 C ATOM 546 O VAL A 39 7.791 11.514 -3.355 1.00 0.00 O ATOM 547 CB VAL A 39 5.419 13.163 -3.324 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.407 13.122 -4.845 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.200 13.902 -2.793 1.00 0.00 C ATOM 0 H VAL A 39 5.218 12.618 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 39 4.562 11.210 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 39 6.310 13.704 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.364 14.139 -5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.313 12.634 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.535 12.564 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.173 14.908 -3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.296 13.365 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.257 13.964 -1.706 1.00 0.00 H new ATOM 559 N GLY A 40 6.421 9.804 -3.865 1.00 0.00 N ATOM 560 CA GLY A 40 7.483 9.020 -4.468 1.00 0.00 C ATOM 561 C GLY A 40 7.941 7.882 -3.577 1.00 0.00 C ATOM 562 O GLY A 40 9.138 7.623 -3.455 1.00 0.00 O ATOM 0 H GLY A 40 5.502 9.361 -3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.137 8.616 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.330 9.670 -4.687 1.00 0.00 H new ATOM 566 N ASP A 41 6.986 7.201 -2.953 1.00 0.00 N ATOM 567 CA ASP A 41 7.298 6.084 -2.068 1.00 0.00 C ATOM 568 C ASP A 41 6.488 4.848 -2.447 1.00 0.00 C ATOM 569 O ASP A 41 5.309 4.947 -2.787 1.00 0.00 O ATOM 570 CB ASP A 41 7.019 6.466 -0.613 1.00 0.00 C ATOM 571 CG ASP A 41 7.919 5.731 0.361 1.00 0.00 C ATOM 572 OD1 ASP A 41 7.909 4.483 0.352 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.634 6.405 1.132 1.00 0.00 O ATOM 0 H ASP A 41 5.990 7.402 -3.043 1.00 0.00 H new ATOM 0 HA ASP A 41 8.357 5.850 -2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.156 7.540 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.978 6.248 -0.376 1.00 0.00 H new ATOM 578 N ILE A 42 7.129 3.686 -2.387 1.00 0.00 N ATOM 579 CA ILE A 42 6.468 2.431 -2.724 1.00 0.00 C ATOM 580 C ILE A 42 5.685 1.886 -1.535 1.00 0.00 C ATOM 581 O ILE A 42 6.254 1.597 -0.483 1.00 0.00 O ATOM 582 CB ILE A 42 7.482 1.368 -3.188 1.00 0.00 C ATOM 583 CG1 ILE A 42 8.196 1.833 -4.459 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.783 0.037 -3.423 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.327 1.775 -5.696 1.00 0.00 C ATOM 0 H ILE A 42 8.105 3.587 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 42 5.780 2.646 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 42 8.228 1.232 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.544 2.856 -4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.080 1.215 -4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.512 -0.704 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.317 -0.298 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.019 0.158 -4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.898 2.119 -6.558 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.000 0.749 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.456 2.416 -5.559 1.00 0.00 H new ATOM 597 N VAL A 43 4.374 1.747 -1.711 1.00 0.00 N ATOM 598 CA VAL A 43 3.512 1.233 -0.653 1.00 0.00 C ATOM 599 C VAL A 43 3.171 -0.234 -0.887 1.00 0.00 C ATOM 600 O VAL A 43 2.434 -0.572 -1.814 1.00 0.00 O ATOM 601 CB VAL A 43 2.205 2.043 -0.552 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.444 1.672 0.712 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.500 3.535 -0.589 1.00 0.00 C ATOM 0 H VAL A 43 3.887 1.983 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 43 4.064 1.330 0.282 1.00 0.00 H new ATOM 0 HB VAL A 43 1.578 1.799 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.524 2.254 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.201 0.610 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.061 1.886 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.566 4.092 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.146 3.799 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.000 3.784 -1.525 1.00 0.00 H new ATOM 613 N LYS A 44 3.711 -1.103 -0.039 1.00 0.00 N ATOM 614 CA LYS A 44 3.463 -2.536 -0.150 1.00 0.00 C ATOM 615 C LYS A 44 2.273 -2.951 0.710 1.00 0.00 C ATOM 616 O LYS A 44 2.355 -2.958 1.938 1.00 0.00 O ATOM 617 CB LYS A 44 4.707 -3.323 0.267 1.00 0.00 C ATOM 618 CG LYS A 44 4.577 -4.822 0.057 1.00 0.00 C ATOM 619 CD LYS A 44 3.965 -5.504 1.269 1.00 0.00 C ATOM 620 CE LYS A 44 4.397 -6.959 1.367 1.00 0.00 C ATOM 621 NZ LYS A 44 4.330 -7.465 2.766 1.00 0.00 N ATOM 0 H LYS A 44 4.323 -0.840 0.733 1.00 0.00 H new ATOM 0 HA LYS A 44 3.231 -2.760 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.564 -2.958 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.914 -3.129 1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.960 -5.015 -0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.560 -5.249 -0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.261 -4.974 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.878 -5.449 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.759 -7.571 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.415 -7.061 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.854 -8.389 2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.293 -7.567 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.796 -6.793 3.353 1.00 0.00 H new ATOM 635 N VAL A 45 1.169 -3.297 0.057 1.00 0.00 N ATOM 636 CA VAL A 45 -0.037 -3.715 0.762 1.00 0.00 C ATOM 637 C VAL A 45 -0.284 -5.210 0.588 1.00 0.00 C ATOM 638 O VAL A 45 -0.216 -5.737 -0.523 1.00 0.00 O ATOM 639 CB VAL A 45 -1.273 -2.941 0.268 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.251 -2.809 -1.247 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.550 -3.625 0.732 1.00 0.00 C ATOM 0 H VAL A 45 1.084 -3.296 -0.959 1.00 0.00 H new ATOM 0 HA VAL A 45 0.121 -3.496 1.818 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.247 -1.939 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.132 -2.259 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.353 -2.272 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.252 -3.801 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.414 -3.065 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.585 -4.639 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.568 -3.662 1.821 1.00 0.00 H new ATOM 651 N THR A 46 -0.572 -5.889 1.694 1.00 0.00 N ATOM 652 CA THR A 46 -0.829 -7.323 1.665 1.00 0.00 C ATOM 653 C THR A 46 -2.322 -7.616 1.748 1.00 0.00 C ATOM 654 O THR A 46 -2.785 -8.665 1.298 1.00 0.00 O ATOM 655 CB THR A 46 -0.110 -8.046 2.820 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.717 -7.696 4.069 1.00 0.00 O ATOM 657 CG2 THR A 46 1.367 -7.684 2.850 1.00 0.00 C ATOM 0 H THR A 46 -0.633 -5.468 2.621 1.00 0.00 H new ATOM 0 HA THR A 46 -0.441 -7.694 0.716 1.00 0.00 H new ATOM 0 HB THR A 46 -0.201 -9.120 2.659 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.256 -8.161 4.798 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.853 -8.207 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.833 -7.977 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.475 -6.608 2.989 1.00 0.00 H new ATOM 665 N ARG A 47 -3.072 -6.683 2.326 1.00 0.00 N ATOM 666 CA ARG A 47 -4.514 -6.842 2.468 1.00 0.00 C ATOM 667 C ARG A 47 -5.252 -5.619 1.931 1.00 0.00 C ATOM 668 O ARG A 47 -4.981 -4.490 2.340 1.00 0.00 O ATOM 669 CB ARG A 47 -4.882 -7.070 3.935 1.00 0.00 C ATOM 670 CG ARG A 47 -4.795 -8.525 4.366 1.00 0.00 C ATOM 671 CD ARG A 47 -6.016 -9.312 3.919 1.00 0.00 C ATOM 672 NE ARG A 47 -7.140 -9.147 4.837 1.00 0.00 N ATOM 673 CZ ARG A 47 -8.244 -9.884 4.787 1.00 0.00 C ATOM 674 NH1 ARG A 47 -8.372 -10.832 3.868 1.00 0.00 N ATOM 675 NH2 ARG A 47 -9.224 -9.674 5.657 1.00 0.00 N ATOM 0 H ARG A 47 -2.705 -5.809 2.703 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.817 -7.712 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.221 -6.474 4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.896 -6.709 4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.896 -8.977 3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.703 -8.579 5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.312 -8.987 2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.759 -10.369 3.846 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.074 -8.426 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.621 -10.997 3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.221 -11.396 3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.130 -8.946 6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.071 -10.241 5.617 1.00 0.00 H new ATOM 689 N MET A 48 -6.184 -5.852 1.013 1.00 0.00 N ATOM 690 CA MET A 48 -6.961 -4.768 0.422 1.00 0.00 C ATOM 691 C MET A 48 -8.402 -4.796 0.923 1.00 0.00 C ATOM 692 O MET A 48 -9.084 -5.815 0.822 1.00 0.00 O ATOM 693 CB MET A 48 -6.937 -4.870 -1.105 1.00 0.00 C ATOM 694 CG MET A 48 -5.576 -4.575 -1.712 1.00 0.00 C ATOM 695 SD MET A 48 -5.269 -2.809 -1.905 1.00 0.00 S ATOM 696 CE MET A 48 -4.294 -2.797 -3.408 1.00 0.00 C ATOM 0 H MET A 48 -6.420 -6.780 0.662 1.00 0.00 H new ATOM 0 HA MET A 48 -6.509 -3.823 0.723 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.247 -5.873 -1.399 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.668 -4.176 -1.519 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.800 -5.008 -1.081 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.504 -5.061 -2.685 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.581 -1.973 -3.373 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.755 -3.740 -3.500 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.952 -2.670 -4.268 1.00 0.00 H new ATOM 706 N ASN A 49 -8.857 -3.670 1.462 1.00 0.00 N ATOM 707 CA ASN A 49 -10.217 -3.566 1.979 1.00 0.00 C ATOM 708 C ASN A 49 -11.182 -3.115 0.887 1.00 0.00 C ATOM 709 O ASN A 49 -10.763 -2.607 -0.154 1.00 0.00 O ATOM 710 CB ASN A 49 -10.265 -2.586 3.154 1.00 0.00 C ATOM 711 CG ASN A 49 -9.403 -3.037 4.318 1.00 0.00 C ATOM 712 OD1 ASN A 49 -9.210 -4.233 4.535 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.882 -2.078 5.074 1.00 0.00 N ATOM 0 H ASN A 49 -8.305 -2.817 1.552 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.524 -4.553 2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.933 -1.604 2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.296 -2.476 3.490 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.295 -2.320 5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.069 -1.099 4.857 1.00 0.00 H new ATOM 720 N ILE A 50 -12.474 -3.303 1.131 1.00 0.00 N ATOM 721 CA ILE A 50 -13.498 -2.914 0.170 1.00 0.00 C ATOM 722 C ILE A 50 -13.976 -1.488 0.422 1.00 0.00 C ATOM 723 O ILE A 50 -14.534 -0.844 -0.465 1.00 0.00 O ATOM 724 CB ILE A 50 -14.708 -3.865 0.220 1.00 0.00 C ATOM 725 CG1 ILE A 50 -15.545 -3.728 -1.054 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.555 -3.581 1.451 1.00 0.00 C ATOM 727 CD1 ILE A 50 -14.801 -4.117 -2.311 1.00 0.00 C ATOM 0 H ILE A 50 -12.837 -3.723 1.987 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.041 -2.972 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.343 -4.890 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.436 -4.349 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.884 -2.696 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.406 -4.261 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.953 -3.725 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.914 -2.552 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.456 -3.995 -3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.925 -3.479 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -14.485 -5.158 -2.240 1.00 0.00 H new ATOM 739 N ASN A 51 -13.751 -1.001 1.638 1.00 0.00 N ATOM 740 CA ASN A 51 -14.158 0.350 2.008 1.00 0.00 C ATOM 741 C ASN A 51 -13.372 1.390 1.216 1.00 0.00 C ATOM 742 O ASN A 51 -13.947 2.315 0.644 1.00 0.00 O ATOM 743 CB ASN A 51 -13.954 0.574 3.508 1.00 0.00 C ATOM 744 CG ASN A 51 -12.565 1.087 3.833 1.00 0.00 C ATOM 745 OD1 ASN A 51 -11.563 0.464 3.482 1.00 0.00 O ATOM 746 ND2 ASN A 51 -12.499 2.230 4.507 1.00 0.00 N ATOM 0 H ASN A 51 -13.289 -1.521 2.384 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.216 0.462 1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.695 1.286 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.126 -0.362 4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.591 2.625 4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.356 2.713 4.778 1.00 0.00 H new ATOM 753 N GLY A 52 -12.052 1.232 1.188 1.00 0.00 N ATOM 754 CA GLY A 52 -11.208 2.164 0.463 1.00 0.00 C ATOM 755 C GLY A 52 -9.787 2.190 0.990 1.00 0.00 C ATOM 756 O GLY A 52 -8.831 2.198 0.215 1.00 0.00 O ATOM 0 H GLY A 52 -11.552 0.475 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.196 1.893 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.636 3.164 0.530 1.00 0.00 H new ATOM 760 N GLN A 53 -9.648 2.205 2.312 1.00 0.00 N ATOM 761 CA GLN A 53 -8.333 2.233 2.941 1.00 0.00 C ATOM 762 C GLN A 53 -7.732 0.833 3.010 1.00 0.00 C ATOM 763 O GLN A 53 -8.387 -0.113 3.446 1.00 0.00 O ATOM 764 CB GLN A 53 -8.430 2.829 4.347 1.00 0.00 C ATOM 765 CG GLN A 53 -9.165 1.938 5.336 1.00 0.00 C ATOM 766 CD GLN A 53 -9.849 2.728 6.435 1.00 0.00 C ATOM 767 OE1 GLN A 53 -10.871 2.303 6.976 1.00 0.00 O ATOM 768 NE2 GLN A 53 -9.288 3.883 6.771 1.00 0.00 N ATOM 0 H GLN A 53 -10.429 2.198 2.968 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.680 2.859 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.424 3.021 4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.938 3.792 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.908 1.345 4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.459 1.237 5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.441 4.196 6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.704 4.458 7.504 1.00 0.00 H new ATOM 777 N TRP A 54 -6.483 0.709 2.575 1.00 0.00 N ATOM 778 CA TRP A 54 -5.794 -0.576 2.587 1.00 0.00 C ATOM 779 C TRP A 54 -4.769 -0.634 3.714 1.00 0.00 C ATOM 780 O TRP A 54 -4.522 0.363 4.391 1.00 0.00 O ATOM 781 CB TRP A 54 -5.108 -0.823 1.243 1.00 0.00 C ATOM 782 CG TRP A 54 -5.944 -0.419 0.066 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.302 -0.512 -0.045 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.476 0.139 -1.167 1.00 0.00 C ATOM 785 NE1 TRP A 54 -7.706 -0.045 -1.272 1.00 0.00 N ATOM 786 CE2 TRP A 54 -6.605 0.361 -1.979 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.213 0.475 -1.662 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -6.507 0.902 -3.258 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.118 1.012 -2.932 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.259 1.222 -3.718 1.00 0.00 C ATOM 0 H TRP A 54 -5.927 1.482 2.210 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.536 -1.356 2.756 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.167 -0.273 1.217 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.861 -1.881 1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.961 -0.896 0.719 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -8.670 -0.007 -1.603 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.328 0.318 -1.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.385 1.063 -3.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.147 1.274 -3.326 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.151 1.645 -4.706 1.00 0.00 H new ATOM 801 N GLU A 55 -4.174 -1.807 3.908 1.00 0.00 N ATOM 802 CA GLU A 55 -3.175 -1.993 4.954 1.00 0.00 C ATOM 803 C GLU A 55 -1.813 -2.325 4.352 1.00 0.00 C ATOM 804 O GLU A 55 -1.613 -3.406 3.799 1.00 0.00 O ATOM 805 CB GLU A 55 -3.608 -3.105 5.911 1.00 0.00 C ATOM 806 CG GLU A 55 -2.834 -3.118 7.218 1.00 0.00 C ATOM 807 CD GLU A 55 -3.148 -4.333 8.070 1.00 0.00 C ATOM 808 OE1 GLU A 55 -3.566 -5.363 7.502 1.00 0.00 O ATOM 809 OE2 GLU A 55 -2.975 -4.253 9.304 1.00 0.00 O ATOM 0 H GLU A 55 -4.366 -2.642 3.355 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.089 -1.059 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.670 -2.993 6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.484 -4.068 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.766 -3.096 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.065 -2.214 7.782 1.00 0.00 H new ATOM 816 N GLY A 56 -0.877 -1.387 4.465 1.00 0.00 N ATOM 817 CA GLY A 56 0.454 -1.598 3.927 1.00 0.00 C ATOM 818 C GLY A 56 1.543 -1.187 4.898 1.00 0.00 C ATOM 819 O GLY A 56 1.277 -0.500 5.883 1.00 0.00 O ATOM 0 H GLY A 56 -1.017 -0.485 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.577 -2.651 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.563 -1.031 3.002 1.00 0.00 H new ATOM 823 N GLU A 57 2.772 -1.609 4.619 1.00 0.00 N ATOM 824 CA GLU A 57 3.905 -1.281 5.477 1.00 0.00 C ATOM 825 C GLU A 57 4.963 -0.498 4.706 1.00 0.00 C ATOM 826 O GLU A 57 5.450 -0.946 3.668 1.00 0.00 O ATOM 827 CB GLU A 57 4.520 -2.557 6.057 1.00 0.00 C ATOM 828 CG GLU A 57 5.690 -2.298 6.990 1.00 0.00 C ATOM 829 CD GLU A 57 7.017 -2.229 6.258 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.356 -1.140 5.749 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.714 -3.262 6.194 1.00 0.00 O ATOM 0 H GLU A 57 3.009 -2.178 3.806 1.00 0.00 H new ATOM 0 HA GLU A 57 3.541 -0.658 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.750 -3.108 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.853 -3.195 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.524 -1.362 7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.734 -3.088 7.740 1.00 0.00 H new ATOM 838 N VAL A 58 5.315 0.676 5.222 1.00 0.00 N ATOM 839 CA VAL A 58 6.315 1.523 4.583 1.00 0.00 C ATOM 840 C VAL A 58 7.162 2.251 5.621 1.00 0.00 C ATOM 841 O VAL A 58 6.634 2.896 6.525 1.00 0.00 O ATOM 842 CB VAL A 58 5.661 2.560 3.651 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.701 3.538 3.126 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.943 1.866 2.504 1.00 0.00 C ATOM 0 H VAL A 58 4.922 1.062 6.081 1.00 0.00 H new ATOM 0 HA VAL A 58 6.954 0.867 3.992 1.00 0.00 H new ATOM 0 HB VAL A 58 4.924 3.124 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.220 4.263 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.166 4.059 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.464 2.994 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.487 2.613 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.658 1.276 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.169 1.210 2.903 1.00 0.00 H new ATOM 854 N ASN A 59 8.480 2.143 5.483 1.00 0.00 N ATOM 855 CA ASN A 59 9.401 2.791 6.409 1.00 0.00 C ATOM 856 C ASN A 59 9.183 2.290 7.833 1.00 0.00 C ATOM 857 O ASN A 59 9.271 3.056 8.792 1.00 0.00 O ATOM 858 CB ASN A 59 9.223 4.310 6.358 1.00 0.00 C ATOM 859 CG ASN A 59 9.931 4.935 5.171 1.00 0.00 C ATOM 860 OD1 ASN A 59 11.144 4.797 5.014 1.00 0.00 O ATOM 861 ND2 ASN A 59 9.173 5.628 4.329 1.00 0.00 N ATOM 0 H ASN A 59 8.933 1.613 4.739 1.00 0.00 H new ATOM 0 HA ASN A 59 10.418 2.540 6.106 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.160 4.547 6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.606 4.749 7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.593 6.072 3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.171 5.716 4.499 1.00 0.00 H new ATOM 868 N GLY A 60 8.898 0.998 7.964 1.00 0.00 N ATOM 869 CA GLY A 60 8.672 0.417 9.274 1.00 0.00 C ATOM 870 C GLY A 60 7.390 0.910 9.914 1.00 0.00 C ATOM 871 O GLY A 60 7.202 0.780 11.124 1.00 0.00 O ATOM 0 H GLY A 60 8.820 0.343 7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.636 -0.669 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.514 0.656 9.924 1.00 0.00 H new ATOM 875 N ARG A 61 6.506 1.480 9.102 1.00 0.00 N ATOM 876 CA ARG A 61 5.236 1.998 9.597 1.00 0.00 C ATOM 877 C ARG A 61 4.062 1.292 8.925 1.00 0.00 C ATOM 878 O ARG A 61 4.032 1.138 7.704 1.00 0.00 O ATOM 879 CB ARG A 61 5.145 3.505 9.353 1.00 0.00 C ATOM 880 CG ARG A 61 5.775 4.340 10.456 1.00 0.00 C ATOM 881 CD ARG A 61 7.274 4.490 10.255 1.00 0.00 C ATOM 882 NE ARG A 61 7.786 5.722 10.849 1.00 0.00 N ATOM 883 CZ ARG A 61 7.772 6.898 10.231 1.00 0.00 C ATOM 884 NH1 ARG A 61 7.276 7.000 9.006 1.00 0.00 N ATOM 885 NH2 ARG A 61 8.256 7.974 10.838 1.00 0.00 N ATOM 0 H ARG A 61 6.646 1.595 8.098 1.00 0.00 H new ATOM 0 HA ARG A 61 5.188 1.807 10.669 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.632 3.741 8.407 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.097 3.785 9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.310 5.325 10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.581 3.874 11.422 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.786 3.635 10.696 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.499 4.481 9.189 1.00 0.00 H new ATOM 0 HE ARG A 61 8.176 5.677 11.790 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.904 6.175 8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.266 7.904 8.533 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.639 7.899 11.780 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.245 8.876 10.362 1.00 0.00 H new ATOM 899 N LYS A 62 3.096 0.864 9.731 1.00 0.00 N ATOM 900 CA LYS A 62 1.919 0.175 9.216 1.00 0.00 C ATOM 901 C LYS A 62 0.645 0.936 9.569 1.00 0.00 C ATOM 902 O LYS A 62 0.281 1.048 10.739 1.00 0.00 O ATOM 903 CB LYS A 62 1.848 -1.247 9.778 1.00 0.00 C ATOM 904 CG LYS A 62 2.928 -2.169 9.237 1.00 0.00 C ATOM 905 CD LYS A 62 2.586 -3.630 9.477 1.00 0.00 C ATOM 906 CE LYS A 62 1.765 -4.205 8.333 1.00 0.00 C ATOM 907 NZ LYS A 62 1.135 -5.503 8.701 1.00 0.00 N ATOM 0 H LYS A 62 3.105 0.982 10.744 1.00 0.00 H new ATOM 0 HA LYS A 62 2.004 0.127 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.929 -1.204 10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.871 -1.671 9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.055 -1.995 8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.880 -1.934 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.504 -4.206 9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.030 -3.726 10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.990 -3.493 8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.405 -4.346 7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.584 -5.862 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.875 -6.190 8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.505 -5.364 9.517 1.00 0.00 H new ATOM 921 N GLY A 63 -0.031 1.456 8.549 1.00 0.00 N ATOM 922 CA GLY A 63 -1.258 2.198 8.773 1.00 0.00 C ATOM 923 C GLY A 63 -2.196 2.140 7.584 1.00 0.00 C ATOM 924 O GLY A 63 -1.814 1.687 6.504 1.00 0.00 O ATOM 0 H GLY A 63 0.249 1.377 7.571 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.765 1.799 9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.015 3.238 8.990 1.00 0.00 H new ATOM 928 N LEU A 64 -3.427 2.598 7.781 1.00 0.00 N ATOM 929 CA LEU A 64 -4.424 2.596 6.716 1.00 0.00 C ATOM 930 C LEU A 64 -4.293 3.840 5.844 1.00 0.00 C ATOM 931 O LEU A 64 -4.392 4.966 6.331 1.00 0.00 O ATOM 932 CB LEU A 64 -5.832 2.521 7.309 1.00 0.00 C ATOM 933 CG LEU A 64 -6.104 1.344 8.247 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.478 1.476 8.884 1.00 0.00 C ATOM 935 CD2 LEU A 64 -5.985 0.025 7.497 1.00 0.00 C ATOM 0 H LEU A 64 -3.759 2.976 8.668 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.251 1.719 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.025 3.445 7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.548 2.479 6.488 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.356 1.356 9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.654 0.630 9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.526 2.402 9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.240 1.491 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.182 -0.801 8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.709 0.003 6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.979 -0.073 7.090 1.00 0.00 H new ATOM 947 N PHE A 65 -4.071 3.629 4.550 1.00 0.00 N ATOM 948 CA PHE A 65 -3.928 4.734 3.609 1.00 0.00 C ATOM 949 C PHE A 65 -4.982 4.651 2.509 1.00 0.00 C ATOM 950 O PHE A 65 -5.357 3.571 2.054 1.00 0.00 O ATOM 951 CB PHE A 65 -2.528 4.727 2.992 1.00 0.00 C ATOM 952 CG PHE A 65 -2.256 3.522 2.137 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.820 2.337 2.706 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.435 3.576 0.764 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.569 1.226 1.922 1.00 0.00 C ATOM 956 CE2 PHE A 65 -2.186 2.468 -0.025 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.751 1.293 0.555 1.00 0.00 C ATOM 0 H PHE A 65 -3.986 2.703 4.130 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.072 5.666 4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.401 5.626 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.787 4.771 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.674 2.280 3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.773 4.493 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.231 0.307 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.332 2.522 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.553 0.427 -0.060 1.00 0.00 H new ATOM 967 N PRO A 66 -5.471 5.820 2.071 1.00 0.00 N ATOM 968 CA PRO A 66 -6.489 5.908 1.019 1.00 0.00 C ATOM 969 C PRO A 66 -5.944 5.512 -0.349 1.00 0.00 C ATOM 970 O PRO A 66 -4.735 5.543 -0.580 1.00 0.00 O ATOM 971 CB PRO A 66 -6.883 7.387 1.029 1.00 0.00 C ATOM 972 CG PRO A 66 -5.692 8.093 1.578 1.00 0.00 C ATOM 973 CD PRO A 66 -5.069 7.147 2.568 1.00 0.00 C ATOM 0 HA PRO A 66 -7.322 5.229 1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.124 7.739 0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.764 7.558 1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.989 8.346 0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.980 9.028 2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.985 7.253 2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.435 7.325 3.579 1.00 0.00 H new ATOM 981 N PHE A 67 -6.843 5.139 -1.254 1.00 0.00 N ATOM 982 CA PHE A 67 -6.452 4.736 -2.600 1.00 0.00 C ATOM 983 C PHE A 67 -6.386 5.942 -3.531 1.00 0.00 C ATOM 984 O PHE A 67 -5.573 5.985 -4.455 1.00 0.00 O ATOM 985 CB PHE A 67 -7.437 3.703 -3.152 1.00 0.00 C ATOM 986 CG PHE A 67 -8.693 4.311 -3.708 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.686 4.777 -2.862 1.00 0.00 C ATOM 988 CD2 PHE A 67 -8.881 4.415 -5.077 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.843 5.337 -3.370 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.035 4.974 -5.591 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.018 5.435 -4.737 1.00 0.00 C ATOM 0 H PHE A 67 -7.847 5.107 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.460 4.288 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.945 3.125 -3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.701 3.004 -2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.555 4.702 -1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.117 4.055 -5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.609 5.697 -2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.169 5.051 -6.660 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.921 5.871 -5.137 1.00 0.00 H new ATOM 1001 N THR A 68 -7.250 6.922 -3.283 1.00 0.00 N ATOM 1002 CA THR A 68 -7.292 8.129 -4.099 1.00 0.00 C ATOM 1003 C THR A 68 -6.000 8.927 -3.969 1.00 0.00 C ATOM 1004 O THR A 68 -5.781 9.896 -4.695 1.00 0.00 O ATOM 1005 CB THR A 68 -8.480 9.029 -3.710 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.303 10.339 -4.260 1.00 0.00 O ATOM 1007 CG2 THR A 68 -8.614 9.123 -2.197 1.00 0.00 C ATOM 0 H THR A 68 -7.930 6.903 -2.523 1.00 0.00 H new ATOM 0 HA THR A 68 -7.413 7.807 -5.133 1.00 0.00 H new ATOM 0 HB THR A 68 -9.391 8.586 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.527 10.340 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.459 9.764 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.777 8.128 -1.784 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.701 9.545 -1.776 1.00 0.00 H new ATOM 1015 N HIS A 69 -5.146 8.513 -3.038 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.873 9.189 -2.814 1.00 0.00 C ATOM 1017 C HIS A 69 -2.737 8.458 -3.522 1.00 0.00 C ATOM 1018 O HIS A 69 -1.732 9.064 -3.895 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.579 9.283 -1.316 1.00 0.00 C ATOM 1020 CG HIS A 69 -4.357 10.357 -0.620 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -3.830 11.595 -0.321 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -5.631 10.372 -0.163 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -4.745 12.326 0.290 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -5.848 11.606 0.398 1.00 0.00 N ATOM 0 H HIS A 69 -5.312 7.713 -2.427 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.946 10.195 -3.227 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.802 8.324 -0.849 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.514 9.467 -1.174 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.344 9.564 -0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.614 13.339 0.641 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.719 11.917 0.828 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.902 7.152 -3.704 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.891 6.338 -4.368 1.00 0.00 C ATOM 1035 C VAL A 70 -2.376 5.866 -5.735 1.00 0.00 C ATOM 1036 O VAL A 70 -3.568 5.921 -6.036 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.511 5.111 -3.518 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.856 5.545 -2.216 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.736 4.251 -3.247 1.00 0.00 C ATOM 0 H VAL A 70 -3.727 6.635 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.011 6.968 -4.496 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.791 4.513 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.595 4.665 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.046 6.116 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.550 6.166 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.449 3.389 -2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.481 4.838 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.157 3.910 -4.193 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.443 5.401 -6.559 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.773 4.917 -7.894 1.00 0.00 C ATOM 1051 C LYS A 71 -1.198 3.523 -8.125 1.00 0.00 C ATOM 1052 O LYS A 71 -0.005 3.293 -7.924 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.241 5.882 -8.955 1.00 0.00 C ATOM 1054 CG LYS A 71 -1.855 5.675 -10.329 1.00 0.00 C ATOM 1055 CD LYS A 71 -3.137 6.475 -10.493 1.00 0.00 C ATOM 1056 CE LYS A 71 -2.847 7.923 -10.859 1.00 0.00 C ATOM 1057 NZ LYS A 71 -3.980 8.822 -10.503 1.00 0.00 N ATOM 0 H LYS A 71 -0.451 5.349 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.859 4.861 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.432 6.905 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.160 5.767 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.140 5.971 -11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.064 4.616 -10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.755 6.020 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.710 6.440 -9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.945 8.254 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.648 7.995 -11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.744 9.800 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.835 8.522 -11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.153 8.773 -9.479 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.052 2.598 -8.549 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.627 1.229 -8.810 1.00 0.00 C ATOM 1073 C ILE A 72 -0.909 1.122 -10.150 1.00 0.00 C ATOM 1074 O ILE A 72 -1.428 1.550 -11.181 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.822 0.257 -8.802 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.541 0.309 -7.452 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.356 -1.159 -9.105 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.765 -0.344 -6.329 1.00 0.00 C ATOM 0 H ILE A 72 -3.043 2.772 -8.719 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.940 0.954 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.524 0.562 -9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.734 1.350 -7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.510 -0.181 -7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.212 -1.834 -9.096 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.885 -1.185 -10.087 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.637 -1.475 -8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.334 -0.270 -5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.594 -1.394 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.807 0.161 -6.207 1.00 0.00 H new ATOM 1090 N PHE A 73 0.289 0.546 -10.130 1.00 0.00 N ATOM 1091 CA PHE A 73 1.079 0.381 -11.344 1.00 0.00 C ATOM 1092 C PHE A 73 1.766 -0.981 -11.365 1.00 0.00 C ATOM 1093 O PHE A 73 1.550 -1.811 -10.482 1.00 0.00 O ATOM 1094 CB PHE A 73 2.124 1.493 -11.452 1.00 0.00 C ATOM 1095 CG PHE A 73 3.207 1.402 -10.415 1.00 0.00 C ATOM 1096 CD1 PHE A 73 2.910 1.549 -9.070 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.522 1.169 -10.785 1.00 0.00 C ATOM 1098 CE1 PHE A 73 3.904 1.464 -8.113 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.519 1.084 -9.833 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.210 1.233 -8.495 1.00 0.00 C ATOM 0 H PHE A 73 0.734 0.186 -9.286 1.00 0.00 H new ATOM 0 HA PHE A 73 0.404 0.441 -12.198 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.577 1.459 -12.443 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.626 2.458 -11.362 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.890 1.732 -8.765 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.770 1.053 -11.830 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.659 1.578 -7.067 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.540 0.901 -10.135 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.989 1.169 -7.749 1.00 0.00 H new ATOM 1110 N ASP A 74 2.593 -1.204 -12.381 1.00 0.00 N ATOM 1111 CA ASP A 74 3.312 -2.465 -12.518 1.00 0.00 C ATOM 1112 C ASP A 74 4.793 -2.283 -12.200 1.00 0.00 C ATOM 1113 O ASP A 74 5.635 -2.166 -13.091 1.00 0.00 O ATOM 1114 CB ASP A 74 3.146 -3.020 -13.934 1.00 0.00 C ATOM 1115 CG ASP A 74 1.919 -3.900 -14.071 1.00 0.00 C ATOM 1116 OD1 ASP A 74 1.526 -4.530 -13.067 1.00 0.00 O ATOM 1117 OD2 ASP A 74 1.352 -3.957 -15.181 1.00 0.00 O ATOM 0 H ASP A 74 2.782 -0.528 -13.121 1.00 0.00 H new ATOM 0 HA ASP A 74 2.890 -3.175 -11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.076 -2.192 -14.640 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.033 -3.594 -14.202 1.00 0.00 H new