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 49 ASN : amide:sc= 0.747 K(o=-2.7,f=-1.1) USER MOD Set 1.2: A 51 ASN : amide:sc= -2.17! K(o=-2.7!,f=-0.45) USER MOD Set 1.3: A 53 GLN : amide:sc= -1.29 K(o=-2.7,f=-1.1) USER MOD Set 2.1: A 28 CYS SG : rot 178:sc= 0.578 USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0.536 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= -0.0297 (180deg=-0.453) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 2:sc= 0.00357 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 157:sc= -1.44 (180deg=-2.98) USER MOD Single : A 59 ASN : amide:sc= -4.51! C(o=-4.5!,f=-3.6!) USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= -0.0454 (180deg=-0.288) USER MOD Single : A 68 THR OG1 : rot 7:sc= 0.89! USER MOD Single : A 69 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-2.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N PRO A 16 1.730 -9.985 -4.259 1.00 0.00 N ATOM 177 CA PRO A 16 1.283 -8.774 -3.565 1.00 0.00 C ATOM 178 C PRO A 16 1.210 -7.567 -4.494 1.00 0.00 C ATOM 179 O PRO A 16 1.925 -7.497 -5.494 1.00 0.00 O ATOM 180 CB PRO A 16 2.357 -8.561 -2.495 1.00 0.00 C ATOM 181 CG PRO A 16 3.573 -9.225 -3.042 1.00 0.00 C ATOM 182 CD PRO A 16 3.080 -10.400 -3.841 1.00 0.00 C ATOM 0 HA PRO A 16 0.276 -8.884 -3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.532 -7.500 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.060 -9.001 -1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.144 -8.539 -3.668 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.235 -9.549 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.722 -10.601 -4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.053 -11.310 -3.242 1.00 0.00 H new ATOM 190 N VAL A 17 0.342 -6.618 -4.158 1.00 0.00 N ATOM 191 CA VAL A 17 0.177 -5.413 -4.962 1.00 0.00 C ATOM 192 C VAL A 17 0.969 -4.249 -4.376 1.00 0.00 C ATOM 193 O VAL A 17 1.032 -4.077 -3.158 1.00 0.00 O ATOM 194 CB VAL A 17 -1.305 -5.008 -5.069 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.451 -3.722 -5.867 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.119 -6.130 -5.697 1.00 0.00 C ATOM 0 H VAL A 17 -0.258 -6.661 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 17 0.556 -5.643 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.688 -4.829 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.505 -3.452 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.901 -2.922 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.052 -3.869 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.164 -5.827 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.737 -6.342 -6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.040 -7.026 -5.081 1.00 0.00 H new ATOM 206 N PHE A 18 1.573 -3.451 -5.251 1.00 0.00 N ATOM 207 CA PHE A 18 2.362 -2.303 -4.820 1.00 0.00 C ATOM 208 C PHE A 18 1.788 -1.007 -5.384 1.00 0.00 C ATOM 209 O PHE A 18 1.607 -0.869 -6.593 1.00 0.00 O ATOM 210 CB PHE A 18 3.818 -2.464 -5.263 1.00 0.00 C ATOM 211 CG PHE A 18 4.527 -3.604 -4.590 1.00 0.00 C ATOM 212 CD1 PHE A 18 4.333 -4.907 -5.019 1.00 0.00 C ATOM 213 CD2 PHE A 18 5.387 -3.373 -3.528 1.00 0.00 C ATOM 214 CE1 PHE A 18 4.983 -5.959 -4.401 1.00 0.00 C ATOM 215 CE2 PHE A 18 6.041 -4.421 -2.907 1.00 0.00 C ATOM 216 CZ PHE A 18 5.839 -5.715 -3.344 1.00 0.00 C ATOM 0 H PHE A 18 1.531 -3.578 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 18 2.323 -2.254 -3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.846 -2.615 -6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.357 -1.539 -5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.666 -5.103 -5.846 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.548 -2.363 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.822 -6.970 -4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.709 -4.228 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.349 -6.535 -2.861 1.00 0.00 H new ATOM 226 N ALA A 19 1.502 -0.059 -4.497 1.00 0.00 N ATOM 227 CA ALA A 19 0.949 1.227 -4.905 1.00 0.00 C ATOM 228 C ALA A 19 1.903 2.367 -4.565 1.00 0.00 C ATOM 229 O ALA A 19 2.219 2.600 -3.398 1.00 0.00 O ATOM 230 CB ALA A 19 -0.403 1.453 -4.245 1.00 0.00 C ATOM 0 H ALA A 19 1.644 -0.157 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 19 0.815 1.211 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.804 2.417 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.090 0.660 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.285 1.444 -3.161 1.00 0.00 H new ATOM 236 N LYS A 20 2.361 3.075 -5.592 1.00 0.00 N ATOM 237 CA LYS A 20 3.279 4.192 -5.403 1.00 0.00 C ATOM 238 C LYS A 20 2.531 5.440 -4.946 1.00 0.00 C ATOM 239 O LYS A 20 1.409 5.697 -5.382 1.00 0.00 O ATOM 240 CB LYS A 20 4.034 4.484 -6.702 1.00 0.00 C ATOM 241 CG LYS A 20 4.708 5.845 -6.721 1.00 0.00 C ATOM 242 CD LYS A 20 5.185 6.211 -8.117 1.00 0.00 C ATOM 243 CE LYS A 20 6.319 7.224 -8.070 1.00 0.00 C ATOM 244 NZ LYS A 20 6.327 8.103 -9.272 1.00 0.00 N ATOM 0 H LYS A 20 2.111 2.895 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 20 3.994 3.915 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.788 3.712 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.338 4.421 -7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.011 6.603 -6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.555 5.842 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.519 5.313 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.354 6.620 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.223 7.836 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.272 6.700 -7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.114 8.779 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.445 7.522 -10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.428 8.623 -9.328 1.00 0.00 H new ATOM 258 N ALA A 21 3.160 6.214 -4.067 1.00 0.00 N ATOM 259 CA ALA A 21 2.555 7.437 -3.555 1.00 0.00 C ATOM 260 C ALA A 21 2.724 8.588 -4.541 1.00 0.00 C ATOM 261 O ALA A 21 3.809 9.157 -4.664 1.00 0.00 O ATOM 262 CB ALA A 21 3.159 7.800 -2.207 1.00 0.00 C ATOM 0 H ALA A 21 4.089 6.015 -3.695 1.00 0.00 H new ATOM 0 HA ALA A 21 1.487 7.259 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.698 8.715 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.980 6.991 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.232 7.954 -2.319 1.00 0.00 H new ATOM 268 N ILE A 22 1.646 8.925 -5.240 1.00 0.00 N ATOM 269 CA ILE A 22 1.676 10.009 -6.214 1.00 0.00 C ATOM 270 C ILE A 22 1.525 11.365 -5.533 1.00 0.00 C ATOM 271 O ILE A 22 1.831 12.403 -6.120 1.00 0.00 O ATOM 272 CB ILE A 22 0.565 9.850 -7.268 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.789 9.643 -6.586 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.879 8.687 -8.198 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.968 9.811 -7.519 1.00 0.00 C ATOM 0 H ILE A 22 0.741 8.463 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 22 2.645 9.960 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 22 0.516 10.762 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.819 8.644 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.884 10.351 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.084 8.588 -8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.826 8.872 -8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.952 7.767 -7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.894 9.650 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.963 10.819 -7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.897 9.085 -8.329 1.00 0.00 H new ATOM 287 N GLN A 23 1.053 11.348 -4.291 1.00 0.00 N ATOM 288 CA GLN A 23 0.862 12.577 -3.529 1.00 0.00 C ATOM 289 C GLN A 23 1.497 12.464 -2.147 1.00 0.00 C ATOM 290 O GLN A 23 1.988 11.403 -1.761 1.00 0.00 O ATOM 291 CB GLN A 23 -0.628 12.892 -3.394 1.00 0.00 C ATOM 292 CG GLN A 23 -1.180 13.725 -4.540 1.00 0.00 C ATOM 293 CD GLN A 23 -2.677 13.563 -4.712 1.00 0.00 C ATOM 294 OE1 GLN A 23 -3.437 14.521 -4.569 1.00 0.00 O ATOM 295 NE2 GLN A 23 -3.110 12.346 -5.020 1.00 0.00 N ATOM 0 H GLN A 23 0.796 10.497 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 23 1.350 13.389 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.185 11.957 -3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.795 13.423 -2.457 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.950 14.776 -4.364 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.679 13.440 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.445 11.580 -5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.108 12.177 -5.148 1.00 0.00 H new ATOM 304 N LYS A 24 1.485 13.566 -1.404 1.00 0.00 N ATOM 305 CA LYS A 24 2.058 13.593 -0.064 1.00 0.00 C ATOM 306 C LYS A 24 0.994 13.300 0.989 1.00 0.00 C ATOM 307 O LYS A 24 -0.090 13.882 0.967 1.00 0.00 O ATOM 308 CB LYS A 24 2.702 14.954 0.211 1.00 0.00 C ATOM 309 CG LYS A 24 3.205 15.112 1.635 1.00 0.00 C ATOM 310 CD LYS A 24 4.052 16.364 1.791 1.00 0.00 C ATOM 311 CE LYS A 24 3.192 17.619 1.821 1.00 0.00 C ATOM 312 NZ LYS A 24 2.769 17.969 3.205 1.00 0.00 N ATOM 0 H LYS A 24 1.084 14.453 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 24 2.823 12.818 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.535 15.098 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.976 15.739 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.357 15.158 2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.792 14.237 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.634 16.299 2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.763 16.428 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.749 18.451 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.310 17.470 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.410 18.945 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.018 17.319 3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.583 17.888 3.848 1.00 0.00 H new ATOM 326 N ARG A 25 1.313 12.397 1.910 1.00 0.00 N ATOM 327 CA ARG A 25 0.384 12.028 2.972 1.00 0.00 C ATOM 328 C ARG A 25 0.902 12.486 4.331 1.00 0.00 C ATOM 329 O ARG A 25 1.923 11.997 4.816 1.00 0.00 O ATOM 330 CB ARG A 25 0.164 10.514 2.982 1.00 0.00 C ATOM 331 CG ARG A 25 -1.220 10.103 3.458 1.00 0.00 C ATOM 332 CD ARG A 25 -1.348 10.221 4.969 1.00 0.00 C ATOM 333 NE ARG A 25 -1.781 11.555 5.379 1.00 0.00 N ATOM 334 CZ ARG A 25 -2.984 12.050 5.113 1.00 0.00 C ATOM 335 NH1 ARG A 25 -3.869 11.327 4.442 1.00 0.00 N ATOM 336 NH2 ARG A 25 -3.304 13.272 5.520 1.00 0.00 N ATOM 0 H ARG A 25 2.207 11.907 1.943 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.566 12.526 2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.323 10.126 1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.913 10.051 3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.972 10.730 2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.420 9.076 3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.062 9.481 5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.389 9.993 5.433 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.124 12.137 5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.627 10.387 4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.792 11.710 4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.626 13.831 6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.228 13.652 5.315 1.00 0.00 H new ATOM 350 N VAL A 26 0.192 13.430 4.942 1.00 0.00 N ATOM 351 CA VAL A 26 0.580 13.955 6.246 1.00 0.00 C ATOM 352 C VAL A 26 -0.533 13.760 7.270 1.00 0.00 C ATOM 353 O VAL A 26 -1.436 14.586 7.407 1.00 0.00 O ATOM 354 CB VAL A 26 0.933 15.452 6.166 1.00 0.00 C ATOM 355 CG1 VAL A 26 2.326 15.642 5.587 1.00 0.00 C ATOM 356 CG2 VAL A 26 -0.103 16.200 5.341 1.00 0.00 C ATOM 0 H VAL A 26 -0.655 13.847 4.555 1.00 0.00 H new ATOM 0 HA VAL A 26 1.462 13.398 6.562 1.00 0.00 H new ATOM 0 HB VAL A 26 0.926 15.864 7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.558 16.706 5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.056 15.140 6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.365 15.216 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.162 17.256 5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.131 15.789 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.084 16.092 5.804 1.00 0.00 H new ATOM 366 N PRO A 27 -0.469 12.641 8.007 1.00 0.00 N ATOM 367 CA PRO A 27 -1.464 12.312 9.033 1.00 0.00 C ATOM 368 C PRO A 27 -1.374 13.233 10.244 1.00 0.00 C ATOM 369 O PRO A 27 -0.320 13.805 10.524 1.00 0.00 O ATOM 370 CB PRO A 27 -1.106 10.876 9.425 1.00 0.00 C ATOM 371 CG PRO A 27 0.342 10.745 9.102 1.00 0.00 C ATOM 372 CD PRO A 27 0.579 11.613 7.897 1.00 0.00 C ATOM 0 HA PRO A 27 -2.483 12.427 8.665 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.293 10.696 10.484 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.703 10.153 8.869 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.959 11.066 9.941 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.603 9.708 8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.576 12.053 7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.491 11.047 6.970 1.00 0.00 H new ATOM 380 N CYS A 28 -2.484 13.372 10.960 1.00 0.00 N ATOM 381 CA CYS A 28 -2.531 14.225 12.142 1.00 0.00 C ATOM 382 C CYS A 28 -1.882 13.533 13.337 1.00 0.00 C ATOM 383 O CYS A 28 -1.735 12.312 13.355 1.00 0.00 O ATOM 384 CB CYS A 28 -3.977 14.594 12.474 1.00 0.00 C ATOM 385 SG CYS A 28 -4.653 15.924 11.453 1.00 0.00 S ATOM 0 H CYS A 28 -3.364 12.905 10.742 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.973 15.136 11.925 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.602 13.709 12.359 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.034 14.890 13.521 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.894 16.134 11.779 1.00 0.00 H new ATOM 391 N ALA A 29 -1.495 14.323 14.333 1.00 0.00 N ATOM 392 CA ALA A 29 -0.863 13.787 15.532 1.00 0.00 C ATOM 393 C ALA A 29 -1.732 12.713 16.178 1.00 0.00 C ATOM 394 O ALA A 29 -1.273 11.599 16.431 1.00 0.00 O ATOM 395 CB ALA A 29 -0.579 14.906 16.524 1.00 0.00 C ATOM 0 H ALA A 29 -1.608 15.337 14.333 1.00 0.00 H new ATOM 0 HA ALA A 29 0.081 13.326 15.240 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.107 14.491 17.415 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.088 15.637 16.067 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.514 15.392 16.802 1.00 0.00 H new ATOM 401 N TYR A 30 -2.988 13.055 16.442 1.00 0.00 N ATOM 402 CA TYR A 30 -3.921 12.120 17.061 1.00 0.00 C ATOM 403 C TYR A 30 -4.165 10.915 16.157 1.00 0.00 C ATOM 404 O TYR A 30 -4.338 9.793 16.633 1.00 0.00 O ATOM 405 CB TYR A 30 -5.246 12.818 17.368 1.00 0.00 C ATOM 406 CG TYR A 30 -5.824 13.567 16.188 1.00 0.00 C ATOM 407 CD1 TYR A 30 -5.503 14.899 15.960 1.00 0.00 C ATOM 408 CD2 TYR A 30 -6.691 12.941 15.301 1.00 0.00 C ATOM 409 CE1 TYR A 30 -6.029 15.587 14.884 1.00 0.00 C ATOM 410 CE2 TYR A 30 -7.222 13.620 14.221 1.00 0.00 C ATOM 411 CZ TYR A 30 -6.888 14.943 14.017 1.00 0.00 C ATOM 412 OH TYR A 30 -7.413 15.624 12.943 1.00 0.00 O ATOM 0 H TYR A 30 -3.384 13.972 16.237 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.479 11.768 17.993 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.969 12.075 17.705 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.097 13.515 18.193 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.830 15.406 16.636 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.955 11.906 15.458 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.770 16.623 14.722 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.894 13.118 13.541 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.998 15.027 12.431 1.00 0.00 H new ATOM 422 N ASP A 31 -4.176 11.157 14.851 1.00 0.00 N ATOM 423 CA ASP A 31 -4.397 10.092 13.879 1.00 0.00 C ATOM 424 C ASP A 31 -3.180 9.177 13.789 1.00 0.00 C ATOM 425 O ASP A 31 -2.144 9.556 13.241 1.00 0.00 O ATOM 426 CB ASP A 31 -4.708 10.685 12.504 1.00 0.00 C ATOM 427 CG ASP A 31 -5.560 9.762 11.655 1.00 0.00 C ATOM 428 OD1 ASP A 31 -5.377 8.531 11.752 1.00 0.00 O ATOM 429 OD2 ASP A 31 -6.408 10.271 10.892 1.00 0.00 O ATOM 0 H ASP A 31 -4.035 12.080 14.441 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.249 9.500 14.212 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.224 11.637 12.630 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.774 10.895 11.982 1.00 0.00 H new ATOM 434 N LYS A 32 -3.311 7.972 14.331 1.00 0.00 N ATOM 435 CA LYS A 32 -2.222 7.001 14.313 1.00 0.00 C ATOM 436 C LYS A 32 -2.422 5.981 13.197 1.00 0.00 C ATOM 437 O LYS A 32 -1.457 5.489 12.611 1.00 0.00 O ATOM 438 CB LYS A 32 -2.127 6.285 15.662 1.00 0.00 C ATOM 439 CG LYS A 32 -1.281 7.023 16.684 1.00 0.00 C ATOM 440 CD LYS A 32 -2.096 8.061 17.438 1.00 0.00 C ATOM 441 CE LYS A 32 -1.427 8.453 18.746 1.00 0.00 C ATOM 442 NZ LYS A 32 -1.784 7.524 19.853 1.00 0.00 N ATOM 0 H LYS A 32 -4.161 7.643 14.789 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.292 7.539 14.128 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.131 6.150 16.064 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.709 5.290 15.507 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.857 6.309 17.390 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.445 7.510 16.182 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.226 8.946 16.815 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.091 7.666 17.641 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.345 8.460 18.613 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.721 9.468 19.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.308 7.826 20.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.814 7.536 19.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.480 6.560 19.609 1.00 0.00 H new ATOM 456 N THR A 33 -3.681 5.668 12.905 1.00 0.00 N ATOM 457 CA THR A 33 -4.007 4.707 11.859 1.00 0.00 C ATOM 458 C THR A 33 -3.616 5.237 10.484 1.00 0.00 C ATOM 459 O THR A 33 -3.252 4.470 9.593 1.00 0.00 O ATOM 460 CB THR A 33 -5.509 4.366 11.857 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.284 5.570 11.853 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.874 3.526 13.072 1.00 0.00 C ATOM 0 H THR A 33 -4.492 6.067 13.379 1.00 0.00 H new ATOM 0 HA THR A 33 -3.437 3.803 12.072 1.00 0.00 H new ATOM 0 HB THR A 33 -5.728 3.790 10.958 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.685 6.345 11.816 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.939 3.297 13.049 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.303 2.598 13.057 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.641 4.081 13.981 1.00 0.00 H new ATOM 470 N ALA A 34 -3.693 6.554 10.319 1.00 0.00 N ATOM 471 CA ALA A 34 -3.345 7.186 9.053 1.00 0.00 C ATOM 472 C ALA A 34 -1.858 7.032 8.753 1.00 0.00 C ATOM 473 O ALA A 34 -1.017 7.680 9.379 1.00 0.00 O ATOM 474 CB ALA A 34 -3.731 8.658 9.075 1.00 0.00 C ATOM 0 H ALA A 34 -3.993 7.203 11.046 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.902 6.687 8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.465 9.118 8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.805 8.750 9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.199 9.162 9.882 1.00 0.00 H new ATOM 480 N LEU A 35 -1.538 6.171 7.794 1.00 0.00 N ATOM 481 CA LEU A 35 -0.151 5.931 7.411 1.00 0.00 C ATOM 482 C LEU A 35 0.464 7.177 6.783 1.00 0.00 C ATOM 483 O LEU A 35 -0.160 7.837 5.952 1.00 0.00 O ATOM 484 CB LEU A 35 -0.067 4.758 6.434 1.00 0.00 C ATOM 485 CG LEU A 35 1.221 3.935 6.482 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.220 2.877 5.389 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.438 4.840 6.350 1.00 0.00 C ATOM 0 H LEU A 35 -2.221 5.627 7.267 1.00 0.00 H new ATOM 0 HA LEU A 35 0.412 5.686 8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.908 4.091 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.190 5.144 5.422 1.00 0.00 H new ATOM 0 HG LEU A 35 1.271 3.431 7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.144 2.301 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.369 2.210 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.146 3.360 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.345 4.237 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.394 5.373 5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.447 5.559 7.169 1.00 0.00 H new ATOM 499 N ALA A 36 1.691 7.492 7.183 1.00 0.00 N ATOM 500 CA ALA A 36 2.392 8.656 6.656 1.00 0.00 C ATOM 501 C ALA A 36 3.340 8.262 5.528 1.00 0.00 C ATOM 502 O ALA A 36 4.127 7.324 5.663 1.00 0.00 O ATOM 503 CB ALA A 36 3.156 9.360 7.767 1.00 0.00 C ATOM 0 H ALA A 36 2.221 6.957 7.871 1.00 0.00 H new ATOM 0 HA ALA A 36 1.649 9.342 6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.675 10.227 7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.458 9.685 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.883 8.673 8.200 1.00 0.00 H new ATOM 509 N LEU A 37 3.259 8.983 4.415 1.00 0.00 N ATOM 510 CA LEU A 37 4.109 8.708 3.262 1.00 0.00 C ATOM 511 C LEU A 37 4.507 10.001 2.558 1.00 0.00 C ATOM 512 O LEU A 37 3.914 11.054 2.792 1.00 0.00 O ATOM 513 CB LEU A 37 3.389 7.781 2.281 1.00 0.00 C ATOM 514 CG LEU A 37 2.835 6.482 2.868 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.773 5.893 1.953 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.957 5.481 3.100 1.00 0.00 C ATOM 0 H LEU A 37 2.613 9.762 4.287 1.00 0.00 H new ATOM 0 HA LEU A 37 5.014 8.216 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.565 8.333 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.081 7.527 1.478 1.00 0.00 H new ATOM 0 HG LEU A 37 2.372 6.708 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.390 4.969 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.956 6.605 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.210 5.682 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.545 4.563 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.449 5.260 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.683 5.902 3.796 1.00 0.00 H new ATOM 528 N GLU A 38 5.514 9.914 1.694 1.00 0.00 N ATOM 529 CA GLU A 38 5.990 11.077 0.956 1.00 0.00 C ATOM 530 C GLU A 38 6.009 10.799 -0.545 1.00 0.00 C ATOM 531 O GLU A 38 6.252 9.671 -0.975 1.00 0.00 O ATOM 532 CB GLU A 38 7.389 11.474 1.430 1.00 0.00 C ATOM 533 CG GLU A 38 8.479 10.517 0.978 1.00 0.00 C ATOM 534 CD GLU A 38 9.774 10.703 1.744 1.00 0.00 C ATOM 535 OE1 GLU A 38 10.524 11.648 1.422 1.00 0.00 O ATOM 536 OE2 GLU A 38 10.037 9.903 2.667 1.00 0.00 O ATOM 0 H GLU A 38 6.015 9.050 1.488 1.00 0.00 H new ATOM 0 HA GLU A 38 5.303 11.901 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.619 12.473 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.393 11.528 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.131 9.491 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.667 10.662 -0.086 1.00 0.00 H new ATOM 543 N VAL A 39 5.752 11.835 -1.336 1.00 0.00 N ATOM 544 CA VAL A 39 5.741 11.703 -2.788 1.00 0.00 C ATOM 545 C VAL A 39 6.926 10.877 -3.275 1.00 0.00 C ATOM 546 O VAL A 39 8.078 11.293 -3.154 1.00 0.00 O ATOM 547 CB VAL A 39 5.772 13.081 -3.477 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.758 12.922 -4.990 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.603 13.935 -3.012 1.00 0.00 C ATOM 0 H VAL A 39 5.549 12.775 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 39 4.814 11.193 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 39 6.696 13.587 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.780 13.905 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.631 12.350 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.852 12.396 -5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.641 14.905 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.666 13.436 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.663 14.077 -1.933 1.00 0.00 H new ATOM 559 N GLY A 40 6.636 9.702 -3.826 1.00 0.00 N ATOM 560 CA GLY A 40 7.688 8.836 -4.323 1.00 0.00 C ATOM 561 C GLY A 40 8.046 7.737 -3.342 1.00 0.00 C ATOM 562 O GLY A 40 9.216 7.379 -3.199 1.00 0.00 O ATOM 0 H GLY A 40 5.691 9.335 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.371 8.389 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.575 9.432 -4.535 1.00 0.00 H new ATOM 566 N ASP A 41 7.038 7.201 -2.662 1.00 0.00 N ATOM 567 CA ASP A 41 7.252 6.137 -1.688 1.00 0.00 C ATOM 568 C ASP A 41 6.388 4.923 -2.012 1.00 0.00 C ATOM 569 O ASP A 41 5.161 5.019 -2.069 1.00 0.00 O ATOM 570 CB ASP A 41 6.943 6.638 -0.277 1.00 0.00 C ATOM 571 CG ASP A 41 8.148 7.270 0.391 1.00 0.00 C ATOM 572 OD1 ASP A 41 9.062 7.714 -0.334 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.178 7.319 1.639 1.00 0.00 O ATOM 0 H ASP A 41 6.064 7.486 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 41 8.299 5.838 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.133 7.366 -0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.589 5.806 0.331 1.00 0.00 H new ATOM 578 N ILE A 42 7.035 3.782 -2.223 1.00 0.00 N ATOM 579 CA ILE A 42 6.325 2.549 -2.541 1.00 0.00 C ATOM 580 C ILE A 42 5.548 2.035 -1.333 1.00 0.00 C ATOM 581 O ILE A 42 6.062 2.013 -0.215 1.00 0.00 O ATOM 582 CB ILE A 42 7.291 1.450 -3.021 1.00 0.00 C ATOM 583 CG1 ILE A 42 8.026 1.904 -4.284 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.535 0.155 -3.278 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.104 2.214 -5.442 1.00 0.00 C ATOM 0 H ILE A 42 8.049 3.686 -2.180 1.00 0.00 H new ATOM 0 HA ILE A 42 5.628 2.785 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 42 8.028 1.268 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.616 2.791 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.727 1.126 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.232 -0.612 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.053 -0.174 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.778 0.322 -4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.694 2.529 -6.303 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.533 1.323 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.420 3.014 -5.158 1.00 0.00 H new ATOM 597 N VAL A 43 4.307 1.621 -1.567 1.00 0.00 N ATOM 598 CA VAL A 43 3.460 1.103 -0.499 1.00 0.00 C ATOM 599 C VAL A 43 3.022 -0.328 -0.789 1.00 0.00 C ATOM 600 O VAL A 43 2.158 -0.565 -1.634 1.00 0.00 O ATOM 601 CB VAL A 43 2.210 1.981 -0.299 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.489 1.600 0.985 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.589 3.454 -0.290 1.00 0.00 C ATOM 0 H VAL A 43 3.866 1.634 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 43 4.056 1.119 0.413 1.00 0.00 H new ATOM 0 HB VAL A 43 1.530 1.809 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.609 2.231 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.182 0.555 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.159 1.740 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.694 4.059 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.289 3.645 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.056 3.715 -1.239 1.00 0.00 H new ATOM 613 N LYS A 44 3.623 -1.279 -0.083 1.00 0.00 N ATOM 614 CA LYS A 44 3.294 -2.689 -0.262 1.00 0.00 C ATOM 615 C LYS A 44 2.188 -3.116 0.697 1.00 0.00 C ATOM 616 O LYS A 44 2.408 -3.228 1.903 1.00 0.00 O ATOM 617 CB LYS A 44 4.537 -3.555 -0.043 1.00 0.00 C ATOM 618 CG LYS A 44 4.245 -5.045 -0.033 1.00 0.00 C ATOM 619 CD LYS A 44 5.378 -5.831 0.607 1.00 0.00 C ATOM 620 CE LYS A 44 5.403 -7.271 0.117 1.00 0.00 C ATOM 621 NZ LYS A 44 6.584 -8.013 0.639 1.00 0.00 N ATOM 0 H LYS A 44 4.341 -1.100 0.619 1.00 0.00 H new ATOM 0 HA LYS A 44 2.938 -2.827 -1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.262 -3.340 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.001 -3.278 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.319 -5.232 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.091 -5.393 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.330 -5.351 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.266 -5.816 1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.489 -7.777 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.418 -7.284 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.565 -8.990 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.456 -7.545 0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.556 -8.023 1.679 1.00 0.00 H new ATOM 635 N VAL A 45 0.999 -3.354 0.153 1.00 0.00 N ATOM 636 CA VAL A 45 -0.141 -3.772 0.961 1.00 0.00 C ATOM 637 C VAL A 45 -0.469 -5.242 0.729 1.00 0.00 C ATOM 638 O VAL A 45 -0.485 -5.715 -0.408 1.00 0.00 O ATOM 639 CB VAL A 45 -1.389 -2.924 0.651 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.563 -2.758 -0.851 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.627 -3.551 1.273 1.00 0.00 C ATOM 0 H VAL A 45 0.800 -3.265 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 45 0.139 -3.625 2.004 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.252 -1.935 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.450 -2.156 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.686 -2.261 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.678 -3.738 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.499 -2.939 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.770 -4.553 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.500 -3.612 2.354 1.00 0.00 H new ATOM 651 N THR A 46 -0.732 -5.963 1.815 1.00 0.00 N ATOM 652 CA THR A 46 -1.059 -7.380 1.731 1.00 0.00 C ATOM 653 C THR A 46 -2.554 -7.612 1.924 1.00 0.00 C ATOM 654 O THR A 46 -3.116 -8.569 1.393 1.00 0.00 O ATOM 655 CB THR A 46 -0.285 -8.199 2.782 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.853 -7.992 4.080 1.00 0.00 O ATOM 657 CG2 THR A 46 1.185 -7.807 2.797 1.00 0.00 C ATOM 0 H THR A 46 -0.725 -5.588 2.763 1.00 0.00 H new ATOM 0 HA THR A 46 -0.768 -7.713 0.735 1.00 0.00 H new ATOM 0 HB THR A 46 -0.361 -9.254 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.357 -8.517 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.712 -8.398 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.621 -7.993 1.816 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.277 -6.748 3.040 1.00 0.00 H new ATOM 665 N ARG A 47 -3.191 -6.729 2.686 1.00 0.00 N ATOM 666 CA ARG A 47 -4.621 -6.838 2.948 1.00 0.00 C ATOM 667 C ARG A 47 -5.392 -5.738 2.224 1.00 0.00 C ATOM 668 O ARG A 47 -5.468 -4.605 2.698 1.00 0.00 O ATOM 669 CB ARG A 47 -4.892 -6.761 4.452 1.00 0.00 C ATOM 670 CG ARG A 47 -4.583 -8.051 5.193 1.00 0.00 C ATOM 671 CD ARG A 47 -5.719 -9.054 5.062 1.00 0.00 C ATOM 672 NE ARG A 47 -6.738 -8.865 6.091 1.00 0.00 N ATOM 673 CZ ARG A 47 -6.621 -9.317 7.334 1.00 0.00 C ATOM 674 NH1 ARG A 47 -5.535 -9.982 7.701 1.00 0.00 N ATOM 675 NH2 ARG A 47 -7.593 -9.105 8.213 1.00 0.00 N ATOM 0 H ARG A 47 -2.740 -5.931 3.133 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.962 -7.803 2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.296 -5.955 4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.939 -6.502 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.664 -8.487 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.408 -7.834 6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.176 -8.957 4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.319 -10.066 5.130 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.587 -8.358 5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.787 -10.148 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.448 -10.328 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.431 -8.594 7.934 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.502 -9.453 9.168 1.00 0.00 H new ATOM 689 N MET A 48 -5.963 -6.082 1.074 1.00 0.00 N ATOM 690 CA MET A 48 -6.729 -5.123 0.285 1.00 0.00 C ATOM 691 C MET A 48 -8.209 -5.179 0.650 1.00 0.00 C ATOM 692 O MET A 48 -8.936 -6.061 0.196 1.00 0.00 O ATOM 693 CB MET A 48 -6.548 -5.400 -1.208 1.00 0.00 C ATOM 694 CG MET A 48 -5.377 -4.655 -1.828 1.00 0.00 C ATOM 695 SD MET A 48 -5.817 -2.987 -2.355 1.00 0.00 S ATOM 696 CE MET A 48 -4.403 -2.571 -3.373 1.00 0.00 C ATOM 0 H MET A 48 -5.910 -7.016 0.668 1.00 0.00 H new ATOM 0 HA MET A 48 -6.356 -4.124 0.509 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.406 -6.471 -1.356 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.462 -5.124 -1.734 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.562 -4.601 -1.106 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.006 -5.217 -2.685 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.681 -1.789 -4.080 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.590 -2.215 -2.739 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.076 -3.455 -3.920 1.00 0.00 H new ATOM 706 N ASN A 49 -8.647 -4.232 1.472 1.00 0.00 N ATOM 707 CA ASN A 49 -10.041 -4.174 1.898 1.00 0.00 C ATOM 708 C ASN A 49 -10.942 -3.730 0.750 1.00 0.00 C ATOM 709 O ASN A 49 -10.474 -3.159 -0.235 1.00 0.00 O ATOM 710 CB ASN A 49 -10.195 -3.217 3.082 1.00 0.00 C ATOM 711 CG ASN A 49 -9.188 -3.491 4.182 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.826 -4.641 4.435 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.732 -2.434 4.844 1.00 0.00 N ATOM 0 H ASN A 49 -8.057 -3.494 1.857 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.343 -5.175 2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.078 -2.191 2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.203 -3.303 3.487 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.054 -2.557 5.596 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.060 -1.499 4.600 1.00 0.00 H new ATOM 720 N ILE A 50 -12.237 -3.997 0.885 1.00 0.00 N ATOM 721 CA ILE A 50 -13.204 -3.624 -0.140 1.00 0.00 C ATOM 722 C ILE A 50 -13.860 -2.286 0.185 1.00 0.00 C ATOM 723 O ILE A 50 -14.623 -1.747 -0.616 1.00 0.00 O ATOM 724 CB ILE A 50 -14.299 -4.695 -0.297 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.983 -4.958 1.047 1.00 0.00 C ATOM 726 CG2 ILE A 50 -13.707 -5.980 -0.857 1.00 0.00 C ATOM 727 CD1 ILE A 50 -16.198 -5.853 0.942 1.00 0.00 C ATOM 0 H ILE A 50 -12.640 -4.470 1.694 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.654 -3.539 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.048 -4.327 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.264 -5.413 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.280 -4.006 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.493 -6.727 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.263 -5.781 -1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.940 -6.353 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.631 -5.996 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.935 -5.390 0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.904 -6.819 0.532 1.00 0.00 H new ATOM 739 N ASN A 51 -13.556 -1.755 1.365 1.00 0.00 N ATOM 740 CA ASN A 51 -14.115 -0.478 1.795 1.00 0.00 C ATOM 741 C ASN A 51 -13.468 0.680 1.042 1.00 0.00 C ATOM 742 O ASN A 51 -14.150 1.600 0.593 1.00 0.00 O ATOM 743 CB ASN A 51 -13.921 -0.294 3.301 1.00 0.00 C ATOM 744 CG ASN A 51 -14.197 1.127 3.751 1.00 0.00 C ATOM 745 OD1 ASN A 51 -15.255 1.419 4.308 1.00 0.00 O ATOM 746 ND2 ASN A 51 -13.243 2.020 3.510 1.00 0.00 N ATOM 0 H ASN A 51 -12.926 -2.189 2.040 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.182 -0.483 1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.582 -0.976 3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.900 -0.565 3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.372 2.992 3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.381 1.733 3.045 1.00 0.00 H new ATOM 753 N GLY A 52 -12.147 0.628 0.908 1.00 0.00 N ATOM 754 CA GLY A 52 -11.429 1.678 0.209 1.00 0.00 C ATOM 755 C GLY A 52 -9.977 1.769 0.632 1.00 0.00 C ATOM 756 O GLY A 52 -9.080 1.801 -0.210 1.00 0.00 O ATOM 0 H GLY A 52 -11.560 -0.123 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.481 1.496 -0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.919 2.634 0.394 1.00 0.00 H new ATOM 760 N GLN A 53 -9.745 1.812 1.940 1.00 0.00 N ATOM 761 CA GLN A 53 -8.390 1.903 2.473 1.00 0.00 C ATOM 762 C GLN A 53 -7.758 0.520 2.591 1.00 0.00 C ATOM 763 O GLN A 53 -8.447 -0.468 2.846 1.00 0.00 O ATOM 764 CB GLN A 53 -8.402 2.590 3.840 1.00 0.00 C ATOM 765 CG GLN A 53 -8.693 1.644 4.993 1.00 0.00 C ATOM 766 CD GLN A 53 -10.106 1.096 4.957 1.00 0.00 C ATOM 767 OE1 GLN A 53 -10.342 -0.011 4.472 1.00 0.00 O ATOM 768 NE2 GLN A 53 -11.055 1.869 5.471 1.00 0.00 N ATOM 0 H GLN A 53 -10.477 1.785 2.650 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.793 2.497 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.436 3.066 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.151 3.382 3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.985 0.815 4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.534 2.167 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.815 2.780 5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.025 1.552 5.474 1.00 0.00 H new ATOM 777 N TRP A 54 -6.445 0.458 2.403 1.00 0.00 N ATOM 778 CA TRP A 54 -5.720 -0.805 2.488 1.00 0.00 C ATOM 779 C TRP A 54 -4.668 -0.756 3.590 1.00 0.00 C ATOM 780 O TRP A 54 -4.377 0.309 4.134 1.00 0.00 O ATOM 781 CB TRP A 54 -5.058 -1.128 1.147 1.00 0.00 C ATOM 782 CG TRP A 54 -5.883 -0.721 -0.036 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.236 -0.843 -0.173 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.407 -0.128 -1.249 1.00 0.00 C ATOM 785 NE1 TRP A 54 -7.630 -0.361 -1.398 1.00 0.00 N ATOM 786 CE2 TRP A 54 -6.527 0.083 -2.077 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.144 0.246 -1.716 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -6.419 0.651 -3.344 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.039 0.809 -2.974 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.171 1.008 -3.776 1.00 0.00 C ATOM 0 H TRP A 54 -5.861 1.267 2.191 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.436 -1.591 2.730 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.092 -0.626 1.097 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.864 -2.199 1.094 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.899 -1.257 0.572 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -8.589 -0.338 -1.745 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.266 0.098 -1.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.290 0.804 -3.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.068 1.101 -3.345 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.056 1.452 -4.754 1.00 0.00 H new ATOM 801 N GLU A 55 -4.100 -1.914 3.913 1.00 0.00 N ATOM 802 CA GLU A 55 -3.080 -2.000 4.951 1.00 0.00 C ATOM 803 C GLU A 55 -1.717 -2.326 4.349 1.00 0.00 C ATOM 804 O GLU A 55 -1.506 -3.416 3.817 1.00 0.00 O ATOM 805 CB GLU A 55 -3.461 -3.062 5.985 1.00 0.00 C ATOM 806 CG GLU A 55 -2.800 -2.860 7.338 1.00 0.00 C ATOM 807 CD GLU A 55 -2.842 -4.107 8.200 1.00 0.00 C ATOM 808 OE1 GLU A 55 -2.155 -5.091 7.854 1.00 0.00 O ATOM 809 OE2 GLU A 55 -3.563 -4.100 9.219 1.00 0.00 O ATOM 0 H GLU A 55 -4.329 -2.804 3.471 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.017 -1.030 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.543 -3.059 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.189 -4.045 5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.763 -2.560 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.296 -2.043 7.862 1.00 0.00 H new ATOM 816 N GLY A 56 -0.794 -1.373 4.436 1.00 0.00 N ATOM 817 CA GLY A 56 0.537 -1.577 3.895 1.00 0.00 C ATOM 818 C GLY A 56 1.625 -1.088 4.831 1.00 0.00 C ATOM 819 O GLY A 56 1.388 -0.212 5.662 1.00 0.00 O ATOM 0 H GLY A 56 -0.944 -0.463 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.685 -2.638 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.622 -1.057 2.941 1.00 0.00 H new ATOM 823 N GLU A 57 2.819 -1.655 4.695 1.00 0.00 N ATOM 824 CA GLU A 57 3.946 -1.272 5.538 1.00 0.00 C ATOM 825 C GLU A 57 4.949 -0.429 4.755 1.00 0.00 C ATOM 826 O GLU A 57 5.296 -0.753 3.619 1.00 0.00 O ATOM 827 CB GLU A 57 4.637 -2.516 6.100 1.00 0.00 C ATOM 828 CG GLU A 57 5.637 -2.211 7.203 1.00 0.00 C ATOM 829 CD GLU A 57 7.017 -1.887 6.665 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.633 -2.773 6.037 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.482 -0.746 6.873 1.00 0.00 O ATOM 0 H GLU A 57 3.031 -2.380 4.010 1.00 0.00 H new ATOM 0 HA GLU A 57 3.562 -0.674 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.880 -3.199 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.150 -3.034 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.275 -1.370 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.704 -3.067 7.874 1.00 0.00 H new ATOM 838 N VAL A 58 5.410 0.654 5.371 1.00 0.00 N ATOM 839 CA VAL A 58 6.374 1.544 4.734 1.00 0.00 C ATOM 840 C VAL A 58 7.234 2.256 5.771 1.00 0.00 C ATOM 841 O VAL A 58 6.775 2.557 6.872 1.00 0.00 O ATOM 842 CB VAL A 58 5.670 2.596 3.856 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.685 3.564 3.265 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.863 1.920 2.758 1.00 0.00 C ATOM 0 H VAL A 58 5.132 0.937 6.311 1.00 0.00 H new ATOM 0 HA VAL A 58 7.011 0.923 4.104 1.00 0.00 H new ATOM 0 HB VAL A 58 4.983 3.165 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.169 4.300 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.214 4.073 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.399 3.013 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.373 2.678 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.528 1.324 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.110 1.272 3.206 1.00 0.00 H new ATOM 854 N ASN A 59 8.485 2.524 5.411 1.00 0.00 N ATOM 855 CA ASN A 59 9.411 3.202 6.311 1.00 0.00 C ATOM 856 C ASN A 59 9.244 2.701 7.742 1.00 0.00 C ATOM 857 O ASN A 59 9.425 3.452 8.700 1.00 0.00 O ATOM 858 CB ASN A 59 9.189 4.715 6.260 1.00 0.00 C ATOM 859 CG ASN A 59 8.120 5.176 7.232 1.00 0.00 C ATOM 860 OD1 ASN A 59 8.424 5.643 8.330 1.00 0.00 O ATOM 861 ND2 ASN A 59 6.861 5.046 6.832 1.00 0.00 N ATOM 0 H ASN A 59 8.881 2.282 4.503 1.00 0.00 H new ATOM 0 HA ASN A 59 10.426 2.979 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.126 5.225 6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.905 5.004 5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.099 5.339 7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.656 4.654 5.913 1.00 0.00 H new ATOM 868 N GLY A 60 8.896 1.424 7.880 1.00 0.00 N ATOM 869 CA GLY A 60 8.711 0.844 9.197 1.00 0.00 C ATOM 870 C GLY A 60 7.468 1.364 9.890 1.00 0.00 C ATOM 871 O GLY A 60 7.475 1.601 11.098 1.00 0.00 O ATOM 0 H GLY A 60 8.739 0.782 7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.646 -0.240 9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.584 1.061 9.812 1.00 0.00 H new ATOM 875 N ARG A 61 6.396 1.545 9.124 1.00 0.00 N ATOM 876 CA ARG A 61 5.141 2.044 9.672 1.00 0.00 C ATOM 877 C ARG A 61 3.948 1.429 8.945 1.00 0.00 C ATOM 878 O ARG A 61 3.801 1.581 7.732 1.00 0.00 O ATOM 879 CB ARG A 61 5.085 3.569 9.567 1.00 0.00 C ATOM 880 CG ARG A 61 6.050 4.279 10.502 1.00 0.00 C ATOM 881 CD ARG A 61 5.691 5.748 10.662 1.00 0.00 C ATOM 882 NE ARG A 61 6.361 6.353 11.811 1.00 0.00 N ATOM 883 CZ ARG A 61 6.511 7.664 11.967 1.00 0.00 C ATOM 884 NH1 ARG A 61 6.041 8.502 11.054 1.00 0.00 N ATOM 885 NH2 ARG A 61 7.131 8.138 13.040 1.00 0.00 N ATOM 0 H ARG A 61 6.372 1.353 8.122 1.00 0.00 H new ATOM 0 HA ARG A 61 5.092 1.757 10.722 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.305 3.862 8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.070 3.903 9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.038 3.792 11.477 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.065 4.191 10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.965 6.289 9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.612 5.847 10.778 1.00 0.00 H new ATOM 0 HE ARG A 61 6.734 5.736 12.532 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.563 8.141 10.229 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.158 9.508 11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.493 7.496 13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.246 9.144 13.160 1.00 0.00 H new ATOM 899 N LYS A 62 3.099 0.735 9.694 1.00 0.00 N ATOM 900 CA LYS A 62 1.918 0.098 9.123 1.00 0.00 C ATOM 901 C LYS A 62 0.651 0.856 9.506 1.00 0.00 C ATOM 902 O LYS A 62 0.288 0.924 10.679 1.00 0.00 O ATOM 903 CB LYS A 62 1.818 -1.355 9.596 1.00 0.00 C ATOM 904 CG LYS A 62 2.955 -2.234 9.104 1.00 0.00 C ATOM 905 CD LYS A 62 3.074 -3.505 9.928 1.00 0.00 C ATOM 906 CE LYS A 62 3.844 -3.263 11.217 1.00 0.00 C ATOM 907 NZ LYS A 62 5.286 -2.995 10.960 1.00 0.00 N ATOM 0 H LYS A 62 3.207 0.599 10.699 1.00 0.00 H new ATOM 0 HA LYS A 62 2.016 0.115 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.801 -1.373 10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.872 -1.775 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.790 -2.492 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.892 -1.679 9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.079 -3.882 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.576 -4.274 9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.407 -2.418 11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.746 -4.133 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.834 -3.186 11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.622 -3.612 10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.410 -2.000 10.684 1.00 0.00 H new ATOM 921 N GLY A 63 -0.018 1.424 8.507 1.00 0.00 N ATOM 922 CA GLY A 63 -1.237 2.169 8.760 1.00 0.00 C ATOM 923 C GLY A 63 -2.167 2.183 7.563 1.00 0.00 C ATOM 924 O GLY A 63 -1.786 1.769 6.467 1.00 0.00 O ATOM 0 H GLY A 63 0.263 1.381 7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.755 1.733 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.983 3.194 9.031 1.00 0.00 H new ATOM 928 N LEU A 64 -3.389 2.660 7.770 1.00 0.00 N ATOM 929 CA LEU A 64 -4.377 2.726 6.699 1.00 0.00 C ATOM 930 C LEU A 64 -4.195 3.991 5.867 1.00 0.00 C ATOM 931 O LEU A 64 -4.252 5.104 6.390 1.00 0.00 O ATOM 932 CB LEU A 64 -5.792 2.683 7.280 1.00 0.00 C ATOM 933 CG LEU A 64 -6.197 1.376 7.963 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.644 1.443 8.426 1.00 0.00 C ATOM 935 CD2 LEU A 64 -5.990 0.197 7.024 1.00 0.00 C ATOM 0 H LEU A 64 -3.720 3.007 8.670 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.231 1.863 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.892 3.493 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.500 2.884 6.476 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.563 1.233 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.915 0.505 8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.762 2.263 9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.294 1.609 7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.283 -0.725 7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.599 0.332 6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.939 0.137 6.741 1.00 0.00 H new ATOM 947 N PHE A 65 -3.977 3.813 4.568 1.00 0.00 N ATOM 948 CA PHE A 65 -3.788 4.941 3.663 1.00 0.00 C ATOM 949 C PHE A 65 -4.845 4.937 2.562 1.00 0.00 C ATOM 950 O PHE A 65 -5.286 3.887 2.094 1.00 0.00 O ATOM 951 CB PHE A 65 -2.390 4.896 3.044 1.00 0.00 C ATOM 952 CG PHE A 65 -2.109 3.629 2.287 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.757 2.469 2.957 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.198 3.599 0.904 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.499 1.302 2.264 1.00 0.00 C ATOM 956 CE2 PHE A 65 -1.941 2.435 0.205 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.590 1.285 0.886 1.00 0.00 C ATOM 0 H PHE A 65 -3.927 2.899 4.119 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.893 5.860 4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.272 5.745 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.648 5.010 3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.683 2.477 4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.471 4.495 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.227 0.404 2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.014 2.424 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.387 0.375 0.342 1.00 0.00 H new ATOM 967 N PRO A 66 -5.261 6.139 2.138 1.00 0.00 N ATOM 968 CA PRO A 66 -6.270 6.303 1.087 1.00 0.00 C ATOM 969 C PRO A 66 -5.749 5.890 -0.286 1.00 0.00 C ATOM 970 O PRO A 66 -4.605 6.175 -0.638 1.00 0.00 O ATOM 971 CB PRO A 66 -6.572 7.803 1.115 1.00 0.00 C ATOM 972 CG PRO A 66 -5.339 8.427 1.673 1.00 0.00 C ATOM 973 CD PRO A 66 -4.778 7.432 2.651 1.00 0.00 C ATOM 0 HA PRO A 66 -7.144 5.675 1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.790 8.182 0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.441 8.020 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.620 8.646 0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.568 9.372 2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.689 7.470 2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.133 7.620 3.664 1.00 0.00 H new ATOM 981 N PHE A 67 -6.597 5.218 -1.057 1.00 0.00 N ATOM 982 CA PHE A 67 -6.222 4.765 -2.391 1.00 0.00 C ATOM 983 C PHE A 67 -6.268 5.918 -3.390 1.00 0.00 C ATOM 984 O PHE A 67 -5.669 5.850 -4.464 1.00 0.00 O ATOM 985 CB PHE A 67 -7.152 3.640 -2.852 1.00 0.00 C ATOM 986 CG PHE A 67 -8.413 4.134 -3.502 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.392 4.766 -2.753 1.00 0.00 C ATOM 988 CD2 PHE A 67 -8.620 3.964 -4.861 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.554 5.222 -3.348 1.00 0.00 C ATOM 990 CE2 PHE A 67 -9.779 4.418 -5.461 1.00 0.00 C ATOM 991 CZ PHE A 67 -10.748 5.046 -4.704 1.00 0.00 C ATOM 0 H PHE A 67 -7.548 4.975 -0.781 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.201 4.387 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.616 3.002 -3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.413 3.021 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.246 4.904 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.867 3.471 -5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.309 5.715 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.927 4.282 -6.522 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.656 5.399 -5.171 1.00 0.00 H new ATOM 1001 N THR A 68 -6.983 6.979 -3.028 1.00 0.00 N ATOM 1002 CA THR A 68 -7.109 8.146 -3.890 1.00 0.00 C ATOM 1003 C THR A 68 -5.834 8.981 -3.876 1.00 0.00 C ATOM 1004 O THR A 68 -5.712 9.960 -4.613 1.00 0.00 O ATOM 1005 CB THR A 68 -8.295 9.033 -3.465 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.171 10.333 -4.055 1.00 0.00 O ATOM 1007 CG2 THR A 68 -8.359 9.162 -1.951 1.00 0.00 C ATOM 0 H THR A 68 -7.484 7.053 -2.142 1.00 0.00 H new ATOM 0 HA THR A 68 -7.286 7.775 -4.900 1.00 0.00 H new ATOM 0 HB THR A 68 -9.215 8.563 -3.813 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.417 10.337 -4.682 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.204 9.793 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.483 8.174 -1.507 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.436 9.612 -1.585 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.885 8.588 -3.032 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.616 9.301 -2.923 1.00 0.00 C ATOM 1017 C HIS A 69 -2.509 8.555 -3.662 1.00 0.00 C ATOM 1018 O HIS A 69 -1.497 9.144 -4.043 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.234 9.481 -1.454 1.00 0.00 C ATOM 1020 CG HIS A 69 -4.067 10.499 -0.738 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -3.813 10.905 0.555 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -5.155 11.196 -1.143 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -4.709 11.806 0.915 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -5.535 12.001 -0.097 1.00 0.00 N ATOM 0 H HIS A 69 -4.970 7.781 -2.414 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.737 10.282 -3.382 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.328 8.523 -0.943 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.186 9.774 -1.393 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.635 11.131 -2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.758 12.300 1.874 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.326 12.645 -0.101 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.707 7.256 -3.860 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.726 6.430 -4.553 1.00 0.00 C ATOM 1035 C VAL A 70 -2.335 5.772 -5.787 1.00 0.00 C ATOM 1036 O VAL A 70 -3.542 5.540 -5.849 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.160 5.335 -3.629 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.410 5.958 -2.462 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.276 4.428 -3.133 1.00 0.00 C ATOM 0 H VAL A 70 -3.538 6.753 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.916 7.092 -4.859 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.457 4.729 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.017 5.170 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.414 6.563 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.089 6.589 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.858 3.660 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.005 5.018 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.766 3.955 -3.984 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.490 5.474 -6.769 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.943 4.841 -8.002 1.00 0.00 C ATOM 1051 C LYS A 71 -1.302 3.468 -8.176 1.00 0.00 C ATOM 1052 O LYS A 71 -0.110 3.293 -7.920 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.611 5.727 -9.205 1.00 0.00 C ATOM 1054 CG LYS A 71 -0.213 5.507 -9.755 1.00 0.00 C ATOM 1055 CD LYS A 71 0.132 6.529 -10.826 1.00 0.00 C ATOM 1056 CE LYS A 71 -0.498 6.169 -12.163 1.00 0.00 C ATOM 1057 NZ LYS A 71 0.343 5.211 -12.933 1.00 0.00 N ATOM 0 H LYS A 71 -0.488 5.661 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.024 4.712 -7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.337 5.539 -9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.718 6.773 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.512 5.570 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.139 4.503 -10.172 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.212 7.515 -10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.215 6.590 -10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.483 5.733 -11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.646 7.075 -12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.121 4.991 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.274 5.636 -13.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.464 4.336 -12.384 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.098 2.500 -8.615 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.607 1.144 -8.825 1.00 0.00 C ATOM 1073 C ILE A 72 -0.727 1.065 -10.068 1.00 0.00 C ATOM 1074 O ILE A 72 -1.208 1.203 -11.193 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.767 0.140 -8.967 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.635 0.150 -7.707 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.228 -1.257 -9.235 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.851 -0.067 -6.431 1.00 0.00 C ATOM 0 H ILE A 72 -3.086 2.629 -8.832 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.017 0.883 -7.947 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.385 0.438 -9.814 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.159 1.104 -7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.395 -0.626 -7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.059 -1.955 -9.333 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.648 -1.252 -10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.590 -1.566 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.530 -0.048 -5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.349 -1.033 -6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.109 0.724 -6.321 1.00 0.00 H new ATOM 1090 N PHE A 73 0.566 0.840 -9.857 1.00 0.00 N ATOM 1091 CA PHE A 73 1.515 0.742 -10.961 1.00 0.00 C ATOM 1092 C PHE A 73 2.172 -0.635 -10.992 1.00 0.00 C ATOM 1093 O PHE A 73 2.040 -1.419 -10.052 1.00 0.00 O ATOM 1094 CB PHE A 73 2.586 1.828 -10.839 1.00 0.00 C ATOM 1095 CG PHE A 73 3.684 1.481 -9.876 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.426 1.372 -8.519 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.976 1.264 -10.327 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.435 1.052 -7.630 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.989 0.943 -9.443 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.718 0.839 -8.093 1.00 0.00 C ATOM 0 H PHE A 73 0.981 0.722 -8.933 1.00 0.00 H new ATOM 0 HA PHE A 73 0.967 0.885 -11.892 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.020 2.011 -11.822 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.115 2.758 -10.521 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.424 1.539 -8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.194 1.347 -11.382 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.220 0.969 -6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.991 0.774 -9.808 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.509 0.591 -7.400 1.00 0.00 H new ATOM 1110 N ASP A 74 2.879 -0.922 -12.079 1.00 0.00 N ATOM 1111 CA ASP A 74 3.557 -2.204 -12.234 1.00 0.00 C ATOM 1112 C ASP A 74 5.068 -2.038 -12.100 1.00 0.00 C ATOM 1113 O ASP A 74 5.780 -1.801 -13.075 1.00 0.00 O ATOM 1114 CB ASP A 74 3.218 -2.824 -13.590 1.00 0.00 C ATOM 1115 CG ASP A 74 1.940 -3.638 -13.551 1.00 0.00 C ATOM 1116 OD1 ASP A 74 0.898 -3.086 -13.142 1.00 0.00 O ATOM 1117 OD2 ASP A 74 1.982 -4.828 -13.929 1.00 0.00 O ATOM 0 H ASP A 74 2.998 -0.284 -12.866 1.00 0.00 H new ATOM 0 HA ASP A 74 3.210 -2.869 -11.443 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.119 -2.033 -14.333 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.042 -3.462 -13.911 1.00 0.00 H new