USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 570 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 80 GLN : amide:sc= -0.887 K(o=-1.2,f=-3.3!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.282 K(o=-1.2,f=-2.1) USER MOD Set 2.1: A 26 CYS SG : rot 174:sc= -3.84! USER MOD Set 2.2: A 28 HIS : no HE2:sc= -4.83! C(o=-9.5!,f=-16!) USER MOD Set 2.3: A 53 TYR OH : rot 40:sc= -0.855 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.281 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= -0.0346 (180deg=-0.758) USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= -0.224 (180deg=-0.809) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.382) USER MOD Single : A 49 TYR OH : rot 100:sc= -0.204 USER MOD Single : A 52 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.0023) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.101) USER MOD Single : A 72 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 76 ASN : amide:sc= -2.03 K(o=-2,f=-1.2) USER MOD Single : A 78 GLN : amide:sc= -3.22! C(o=-3.2!,f=-8.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 7.407 18.318 3.576 1.00 0.00 N ATOM 159 CA PRO A 14 8.285 17.147 3.673 1.00 0.00 C ATOM 160 C PRO A 14 8.432 16.422 2.339 1.00 0.00 C ATOM 161 O PRO A 14 7.873 16.843 1.326 1.00 0.00 O ATOM 162 CB PRO A 14 7.573 16.254 4.692 1.00 0.00 C ATOM 163 CG PRO A 14 6.139 16.648 4.605 1.00 0.00 C ATOM 164 CD PRO A 14 6.132 18.117 4.284 1.00 0.00 C ATOM 0 HA PRO A 14 9.300 17.420 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.708 15.198 4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.966 16.409 5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.624 16.077 3.832 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.623 16.451 5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.280 18.388 3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.073 18.725 5.187 1.00 0.00 H new ATOM 172 N LYS A 15 9.189 15.329 2.346 1.00 0.00 N ATOM 173 CA LYS A 15 9.409 14.543 1.138 1.00 0.00 C ATOM 174 C LYS A 15 9.090 13.072 1.381 1.00 0.00 C ATOM 175 O LYS A 15 9.393 12.511 2.434 1.00 0.00 O ATOM 176 CB LYS A 15 10.857 14.691 0.666 1.00 0.00 C ATOM 177 CG LYS A 15 11.153 13.953 -0.628 1.00 0.00 C ATOM 178 CD LYS A 15 12.648 13.793 -0.849 1.00 0.00 C ATOM 179 CE LYS A 15 12.947 13.143 -2.192 1.00 0.00 C ATOM 180 NZ LYS A 15 12.795 14.104 -3.319 1.00 0.00 N ATOM 0 H LYS A 15 9.660 14.968 3.175 1.00 0.00 H new ATOM 0 HA LYS A 15 8.741 14.918 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.080 15.749 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.524 14.323 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.681 12.971 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.716 14.496 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.130 14.769 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.072 13.188 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.963 12.748 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.277 12.297 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.007 13.623 -4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.819 14.462 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.453 14.899 -3.188 1.00 0.00 H new ATOM 194 N PRO A 16 8.464 12.429 0.383 1.00 0.00 N ATOM 195 CA PRO A 16 8.092 11.013 0.464 1.00 0.00 C ATOM 196 C PRO A 16 9.306 10.092 0.428 1.00 0.00 C ATOM 197 O PRO A 16 10.324 10.412 -0.187 1.00 0.00 O ATOM 198 CB PRO A 16 7.224 10.803 -0.779 1.00 0.00 C ATOM 199 CG PRO A 16 7.675 11.850 -1.737 1.00 0.00 C ATOM 200 CD PRO A 16 8.072 13.035 -0.901 1.00 0.00 C ATOM 0 HA PRO A 16 7.585 10.778 1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.360 9.804 -1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.165 10.910 -0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.515 11.496 -2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.877 12.113 -2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.896 13.588 -1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.246 13.736 -0.779 1.00 0.00 H new ATOM 208 N LYS A 17 9.193 8.945 1.090 1.00 0.00 N ATOM 209 CA LYS A 17 10.281 7.975 1.132 1.00 0.00 C ATOM 210 C LYS A 17 10.194 7.009 -0.045 1.00 0.00 C ATOM 211 O LYS A 17 11.212 6.616 -0.615 1.00 0.00 O ATOM 212 CB LYS A 17 10.247 7.197 2.449 1.00 0.00 C ATOM 213 CG LYS A 17 10.602 8.038 3.662 1.00 0.00 C ATOM 214 CD LYS A 17 10.736 7.185 4.913 1.00 0.00 C ATOM 215 CE LYS A 17 12.147 6.638 5.066 1.00 0.00 C ATOM 216 NZ LYS A 17 12.471 6.331 6.487 1.00 0.00 N ATOM 0 H LYS A 17 8.358 8.665 1.605 1.00 0.00 H new ATOM 0 HA LYS A 17 11.223 8.519 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.251 6.777 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.940 6.358 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.538 8.566 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.834 8.796 3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.478 7.780 5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.027 6.358 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.253 5.734 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.862 7.364 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.441 5.961 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.394 7.198 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.805 5.619 6.849 1.00 0.00 H new ATOM 230 N PHE A 18 8.972 6.629 -0.404 1.00 0.00 N ATOM 231 CA PHE A 18 8.753 5.709 -1.513 1.00 0.00 C ATOM 232 C PHE A 18 8.532 6.471 -2.817 1.00 0.00 C ATOM 233 O PHE A 18 8.348 7.688 -2.812 1.00 0.00 O ATOM 234 CB PHE A 18 7.550 4.808 -1.226 1.00 0.00 C ATOM 235 CG PHE A 18 7.592 4.167 0.132 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.234 4.884 1.262 1.00 0.00 C ATOM 237 CD2 PHE A 18 7.988 2.848 0.278 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.272 4.297 2.513 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.028 2.255 1.526 1.00 0.00 C ATOM 240 CZ PHE A 18 7.669 2.980 2.644 1.00 0.00 C ATOM 0 H PHE A 18 8.119 6.944 0.057 1.00 0.00 H new ATOM 0 HA PHE A 18 9.644 5.091 -1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.637 5.396 -1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.501 4.028 -1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.922 5.913 1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.269 2.276 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.992 4.867 3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.340 1.226 1.626 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.698 2.519 3.620 1.00 0.00 H new ATOM 250 N GLN A 19 8.551 5.745 -3.930 1.00 0.00 N ATOM 251 CA GLN A 19 8.355 6.353 -5.241 1.00 0.00 C ATOM 252 C GLN A 19 7.281 5.610 -6.030 1.00 0.00 C ATOM 253 O GLN A 19 6.987 4.448 -5.752 1.00 0.00 O ATOM 254 CB GLN A 19 9.668 6.360 -6.026 1.00 0.00 C ATOM 255 CG GLN A 19 10.134 4.975 -6.443 1.00 0.00 C ATOM 256 CD GLN A 19 11.530 4.982 -7.034 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.521 4.849 -6.315 1.00 0.00 O ATOM 258 NE2 GLN A 19 11.616 5.139 -8.350 1.00 0.00 N ATOM 0 H GLN A 19 8.700 4.736 -3.950 1.00 0.00 H new ATOM 0 HA GLN A 19 8.025 7.381 -5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.546 6.977 -6.916 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.443 6.827 -5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.113 4.313 -5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.436 4.566 -7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.768 5.246 -8.907 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.530 5.153 -8.803 1.00 0.00 H new ATOM 267 N GLU A 20 6.699 6.290 -7.013 1.00 0.00 N ATOM 268 CA GLU A 20 5.657 5.693 -7.841 1.00 0.00 C ATOM 269 C GLU A 20 6.217 4.546 -8.677 1.00 0.00 C ATOM 270 O GLU A 20 7.248 4.688 -9.334 1.00 0.00 O ATOM 271 CB GLU A 20 5.035 6.750 -8.756 1.00 0.00 C ATOM 272 CG GLU A 20 4.333 7.869 -8.004 1.00 0.00 C ATOM 273 CD GLU A 20 4.319 9.173 -8.778 1.00 0.00 C ATOM 274 OE1 GLU A 20 4.062 9.136 -9.999 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.566 10.230 -8.161 1.00 0.00 O ATOM 0 H GLU A 20 6.931 7.253 -7.255 1.00 0.00 H new ATOM 0 HA GLU A 20 4.886 5.295 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.816 7.180 -9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.320 6.267 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.308 7.569 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.829 8.025 -7.046 1.00 0.00 H new ATOM 282 N GLY A 21 5.529 3.409 -8.647 1.00 0.00 N ATOM 283 CA GLY A 21 5.972 2.254 -9.406 1.00 0.00 C ATOM 284 C GLY A 21 6.758 1.272 -8.560 1.00 0.00 C ATOM 285 O GLY A 21 6.830 0.086 -8.881 1.00 0.00 O ATOM 0 H GLY A 21 4.673 3.267 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.105 1.749 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.590 2.586 -10.240 1.00 0.00 H new ATOM 289 N GLU A 22 7.349 1.767 -7.477 1.00 0.00 N ATOM 290 CA GLU A 22 8.136 0.923 -6.584 1.00 0.00 C ATOM 291 C GLU A 22 7.229 0.073 -5.700 1.00 0.00 C ATOM 292 O GLU A 22 6.394 0.597 -4.963 1.00 0.00 O ATOM 293 CB GLU A 22 9.055 1.783 -5.714 1.00 0.00 C ATOM 294 CG GLU A 22 9.720 1.012 -4.585 1.00 0.00 C ATOM 295 CD GLU A 22 10.877 1.770 -3.964 1.00 0.00 C ATOM 296 OE1 GLU A 22 10.708 2.972 -3.669 1.00 0.00 O ATOM 297 OE2 GLU A 22 11.951 1.162 -3.773 1.00 0.00 O ATOM 0 H GLU A 22 7.298 2.746 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 22 8.745 0.257 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.826 2.227 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.477 2.604 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.980 0.791 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.079 0.056 -4.965 1.00 0.00 H new ATOM 304 N ARG A 23 7.400 -1.243 -5.779 1.00 0.00 N ATOM 305 CA ARG A 23 6.597 -2.167 -4.988 1.00 0.00 C ATOM 306 C ARG A 23 6.611 -1.775 -3.514 1.00 0.00 C ATOM 307 O ARG A 23 7.621 -1.296 -2.998 1.00 0.00 O ATOM 308 CB ARG A 23 7.115 -3.597 -5.152 1.00 0.00 C ATOM 309 CG ARG A 23 6.089 -4.661 -4.802 1.00 0.00 C ATOM 310 CD ARG A 23 6.662 -6.061 -4.957 1.00 0.00 C ATOM 311 NE ARG A 23 7.643 -6.369 -3.920 1.00 0.00 N ATOM 312 CZ ARG A 23 8.561 -7.322 -4.037 1.00 0.00 C ATOM 313 NH1 ARG A 23 8.623 -8.056 -5.139 1.00 0.00 N ATOM 314 NH2 ARG A 23 9.420 -7.542 -3.049 1.00 0.00 N ATOM 0 H ARG A 23 8.088 -1.693 -6.383 1.00 0.00 H new ATOM 0 HA ARG A 23 5.570 -2.117 -5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.438 -3.741 -6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.994 -3.730 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.750 -4.517 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.216 -4.551 -5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.853 -6.790 -4.918 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.129 -6.155 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 23 7.622 -5.823 -3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.965 -7.890 -5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.329 -8.787 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.375 -6.979 -2.200 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.125 -8.274 -3.139 1.00 0.00 H new ATOM 328 N VAL A 24 5.484 -1.981 -2.840 1.00 0.00 N ATOM 329 CA VAL A 24 5.367 -1.650 -1.425 1.00 0.00 C ATOM 330 C VAL A 24 4.197 -2.386 -0.783 1.00 0.00 C ATOM 331 O VAL A 24 3.302 -2.875 -1.474 1.00 0.00 O ATOM 332 CB VAL A 24 5.182 -0.135 -1.217 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.436 0.618 -1.634 1.00 0.00 C ATOM 334 CG2 VAL A 24 3.969 0.364 -1.986 1.00 0.00 C ATOM 0 H VAL A 24 4.638 -2.376 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 24 6.296 -1.965 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 24 5.012 0.051 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.287 1.687 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.280 0.279 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.641 0.428 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.854 1.436 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.106 0.167 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.077 -0.153 -1.633 1.00 0.00 H new ATOM 344 N LEU A 25 4.209 -2.462 0.543 1.00 0.00 N ATOM 345 CA LEU A 25 3.147 -3.139 1.280 1.00 0.00 C ATOM 346 C LEU A 25 2.266 -2.133 2.013 1.00 0.00 C ATOM 347 O LEU A 25 2.761 -1.280 2.750 1.00 0.00 O ATOM 348 CB LEU A 25 3.746 -4.132 2.278 1.00 0.00 C ATOM 349 CG LEU A 25 4.680 -5.192 1.693 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.526 -5.821 2.789 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.882 -6.257 0.955 1.00 0.00 C ATOM 0 H LEU A 25 4.942 -2.064 1.130 1.00 0.00 H new ATOM 0 HA LEU A 25 2.529 -3.680 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.295 -3.570 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.928 -4.640 2.790 1.00 0.00 H new ATOM 0 HG LEU A 25 5.347 -4.708 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.184 -6.573 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.125 -5.050 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.875 -6.291 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.563 -7.003 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.190 -6.738 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.320 -5.794 0.144 1.00 0.00 H new ATOM 363 N CYS A 26 0.958 -2.240 1.806 1.00 0.00 N ATOM 364 CA CYS A 26 0.006 -1.340 2.448 1.00 0.00 C ATOM 365 C CYS A 26 -0.739 -2.050 3.574 1.00 0.00 C ATOM 366 O CYS A 26 -0.905 -3.269 3.550 1.00 0.00 O ATOM 367 CB CYS A 26 -0.990 -0.801 1.421 1.00 0.00 C ATOM 368 SG CYS A 26 -2.478 -0.074 2.148 1.00 0.00 S ATOM 0 H CYS A 26 0.533 -2.941 1.199 1.00 0.00 H new ATOM 0 HA CYS A 26 0.563 -0.506 2.875 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.493 -0.049 0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.283 -1.612 0.754 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.198 0.468 1.211 1.00 0.00 H new ATOM 374 N PHE A 27 -1.184 -1.278 4.561 1.00 0.00 N ATOM 375 CA PHE A 27 -1.909 -1.833 5.697 1.00 0.00 C ATOM 376 C PHE A 27 -3.399 -1.520 5.597 1.00 0.00 C ATOM 377 O PHE A 27 -3.829 -0.400 5.872 1.00 0.00 O ATOM 378 CB PHE A 27 -1.347 -1.279 7.008 1.00 0.00 C ATOM 379 CG PHE A 27 -0.215 -2.093 7.567 1.00 0.00 C ATOM 380 CD1 PHE A 27 -0.412 -3.411 7.944 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.047 -1.539 7.715 1.00 0.00 C ATOM 382 CE1 PHE A 27 0.627 -4.163 8.459 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.090 -2.287 8.228 1.00 0.00 C ATOM 384 CZ PHE A 27 1.880 -3.600 8.601 1.00 0.00 C ATOM 0 H PHE A 27 -1.055 -0.267 4.596 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.781 -2.915 5.684 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.003 -0.258 6.844 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.148 -1.231 7.746 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.390 -3.857 7.834 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.217 -0.512 7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.459 -5.189 8.750 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.069 -1.845 8.337 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.694 -4.185 9.003 1.00 0.00 H new ATOM 394 N HIS A 28 -4.182 -2.519 5.202 1.00 0.00 N ATOM 395 CA HIS A 28 -5.625 -2.351 5.065 1.00 0.00 C ATOM 396 C HIS A 28 -6.363 -3.042 6.208 1.00 0.00 C ATOM 397 O HIS A 28 -7.583 -2.941 6.322 1.00 0.00 O ATOM 398 CB HIS A 28 -6.099 -2.911 3.724 1.00 0.00 C ATOM 399 CG HIS A 28 -7.315 -2.222 3.184 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.730 -2.343 1.875 1.00 0.00 N ATOM 401 CD2 HIS A 28 -8.208 -1.402 3.786 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.825 -1.626 1.694 1.00 0.00 C ATOM 403 NE2 HIS A 28 -9.136 -1.046 2.838 1.00 0.00 N ATOM 0 H HIS A 28 -3.842 -3.453 4.971 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.848 -1.285 5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -5.291 -2.826 2.998 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.314 -3.973 3.839 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -7.264 -2.899 1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.194 -1.087 4.819 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.372 -1.531 0.768 1.00 0.00 H new ATOM 412 N GLY A 29 -5.613 -3.745 7.051 1.00 0.00 N ATOM 413 CA GLY A 29 -6.213 -4.444 8.173 1.00 0.00 C ATOM 414 C GLY A 29 -5.194 -5.214 8.989 1.00 0.00 C ATOM 415 O GLY A 29 -4.010 -4.880 9.017 1.00 0.00 O ATOM 0 H GLY A 29 -4.600 -3.843 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.720 -3.725 8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.973 -5.132 7.804 1.00 0.00 H new ATOM 419 N PRO A 30 -5.656 -6.270 9.674 1.00 0.00 N ATOM 420 CA PRO A 30 -4.793 -7.111 10.509 1.00 0.00 C ATOM 421 C PRO A 30 -3.823 -7.948 9.681 1.00 0.00 C ATOM 422 O PRO A 30 -3.066 -8.755 10.221 1.00 0.00 O ATOM 423 CB PRO A 30 -5.784 -8.015 11.247 1.00 0.00 C ATOM 424 CG PRO A 30 -6.980 -8.068 10.361 1.00 0.00 C ATOM 425 CD PRO A 30 -7.056 -6.726 9.687 1.00 0.00 C ATOM 0 HA PRO A 30 -4.163 -6.517 11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.368 -9.009 11.410 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.035 -7.610 12.227 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.887 -8.869 9.627 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.884 -8.267 10.937 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.462 -6.805 8.679 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.698 -6.037 10.236 1.00 0.00 H new ATOM 433 N LEU A 31 -3.851 -7.750 8.368 1.00 0.00 N ATOM 434 CA LEU A 31 -2.973 -8.487 7.464 1.00 0.00 C ATOM 435 C LEU A 31 -2.406 -7.568 6.387 1.00 0.00 C ATOM 436 O LEU A 31 -3.019 -6.562 6.028 1.00 0.00 O ATOM 437 CB LEU A 31 -3.733 -9.644 6.815 1.00 0.00 C ATOM 438 CG LEU A 31 -4.139 -10.787 7.746 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.396 -11.473 7.233 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.003 -11.790 7.888 1.00 0.00 C ATOM 0 H LEU A 31 -4.471 -7.086 7.905 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.144 -8.887 8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.634 -9.245 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.116 -10.055 6.016 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.353 -10.369 8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.670 -12.284 7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.211 -10.751 7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.210 -11.877 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.310 -12.596 8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.757 -12.202 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.127 -11.291 8.302 1.00 0.00 H new ATOM 452 N LEU A 32 -1.232 -7.921 5.874 1.00 0.00 N ATOM 453 CA LEU A 32 -0.582 -7.130 4.835 1.00 0.00 C ATOM 454 C LEU A 32 -0.937 -7.655 3.448 1.00 0.00 C ATOM 455 O LEU A 32 -1.041 -8.864 3.239 1.00 0.00 O ATOM 456 CB LEU A 32 0.935 -7.148 5.027 1.00 0.00 C ATOM 457 CG LEU A 32 1.506 -6.078 5.959 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.979 -6.341 6.234 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.313 -4.692 5.362 1.00 0.00 C ATOM 0 H LEU A 32 -0.711 -8.750 6.161 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.940 -6.104 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.221 -8.127 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.406 -7.040 4.050 1.00 0.00 H new ATOM 0 HG LEU A 32 0.967 -6.122 6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.368 -5.570 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.093 -7.317 6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.533 -6.324 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.725 -3.944 6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.826 -4.635 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.249 -4.503 5.217 1.00 0.00 H new ATOM 471 N TYR A 33 -1.120 -6.740 2.503 1.00 0.00 N ATOM 472 CA TYR A 33 -1.463 -7.111 1.135 1.00 0.00 C ATOM 473 C TYR A 33 -0.487 -6.489 0.141 1.00 0.00 C ATOM 474 O TYR A 33 -0.077 -5.339 0.294 1.00 0.00 O ATOM 475 CB TYR A 33 -2.891 -6.671 0.808 1.00 0.00 C ATOM 476 CG TYR A 33 -3.925 -7.206 1.773 1.00 0.00 C ATOM 477 CD1 TYR A 33 -4.157 -6.580 2.991 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.670 -8.338 1.465 1.00 0.00 C ATOM 479 CE1 TYR A 33 -5.101 -7.066 3.876 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.617 -8.830 2.343 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.828 -8.191 3.547 1.00 0.00 C ATOM 482 OH TYR A 33 -6.770 -8.677 4.425 1.00 0.00 O ATOM 0 H TYR A 33 -1.037 -5.735 2.659 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.396 -8.196 1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.936 -5.582 0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.142 -7.001 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.590 -5.698 3.251 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.506 -8.842 0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.268 -6.568 4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.189 -9.710 2.088 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.194 -9.473 4.042 1.00 0.00 H new ATOM 492 N GLU A 34 -0.120 -7.259 -0.878 1.00 0.00 N ATOM 493 CA GLU A 34 0.808 -6.784 -1.898 1.00 0.00 C ATOM 494 C GLU A 34 0.211 -5.613 -2.674 1.00 0.00 C ATOM 495 O GLU A 34 -0.931 -5.673 -3.127 1.00 0.00 O ATOM 496 CB GLU A 34 1.166 -7.918 -2.861 1.00 0.00 C ATOM 497 CG GLU A 34 1.984 -7.465 -4.058 1.00 0.00 C ATOM 498 CD GLU A 34 1.979 -8.478 -5.186 1.00 0.00 C ATOM 499 OE1 GLU A 34 0.881 -8.928 -5.576 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.074 -8.821 -5.680 1.00 0.00 O ATOM 0 H GLU A 34 -0.451 -8.214 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 34 1.714 -6.442 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.724 -8.681 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.247 -8.386 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.590 -6.517 -4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.011 -7.283 -3.743 1.00 0.00 H new ATOM 507 N ALA A 35 0.994 -4.549 -2.822 1.00 0.00 N ATOM 508 CA ALA A 35 0.544 -3.365 -3.543 1.00 0.00 C ATOM 509 C ALA A 35 1.726 -2.585 -4.108 1.00 0.00 C ATOM 510 O ALA A 35 2.883 -2.907 -3.837 1.00 0.00 O ATOM 511 CB ALA A 35 -0.290 -2.477 -2.632 1.00 0.00 C ATOM 0 H ALA A 35 1.942 -4.483 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.075 -3.692 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.619 -1.597 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.160 -3.031 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.311 -2.166 -1.778 1.00 0.00 H new ATOM 517 N LYS A 36 1.429 -1.557 -4.896 1.00 0.00 N ATOM 518 CA LYS A 36 2.466 -0.730 -5.500 1.00 0.00 C ATOM 519 C LYS A 36 2.092 0.748 -5.431 1.00 0.00 C ATOM 520 O LYS A 36 0.922 1.108 -5.559 1.00 0.00 O ATOM 521 CB LYS A 36 2.693 -1.142 -6.956 1.00 0.00 C ATOM 522 CG LYS A 36 3.631 -0.216 -7.711 1.00 0.00 C ATOM 523 CD LYS A 36 2.875 0.919 -8.380 1.00 0.00 C ATOM 524 CE LYS A 36 2.282 0.485 -9.712 1.00 0.00 C ATOM 525 NZ LYS A 36 1.251 1.443 -10.198 1.00 0.00 N ATOM 0 H LYS A 36 0.477 -1.277 -5.131 1.00 0.00 H new ATOM 0 HA LYS A 36 3.388 -0.880 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.098 -2.154 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.733 -1.171 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.371 0.194 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.177 -0.784 -8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.078 1.265 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.547 1.762 -8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.077 0.400 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.837 -0.505 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.871 1.112 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.480 1.505 -9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.681 2.382 -10.323 1.00 0.00 H new ATOM 539 N CYS A 37 3.093 1.598 -5.230 1.00 0.00 N ATOM 540 CA CYS A 37 2.869 3.036 -5.146 1.00 0.00 C ATOM 541 C CYS A 37 2.335 3.582 -6.466 1.00 0.00 C ATOM 542 O CYS A 37 3.056 3.645 -7.461 1.00 0.00 O ATOM 543 CB CYS A 37 4.167 3.754 -4.771 1.00 0.00 C ATOM 544 SG CYS A 37 3.968 5.525 -4.465 1.00 0.00 S ATOM 0 H CYS A 37 4.067 1.316 -5.122 1.00 0.00 H new ATOM 0 HA CYS A 37 2.124 3.218 -4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.584 3.286 -3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.892 3.614 -5.573 1.00 0.00 H new ATOM 0 HG CYS A 37 5.119 6.044 -4.154 1.00 0.00 H new ATOM 550 N VAL A 38 1.065 3.974 -6.468 1.00 0.00 N ATOM 551 CA VAL A 38 0.433 4.514 -7.665 1.00 0.00 C ATOM 552 C VAL A 38 0.652 6.019 -7.772 1.00 0.00 C ATOM 553 O VAL A 38 0.887 6.549 -8.858 1.00 0.00 O ATOM 554 CB VAL A 38 -1.080 4.225 -7.681 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.657 4.474 -9.066 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.353 2.798 -7.229 1.00 0.00 C ATOM 0 H VAL A 38 0.453 3.927 -5.653 1.00 0.00 H new ATOM 0 HA VAL A 38 0.899 4.020 -8.518 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.570 4.904 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.727 4.265 -9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.493 5.514 -9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.165 3.822 -9.788 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.427 2.610 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.852 2.101 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.976 2.659 -6.216 1.00 0.00 H new ATOM 566 N LYS A 39 0.576 6.704 -6.636 1.00 0.00 N ATOM 567 CA LYS A 39 0.767 8.149 -6.599 1.00 0.00 C ATOM 568 C LYS A 39 1.301 8.593 -5.241 1.00 0.00 C ATOM 569 O LYS A 39 1.235 7.848 -4.263 1.00 0.00 O ATOM 570 CB LYS A 39 -0.550 8.867 -6.900 1.00 0.00 C ATOM 571 CG LYS A 39 -1.061 8.634 -8.312 1.00 0.00 C ATOM 572 CD LYS A 39 -2.467 9.180 -8.493 1.00 0.00 C ATOM 573 CE LYS A 39 -3.073 8.733 -9.815 1.00 0.00 C ATOM 574 NZ LYS A 39 -2.577 9.550 -10.957 1.00 0.00 N ATOM 0 H LYS A 39 0.383 6.281 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 39 1.500 8.412 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.306 8.534 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.415 9.937 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.390 9.111 -9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.053 7.566 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.098 8.844 -7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.444 10.269 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.833 7.684 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.159 8.807 -9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.013 9.214 -11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.828 10.548 -10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.543 9.459 -11.026 1.00 0.00 H new ATOM 588 N VAL A 40 1.829 9.812 -5.187 1.00 0.00 N ATOM 589 CA VAL A 40 2.372 10.355 -3.948 1.00 0.00 C ATOM 590 C VAL A 40 1.914 11.794 -3.732 1.00 0.00 C ATOM 591 O VAL A 40 2.361 12.708 -4.423 1.00 0.00 O ATOM 592 CB VAL A 40 3.912 10.312 -3.943 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.463 11.064 -2.741 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.404 8.873 -3.953 1.00 0.00 C ATOM 0 H VAL A 40 1.892 10.442 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 40 1.996 9.731 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 40 4.275 10.803 -4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.552 11.023 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.139 12.104 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.094 10.605 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.494 8.861 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.032 8.355 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.039 8.370 -4.848 1.00 0.00 H new ATOM 604 N ALA A 41 1.021 11.986 -2.767 1.00 0.00 N ATOM 605 CA ALA A 41 0.504 13.313 -2.457 1.00 0.00 C ATOM 606 C ALA A 41 0.852 13.718 -1.029 1.00 0.00 C ATOM 607 O ALA A 41 1.130 12.868 -0.183 1.00 0.00 O ATOM 608 CB ALA A 41 -1.002 13.356 -2.668 1.00 0.00 C ATOM 0 H ALA A 41 0.640 11.239 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 41 0.975 14.026 -3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.374 14.353 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.231 13.119 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.482 12.626 -2.016 1.00 0.00 H new ATOM 614 N ILE A 42 0.836 15.021 -0.768 1.00 0.00 N ATOM 615 CA ILE A 42 1.149 15.538 0.559 1.00 0.00 C ATOM 616 C ILE A 42 0.175 16.639 0.964 1.00 0.00 C ATOM 617 O ILE A 42 0.123 17.699 0.339 1.00 0.00 O ATOM 618 CB ILE A 42 2.585 16.089 0.623 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.594 14.984 0.306 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.862 16.689 1.994 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.956 15.505 -0.095 1.00 0.00 C ATOM 0 H ILE A 42 0.610 15.738 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 42 1.058 14.703 1.253 1.00 0.00 H new ATOM 0 HB ILE A 42 2.689 16.876 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.703 14.341 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.200 14.364 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.881 17.074 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.161 17.502 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.742 15.921 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.619 14.666 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.861 16.124 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.371 16.101 0.718 1.00 0.00 H new ATOM 633 N LYS A 43 -0.596 16.382 2.015 1.00 0.00 N ATOM 634 CA LYS A 43 -1.567 17.351 2.508 1.00 0.00 C ATOM 635 C LYS A 43 -1.779 17.194 4.010 1.00 0.00 C ATOM 636 O LYS A 43 -1.203 16.305 4.638 1.00 0.00 O ATOM 637 CB LYS A 43 -2.900 17.186 1.775 1.00 0.00 C ATOM 638 CG LYS A 43 -3.432 15.764 1.792 1.00 0.00 C ATOM 639 CD LYS A 43 -4.951 15.735 1.745 1.00 0.00 C ATOM 640 CE LYS A 43 -5.466 15.804 0.316 1.00 0.00 C ATOM 641 NZ LYS A 43 -5.382 17.184 -0.238 1.00 0.00 N ATOM 0 H LYS A 43 -0.567 15.509 2.542 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.175 18.350 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.639 17.847 2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.778 17.507 0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.030 15.214 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.085 15.256 2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.313 14.823 2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.350 16.573 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.888 15.125 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.501 15.463 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.099 17.304 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.552 17.874 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.436 17.339 -0.642 1.00 0.00 H new ATOM 655 N ASP A 44 -2.608 18.061 4.580 1.00 0.00 N ATOM 656 CA ASP A 44 -2.898 18.017 6.009 1.00 0.00 C ATOM 657 C ASP A 44 -1.625 17.775 6.814 1.00 0.00 C ATOM 658 O ASP A 44 -1.655 17.136 7.866 1.00 0.00 O ATOM 659 CB ASP A 44 -3.922 16.922 6.309 1.00 0.00 C ATOM 660 CG ASP A 44 -5.350 17.414 6.184 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.692 18.419 6.842 1.00 0.00 O ATOM 662 OD2 ASP A 44 -6.127 16.796 5.426 1.00 0.00 O ATOM 0 H ASP A 44 -3.092 18.803 4.075 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.313 18.982 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.767 16.087 5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.759 16.543 7.318 1.00 0.00 H new ATOM 667 N LYS A 45 -0.507 18.289 6.313 1.00 0.00 N ATOM 668 CA LYS A 45 0.777 18.130 6.984 1.00 0.00 C ATOM 669 C LYS A 45 1.161 16.657 7.082 1.00 0.00 C ATOM 670 O LYS A 45 1.676 16.209 8.106 1.00 0.00 O ATOM 671 CB LYS A 45 0.725 18.749 8.383 1.00 0.00 C ATOM 672 CG LYS A 45 0.882 20.260 8.386 1.00 0.00 C ATOM 673 CD LYS A 45 -0.418 20.957 8.021 1.00 0.00 C ATOM 674 CE LYS A 45 -1.365 21.026 9.209 1.00 0.00 C ATOM 675 NZ LYS A 45 -0.762 21.756 10.358 1.00 0.00 N ATOM 0 H LYS A 45 -0.465 18.820 5.443 1.00 0.00 H new ATOM 0 HA LYS A 45 1.534 18.646 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.225 18.490 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.512 18.309 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.209 20.591 9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.661 20.547 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.204 21.965 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.900 20.425 7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.289 21.521 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.631 20.016 9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.518 22.136 10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.170 21.104 10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.176 22.539 10.003 1.00 0.00 H new ATOM 689 N GLN A 46 0.909 15.912 6.011 1.00 0.00 N ATOM 690 CA GLN A 46 1.229 14.490 5.978 1.00 0.00 C ATOM 691 C GLN A 46 1.488 14.023 4.549 1.00 0.00 C ATOM 692 O GLN A 46 1.041 14.652 3.590 1.00 0.00 O ATOM 693 CB GLN A 46 0.092 13.675 6.596 1.00 0.00 C ATOM 694 CG GLN A 46 -1.030 13.359 5.619 1.00 0.00 C ATOM 695 CD GLN A 46 -2.016 12.347 6.170 1.00 0.00 C ATOM 696 OE1 GLN A 46 -1.768 11.142 6.139 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.142 12.834 6.678 1.00 0.00 N ATOM 0 H GLN A 46 0.484 16.269 5.155 1.00 0.00 H new ATOM 0 HA GLN A 46 2.136 14.334 6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.496 12.741 6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.319 14.224 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.560 14.279 5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.603 12.977 4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.306 13.841 6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.843 12.201 7.063 1.00 0.00 H new ATOM 706 N VAL A 47 2.212 12.917 4.415 1.00 0.00 N ATOM 707 CA VAL A 47 2.530 12.366 3.103 1.00 0.00 C ATOM 708 C VAL A 47 1.810 11.041 2.875 1.00 0.00 C ATOM 709 O VAL A 47 2.033 10.068 3.596 1.00 0.00 O ATOM 710 CB VAL A 47 4.046 12.149 2.938 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.391 11.885 1.480 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.816 13.348 3.468 1.00 0.00 C ATOM 0 H VAL A 47 2.590 12.385 5.199 1.00 0.00 H new ATOM 0 HA VAL A 47 2.192 13.092 2.364 1.00 0.00 H new ATOM 0 HB VAL A 47 4.336 11.274 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.466 11.734 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.867 10.993 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.088 12.739 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.885 13.178 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.524 14.241 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.591 13.486 4.526 1.00 0.00 H new ATOM 722 N LYS A 48 0.946 11.010 1.866 1.00 0.00 N ATOM 723 CA LYS A 48 0.193 9.805 1.540 1.00 0.00 C ATOM 724 C LYS A 48 0.710 9.172 0.252 1.00 0.00 C ATOM 725 O LYS A 48 1.618 9.701 -0.389 1.00 0.00 O ATOM 726 CB LYS A 48 -1.296 10.131 1.398 1.00 0.00 C ATOM 727 CG LYS A 48 -1.969 10.484 2.713 1.00 0.00 C ATOM 728 CD LYS A 48 -3.437 10.091 2.711 1.00 0.00 C ATOM 729 CE LYS A 48 -4.316 11.221 2.198 1.00 0.00 C ATOM 730 NZ LYS A 48 -4.591 12.234 3.254 1.00 0.00 N ATOM 0 H LYS A 48 0.750 11.806 1.260 1.00 0.00 H new ATOM 0 HA LYS A 48 0.327 9.092 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.413 10.964 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.806 9.275 0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.457 9.979 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.878 11.555 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.577 9.208 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.744 9.820 3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.829 11.703 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.258 10.811 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.424 12.796 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.773 11.753 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.768 12.861 3.356 1.00 0.00 H new ATOM 744 N TYR A 49 0.126 8.040 -0.121 1.00 0.00 N ATOM 745 CA TYR A 49 0.529 7.335 -1.332 1.00 0.00 C ATOM 746 C TYR A 49 -0.611 6.471 -1.865 1.00 0.00 C ATOM 747 O TYR A 49 -1.071 5.547 -1.195 1.00 0.00 O ATOM 748 CB TYR A 49 1.757 6.465 -1.057 1.00 0.00 C ATOM 749 CG TYR A 49 2.827 7.167 -0.252 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.630 7.469 1.089 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.037 7.526 -0.834 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.605 8.110 1.828 1.00 0.00 C ATOM 753 CE2 TYR A 49 5.019 8.167 -0.102 1.00 0.00 C ATOM 754 CZ TYR A 49 4.798 8.457 1.228 1.00 0.00 C ATOM 755 OH TYR A 49 5.773 9.095 1.961 1.00 0.00 O ATOM 0 H TYR A 49 -0.628 7.590 0.398 1.00 0.00 H new ATOM 0 HA TYR A 49 0.781 8.079 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.444 5.567 -0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.182 6.141 -2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.698 7.198 1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.213 7.300 -1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.435 8.338 2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.954 8.439 -0.569 1.00 0.00 H new ATOM 0 HH TYR A 49 6.451 8.444 2.240 1.00 0.00 H new ATOM 765 N PHE A 50 -1.061 6.780 -3.076 1.00 0.00 N ATOM 766 CA PHE A 50 -2.148 6.034 -3.701 1.00 0.00 C ATOM 767 C PHE A 50 -1.738 4.585 -3.952 1.00 0.00 C ATOM 768 O PHE A 50 -1.068 4.281 -4.939 1.00 0.00 O ATOM 769 CB PHE A 50 -2.558 6.695 -5.018 1.00 0.00 C ATOM 770 CG PHE A 50 -3.769 6.072 -5.651 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.852 5.689 -4.876 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.825 5.868 -7.020 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.967 5.115 -5.455 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.938 5.294 -7.605 1.00 0.00 C ATOM 775 CZ PHE A 50 -6.011 4.918 -6.821 1.00 0.00 C ATOM 0 H PHE A 50 -0.690 7.541 -3.645 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.999 6.040 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.755 7.752 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.724 6.640 -5.718 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.824 5.841 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.989 6.161 -7.638 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.804 4.820 -4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.969 5.140 -8.673 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.883 4.471 -7.275 1.00 0.00 H new ATOM 785 N ILE A 51 -2.145 3.697 -3.051 1.00 0.00 N ATOM 786 CA ILE A 51 -1.822 2.282 -3.175 1.00 0.00 C ATOM 787 C ILE A 51 -2.801 1.573 -4.104 1.00 0.00 C ATOM 788 O ILE A 51 -3.935 2.018 -4.285 1.00 0.00 O ATOM 789 CB ILE A 51 -1.833 1.580 -1.804 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.853 2.263 -0.848 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.488 0.106 -1.960 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.593 2.134 -1.272 1.00 0.00 C ATOM 0 H ILE A 51 -2.699 3.933 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.818 2.224 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.835 1.656 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.108 3.320 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.971 1.835 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.500 -0.376 -0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.221 -0.373 -2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.495 0.009 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.231 2.641 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.866 1.080 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.726 2.588 -2.254 1.00 0.00 H new ATOM 804 N HIS A 52 -2.356 0.466 -4.691 1.00 0.00 N ATOM 805 CA HIS A 52 -3.194 -0.307 -5.601 1.00 0.00 C ATOM 806 C HIS A 52 -3.138 -1.793 -5.261 1.00 0.00 C ATOM 807 O HIS A 52 -2.227 -2.504 -5.688 1.00 0.00 O ATOM 808 CB HIS A 52 -2.752 -0.085 -7.048 1.00 0.00 C ATOM 809 CG HIS A 52 -3.347 -1.064 -8.012 1.00 0.00 C ATOM 810 ND1 HIS A 52 -4.633 -0.954 -8.499 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.825 -2.175 -8.583 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.876 -1.956 -9.325 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.794 -2.711 -9.394 1.00 0.00 N ATOM 0 H HIS A 52 -1.420 0.084 -4.553 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.223 0.035 -5.487 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.027 0.925 -7.352 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.665 -0.150 -7.101 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.830 -2.567 -8.429 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.802 -2.129 -9.854 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.695 -3.555 -9.958 1.00 0.00 H new ATOM 822 N TYR A 53 -4.116 -2.256 -4.490 1.00 0.00 N ATOM 823 CA TYR A 53 -4.175 -3.657 -4.091 1.00 0.00 C ATOM 824 C TYR A 53 -4.207 -4.571 -5.312 1.00 0.00 C ATOM 825 O TYR A 53 -5.213 -4.651 -6.016 1.00 0.00 O ATOM 826 CB TYR A 53 -5.408 -3.908 -3.220 1.00 0.00 C ATOM 827 CG TYR A 53 -5.400 -3.134 -1.922 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.362 -3.278 -1.010 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.431 -2.258 -1.606 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.351 -2.573 0.178 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.428 -1.547 -0.422 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.386 -1.709 0.467 1.00 0.00 C ATOM 833 OH TYR A 53 -5.379 -1.004 1.649 1.00 0.00 O ATOM 0 H TYR A 53 -4.878 -1.682 -4.129 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.278 -3.883 -3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.302 -3.644 -3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.475 -4.973 -2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.549 -3.953 -1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.250 -2.131 -2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.537 -2.698 0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.237 -0.868 -0.194 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.468 -0.698 1.842 1.00 0.00 H new ATOM 843 N SER A 54 -3.096 -5.260 -5.556 1.00 0.00 N ATOM 844 CA SER A 54 -2.993 -6.166 -6.693 1.00 0.00 C ATOM 845 C SER A 54 -4.273 -6.982 -6.855 1.00 0.00 C ATOM 846 O SER A 54 -4.875 -7.414 -5.873 1.00 0.00 O ATOM 847 CB SER A 54 -1.797 -7.103 -6.519 1.00 0.00 C ATOM 848 OG SER A 54 -1.571 -7.866 -7.692 1.00 0.00 O ATOM 0 H SER A 54 -2.255 -5.207 -4.981 1.00 0.00 H new ATOM 0 HA SER A 54 -2.848 -5.566 -7.592 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.906 -6.521 -6.283 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.974 -7.771 -5.676 1.00 0.00 H new ATOM 0 HG SER A 54 -0.800 -8.456 -7.555 1.00 0.00 H new ATOM 971 N GLU A 62 -6.826 2.711 -2.531 1.00 0.00 N ATOM 972 CA GLU A 62 -7.090 3.854 -1.665 1.00 0.00 C ATOM 973 C GLU A 62 -5.802 4.612 -1.355 1.00 0.00 C ATOM 974 O GLU A 62 -4.734 4.275 -1.866 1.00 0.00 O ATOM 975 CB GLU A 62 -7.749 3.394 -0.363 1.00 0.00 C ATOM 976 CG GLU A 62 -6.894 2.433 0.446 1.00 0.00 C ATOM 977 CD GLU A 62 -7.219 2.469 1.927 1.00 0.00 C ATOM 978 OE1 GLU A 62 -8.395 2.245 2.281 1.00 0.00 O ATOM 979 OE2 GLU A 62 -6.297 2.721 2.731 1.00 0.00 O ATOM 0 HA GLU A 62 -7.769 4.526 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.976 4.268 0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.699 2.913 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.038 1.420 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.842 2.679 0.302 1.00 0.00 H new ATOM 986 N TRP A 63 -5.912 5.635 -0.517 1.00 0.00 N ATOM 987 CA TRP A 63 -4.757 6.442 -0.139 1.00 0.00 C ATOM 988 C TRP A 63 -4.256 6.058 1.249 1.00 0.00 C ATOM 989 O TRP A 63 -5.043 5.893 2.180 1.00 0.00 O ATOM 990 CB TRP A 63 -5.114 7.929 -0.173 1.00 0.00 C ATOM 991 CG TRP A 63 -5.178 8.492 -1.560 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.278 8.564 -2.366 1.00 0.00 C ATOM 993 CD2 TRP A 63 -4.095 9.062 -2.305 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.945 9.143 -3.567 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.612 9.459 -3.554 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.741 9.277 -2.037 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.820 10.056 -4.531 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.956 9.870 -3.008 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.497 10.255 -4.242 1.00 0.00 C ATOM 0 H TRP A 63 -6.789 5.926 -0.086 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.961 6.251 -0.858 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.077 8.075 0.316 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.376 8.486 0.404 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.265 8.217 -2.099 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.586 9.310 -4.342 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.315 8.985 -1.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.235 10.352 -5.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.908 10.040 -2.812 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.858 10.718 -4.979 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.940 5.919 1.381 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.334 5.556 2.656 1.00 0.00 C ATOM 1012 C VAL A 64 -1.146 6.456 2.976 1.00 0.00 C ATOM 1013 O VAL A 64 -0.469 6.972 2.086 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.867 4.088 2.658 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.919 3.192 2.024 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.534 3.953 1.937 1.00 0.00 C ATOM 0 H VAL A 64 -2.274 6.052 0.620 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.101 5.687 3.419 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.729 3.770 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.571 2.159 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.849 3.268 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.092 3.506 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.219 2.910 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.643 4.289 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.215 4.564 2.440 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.884 6.651 4.277 1.00 0.00 N ATOM 1027 CA PRO A 65 0.224 7.489 4.744 1.00 0.00 C ATOM 1028 C PRO A 65 1.585 6.860 4.464 1.00 0.00 C ATOM 1029 O PRO A 65 1.686 5.883 3.723 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.018 7.588 6.253 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.795 6.363 6.593 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.649 6.067 5.391 1.00 0.00 C ATOM 0 HA PRO A 65 0.247 8.454 4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.922 7.626 6.803 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.572 8.492 6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.130 5.528 6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.410 6.524 7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.798 4.995 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.637 6.518 5.480 1.00 0.00 H new ATOM 1040 N GLU A 66 2.628 7.428 5.061 1.00 0.00 N ATOM 1041 CA GLU A 66 3.983 6.922 4.874 1.00 0.00 C ATOM 1042 C GLU A 66 4.295 5.817 5.880 1.00 0.00 C ATOM 1043 O GLU A 66 5.209 5.019 5.677 1.00 0.00 O ATOM 1044 CB GLU A 66 4.999 8.057 5.014 1.00 0.00 C ATOM 1045 CG GLU A 66 6.442 7.605 4.857 1.00 0.00 C ATOM 1046 CD GLU A 66 7.418 8.765 4.847 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.148 9.762 4.144 1.00 0.00 O ATOM 1048 OE2 GLU A 66 8.452 8.677 5.541 1.00 0.00 O ATOM 0 H GLU A 66 2.561 8.238 5.678 1.00 0.00 H new ATOM 0 HA GLU A 66 4.052 6.505 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.783 8.821 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.878 8.524 5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.697 6.927 5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.544 7.041 3.930 1.00 0.00 H new ATOM 1055 N SER A 67 3.529 5.780 6.965 1.00 0.00 N ATOM 1056 CA SER A 67 3.725 4.777 8.005 1.00 0.00 C ATOM 1057 C SER A 67 3.004 3.480 7.653 1.00 0.00 C ATOM 1058 O SER A 67 3.358 2.407 8.143 1.00 0.00 O ATOM 1059 CB SER A 67 3.224 5.303 9.352 1.00 0.00 C ATOM 1060 OG SER A 67 3.970 6.434 9.767 1.00 0.00 O ATOM 0 H SER A 67 2.767 6.433 7.147 1.00 0.00 H new ATOM 0 HA SER A 67 4.793 4.570 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.170 5.568 9.273 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.300 4.517 10.104 1.00 0.00 H new ATOM 0 HG SER A 67 3.629 6.752 10.629 1.00 0.00 H new ATOM 1066 N ARG A 68 1.991 3.587 6.799 1.00 0.00 N ATOM 1067 CA ARG A 68 1.219 2.423 6.381 1.00 0.00 C ATOM 1068 C ARG A 68 1.850 1.761 5.160 1.00 0.00 C ATOM 1069 O ARG A 68 1.223 0.938 4.493 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.223 2.828 6.067 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.100 2.963 7.300 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.564 2.716 6.972 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.453 3.234 8.010 1.00 0.00 N ATOM 1074 CZ ARG A 68 -3.746 2.572 9.124 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -3.223 1.373 9.344 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -4.562 3.109 10.021 1.00 0.00 N ATOM 0 H ARG A 68 1.686 4.467 6.383 1.00 0.00 H new ATOM 0 HA ARG A 68 1.218 1.705 7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.216 3.777 5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.662 2.087 5.399 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.772 2.254 8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.984 3.961 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.806 3.187 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.733 1.646 6.851 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.871 4.154 7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.594 0.957 8.657 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.450 0.867 10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.965 4.031 9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.786 2.600 10.876 1.00 0.00 H new ATOM 1090 N VAL A 69 3.096 2.127 4.873 1.00 0.00 N ATOM 1091 CA VAL A 69 3.813 1.568 3.733 1.00 0.00 C ATOM 1092 C VAL A 69 5.131 0.937 4.168 1.00 0.00 C ATOM 1093 O VAL A 69 5.822 1.458 5.044 1.00 0.00 O ATOM 1094 CB VAL A 69 4.099 2.644 2.668 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.550 2.000 1.366 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.870 3.512 2.445 1.00 0.00 C ATOM 0 H VAL A 69 3.629 2.808 5.414 1.00 0.00 H new ATOM 0 HA VAL A 69 3.171 0.800 3.301 1.00 0.00 H new ATOM 0 HB VAL A 69 4.906 3.282 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.747 2.775 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.459 1.425 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.767 1.337 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.090 4.267 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.042 2.890 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.597 4.003 3.379 1.00 0.00 H new ATOM 1106 N LEU A 70 5.473 -0.189 3.552 1.00 0.00 N ATOM 1107 CA LEU A 70 6.709 -0.893 3.875 1.00 0.00 C ATOM 1108 C LEU A 70 7.618 -0.985 2.653 1.00 0.00 C ATOM 1109 O LEU A 70 7.147 -1.087 1.521 1.00 0.00 O ATOM 1110 CB LEU A 70 6.398 -2.295 4.400 1.00 0.00 C ATOM 1111 CG LEU A 70 5.293 -2.388 5.452 1.00 0.00 C ATOM 1112 CD1 LEU A 70 4.970 -3.842 5.760 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.699 -1.650 6.719 1.00 0.00 C ATOM 0 H LEU A 70 4.912 -0.634 2.826 1.00 0.00 H new ATOM 0 HA LEU A 70 7.228 -0.329 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.121 -2.925 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.311 -2.713 4.823 1.00 0.00 H new ATOM 0 HG LEU A 70 4.396 -1.915 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.181 -3.888 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.635 -4.341 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.862 -4.340 6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.900 -1.727 7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.609 -2.093 7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.879 -0.600 6.487 1.00 0.00 H new ATOM 1125 N LYS A 71 8.925 -0.951 2.891 1.00 0.00 N ATOM 1126 CA LYS A 71 9.902 -1.034 1.812 1.00 0.00 C ATOM 1127 C LYS A 71 9.757 -2.345 1.046 1.00 0.00 C ATOM 1128 O LYS A 71 10.365 -2.530 -0.008 1.00 0.00 O ATOM 1129 CB LYS A 71 11.322 -0.912 2.370 1.00 0.00 C ATOM 1130 CG LYS A 71 11.516 0.290 3.279 1.00 0.00 C ATOM 1131 CD LYS A 71 10.595 1.435 2.894 1.00 0.00 C ATOM 1132 CE LYS A 71 11.075 2.756 3.477 1.00 0.00 C ATOM 1133 NZ LYS A 71 11.240 2.682 4.955 1.00 0.00 N ATOM 0 H LYS A 71 9.332 -0.866 3.822 1.00 0.00 H new ATOM 0 HA LYS A 71 9.716 -0.209 1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.565 -1.819 2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.025 -0.847 1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.325 0.000 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.553 0.623 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.543 1.513 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.585 1.226 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.025 3.031 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.362 3.543 3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.419 3.634 5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.373 2.297 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.043 2.062 5.184 1.00 0.00 H new ATOM 1147 N TYR A 72 8.947 -3.251 1.582 1.00 0.00 N ATOM 1148 CA TYR A 72 8.722 -4.545 0.949 1.00 0.00 C ATOM 1149 C TYR A 72 10.030 -5.320 0.816 1.00 0.00 C ATOM 1150 O TYR A 72 10.287 -5.957 -0.206 1.00 0.00 O ATOM 1151 CB TYR A 72 8.084 -4.359 -0.428 1.00 0.00 C ATOM 1152 CG TYR A 72 7.169 -5.494 -0.829 1.00 0.00 C ATOM 1153 CD1 TYR A 72 7.475 -6.809 -0.501 1.00 0.00 C ATOM 1154 CD2 TYR A 72 5.998 -5.251 -1.538 1.00 0.00 C ATOM 1155 CE1 TYR A 72 6.641 -7.849 -0.866 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.159 -6.285 -1.906 1.00 0.00 C ATOM 1157 CZ TYR A 72 5.485 -7.582 -1.568 1.00 0.00 C ATOM 1158 OH TYR A 72 4.652 -8.614 -1.933 1.00 0.00 O ATOM 0 H TYR A 72 8.435 -3.113 2.453 1.00 0.00 H new ATOM 0 HA TYR A 72 8.043 -5.118 1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.518 -3.427 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 72 8.872 -4.258 -1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.380 -7.022 0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.740 -4.237 -1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.894 -8.865 -0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.252 -6.079 -2.456 1.00 0.00 H new ATOM 0 HH TYR A 72 4.719 -9.337 -1.275 1.00 0.00 H new ATOM 1168 N VAL A 73 10.853 -5.263 1.858 1.00 0.00 N ATOM 1169 CA VAL A 73 12.133 -5.960 1.861 1.00 0.00 C ATOM 1170 C VAL A 73 12.107 -7.154 2.808 1.00 0.00 C ATOM 1171 O VAL A 73 11.236 -7.255 3.672 1.00 0.00 O ATOM 1172 CB VAL A 73 13.284 -5.020 2.269 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.398 -3.860 1.291 1.00 0.00 C ATOM 1174 CG2 VAL A 73 13.079 -4.513 3.688 1.00 0.00 C ATOM 0 H VAL A 73 10.656 -4.741 2.712 1.00 0.00 H new ATOM 0 HA VAL A 73 12.304 -6.311 0.843 1.00 0.00 H new ATOM 0 HB VAL A 73 14.217 -5.582 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.216 -3.207 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 73 13.594 -4.246 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.466 -3.295 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.901 -3.851 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.138 -3.966 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.051 -5.358 4.376 1.00 0.00 H new ATOM 1184 N ASP A 74 13.068 -8.056 2.640 1.00 0.00 N ATOM 1185 CA ASP A 74 13.156 -9.244 3.481 1.00 0.00 C ATOM 1186 C ASP A 74 12.701 -8.937 4.905 1.00 0.00 C ATOM 1187 O ASP A 74 11.802 -9.590 5.436 1.00 0.00 O ATOM 1188 CB ASP A 74 14.589 -9.780 3.495 1.00 0.00 C ATOM 1189 CG ASP A 74 15.621 -8.677 3.364 1.00 0.00 C ATOM 1190 OD1 ASP A 74 15.769 -8.132 2.250 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.281 -8.359 4.375 1.00 0.00 O ATOM 0 H ASP A 74 13.797 -7.987 1.929 1.00 0.00 H new ATOM 0 HA ASP A 74 12.496 -10.004 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.761 -10.326 4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.716 -10.491 2.679 1.00 0.00 H new ATOM 1196 N THR A 75 13.330 -7.940 5.519 1.00 0.00 N ATOM 1197 CA THR A 75 12.992 -7.547 6.882 1.00 0.00 C ATOM 1198 C THR A 75 11.486 -7.384 7.049 1.00 0.00 C ATOM 1199 O THR A 75 10.854 -8.116 7.810 1.00 0.00 O ATOM 1200 CB THR A 75 13.687 -6.230 7.276 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.997 -6.176 6.701 1.00 0.00 O ATOM 1202 CG2 THR A 75 13.785 -6.102 8.788 1.00 0.00 C ATOM 0 H THR A 75 14.076 -7.390 5.094 1.00 0.00 H new ATOM 0 HA THR A 75 13.343 -8.344 7.537 1.00 0.00 H new ATOM 0 HB THR A 75 13.090 -5.401 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.431 -5.335 6.955 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.279 -5.164 9.042 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.784 -6.113 9.220 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.362 -6.936 9.187 1.00 0.00 H new ATOM 1210 N ASN A 76 10.916 -6.420 6.333 1.00 0.00 N ATOM 1211 CA ASN A 76 9.483 -6.162 6.403 1.00 0.00 C ATOM 1212 C ASN A 76 8.687 -7.442 6.166 1.00 0.00 C ATOM 1213 O ASN A 76 7.756 -7.754 6.911 1.00 0.00 O ATOM 1214 CB ASN A 76 9.084 -5.103 5.373 1.00 0.00 C ATOM 1215 CG ASN A 76 9.646 -3.734 5.705 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.799 -3.379 6.874 1.00 0.00 O ATOM 1217 ND2 ASN A 76 9.957 -2.956 4.674 1.00 0.00 N ATOM 0 H ASN A 76 11.425 -5.805 5.698 1.00 0.00 H new ATOM 0 HA ASN A 76 9.254 -5.793 7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.436 -5.408 4.387 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.997 -5.043 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.339 -2.024 4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.814 -3.291 3.721 1.00 0.00 H new ATOM 1224 N LEU A 77 9.059 -8.180 5.126 1.00 0.00 N ATOM 1225 CA LEU A 77 8.381 -9.427 4.791 1.00 0.00 C ATOM 1226 C LEU A 77 8.173 -10.285 6.035 1.00 0.00 C ATOM 1227 O LEU A 77 7.100 -10.851 6.238 1.00 0.00 O ATOM 1228 CB LEU A 77 9.187 -10.205 3.750 1.00 0.00 C ATOM 1229 CG LEU A 77 9.307 -9.554 2.371 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.341 -10.282 1.526 1.00 0.00 C ATOM 1231 CD2 LEU A 77 7.957 -9.537 1.669 1.00 0.00 C ATOM 0 H LEU A 77 9.827 -7.936 4.500 1.00 0.00 H new ATOM 0 HA LEU A 77 7.404 -9.180 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.191 -10.365 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.732 -11.188 3.627 1.00 0.00 H new ATOM 0 HG LEU A 77 9.637 -8.524 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.413 -9.805 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.311 -10.241 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.041 -11.323 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.062 -9.070 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.597 -10.559 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.243 -8.970 2.267 1.00 0.00 H new ATOM 1243 N GLN A 78 9.208 -10.374 6.865 1.00 0.00 N ATOM 1244 CA GLN A 78 9.138 -11.162 8.090 1.00 0.00 C ATOM 1245 C GLN A 78 7.767 -11.030 8.745 1.00 0.00 C ATOM 1246 O GLN A 78 7.318 -11.928 9.458 1.00 0.00 O ATOM 1247 CB GLN A 78 10.228 -10.721 9.068 1.00 0.00 C ATOM 1248 CG GLN A 78 9.791 -9.605 10.003 1.00 0.00 C ATOM 1249 CD GLN A 78 9.176 -10.125 11.287 1.00 0.00 C ATOM 1250 OE1 GLN A 78 8.010 -10.518 11.316 1.00 0.00 O ATOM 1251 NE2 GLN A 78 9.960 -10.131 12.359 1.00 0.00 N ATOM 0 H GLN A 78 10.104 -9.911 6.712 1.00 0.00 H new ATOM 0 HA GLN A 78 9.296 -12.208 7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.541 -11.580 9.662 1.00 0.00 H new ATOM 0 HB3 GLN A 78 11.099 -10.390 8.503 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.651 -8.981 10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.069 -8.969 9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.921 -9.796 12.290 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.601 -10.471 13.251 1.00 0.00 H new ATOM 1260 N LYS A 79 7.105 -9.904 8.499 1.00 0.00 N ATOM 1261 CA LYS A 79 5.784 -9.653 9.063 1.00 0.00 C ATOM 1262 C LYS A 79 4.688 -10.093 8.098 1.00 0.00 C ATOM 1263 O LYS A 79 3.952 -11.040 8.372 1.00 0.00 O ATOM 1264 CB LYS A 79 5.622 -8.168 9.394 1.00 0.00 C ATOM 1265 CG LYS A 79 4.251 -7.813 9.944 1.00 0.00 C ATOM 1266 CD LYS A 79 4.084 -6.311 10.098 1.00 0.00 C ATOM 1267 CE LYS A 79 3.118 -5.970 11.222 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.802 -5.913 12.543 1.00 0.00 N ATOM 0 H LYS A 79 7.462 -9.150 7.912 1.00 0.00 H new ATOM 0 HA LYS A 79 5.691 -10.235 9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.381 -7.882 10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.806 -7.582 8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.480 -8.199 9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.109 -8.297 10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.053 -5.855 10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.720 -5.887 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.646 -5.010 11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.323 -6.715 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.110 -5.678 13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.231 -6.837 12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.544 -5.184 12.519 1.00 0.00 H new ATOM 1282 N GLN A 80 4.587 -9.399 6.969 1.00 0.00 N ATOM 1283 CA GLN A 80 3.580 -9.720 5.964 1.00 0.00 C ATOM 1284 C GLN A 80 3.317 -11.222 5.916 1.00 0.00 C ATOM 1285 O GLN A 80 2.191 -11.657 5.676 1.00 0.00 O ATOM 1286 CB GLN A 80 4.028 -9.225 4.587 1.00 0.00 C ATOM 1287 CG GLN A 80 3.144 -9.709 3.449 1.00 0.00 C ATOM 1288 CD GLN A 80 3.899 -9.848 2.142 1.00 0.00 C ATOM 1289 OE1 GLN A 80 4.650 -8.956 1.748 1.00 0.00 O ATOM 1290 NE2 GLN A 80 3.703 -10.972 1.462 1.00 0.00 N ATOM 0 H GLN A 80 5.189 -8.612 6.727 1.00 0.00 H new ATOM 0 HA GLN A 80 2.654 -9.216 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.040 -8.135 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.051 -9.555 4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.708 -10.672 3.717 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.317 -9.011 3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.071 -11.685 1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.184 -11.122 0.575 1.00 0.00 H new ATOM 1299 N ARG A 81 4.364 -12.008 6.146 1.00 0.00 N ATOM 1300 CA ARG A 81 4.246 -13.461 6.127 1.00 0.00 C ATOM 1301 C ARG A 81 3.675 -13.977 7.445 1.00 0.00 C ATOM 1302 O ARG A 81 2.776 -14.817 7.455 1.00 0.00 O ATOM 1303 CB ARG A 81 5.611 -14.101 5.865 1.00 0.00 C ATOM 1304 CG ARG A 81 6.600 -13.914 7.004 1.00 0.00 C ATOM 1305 CD ARG A 81 7.923 -14.604 6.712 1.00 0.00 C ATOM 1306 NE ARG A 81 8.617 -13.998 5.578 1.00 0.00 N ATOM 1307 CZ ARG A 81 9.863 -14.301 5.232 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.548 -15.199 5.927 1.00 0.00 N ATOM 1309 NH2 ARG A 81 10.426 -13.707 4.188 1.00 0.00 N ATOM 0 H ARG A 81 5.303 -11.663 6.347 1.00 0.00 H new ATOM 0 HA ARG A 81 3.563 -13.735 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.474 -15.167 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.034 -13.676 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.772 -12.850 7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.176 -14.313 7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.560 -14.555 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.744 -15.659 6.506 1.00 0.00 H new ATOM 0 HE ARG A 81 8.117 -13.304 5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.118 -15.659 6.730 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.505 -15.430 5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.902 -13.017 3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.383 -13.940 3.923 1.00 0.00 H new ATOM 1323 N GLU A 82 4.205 -13.469 8.553 1.00 0.00 N ATOM 1324 CA GLU A 82 3.748 -13.880 9.875 1.00 0.00 C ATOM 1325 C GLU A 82 2.241 -13.682 10.016 1.00 0.00 C ATOM 1326 O GLU A 82 1.555 -14.485 10.651 1.00 0.00 O ATOM 1327 CB GLU A 82 4.480 -13.089 10.961 1.00 0.00 C ATOM 1328 CG GLU A 82 3.754 -11.824 11.388 1.00 0.00 C ATOM 1329 CD GLU A 82 4.438 -11.121 12.544 1.00 0.00 C ATOM 1330 OE1 GLU A 82 4.857 -11.814 13.495 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.553 -9.879 12.499 1.00 0.00 O ATOM 0 H GLU A 82 4.950 -12.773 8.561 1.00 0.00 H new ATOM 0 HA GLU A 82 3.971 -14.940 9.994 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.620 -13.729 11.832 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.473 -12.823 10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.690 -11.142 10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.732 -12.075 11.673 1.00 0.00 H new ATOM 1338 N LEU A 83 1.733 -12.609 9.420 1.00 0.00 N ATOM 1339 CA LEU A 83 0.308 -12.305 9.479 1.00 0.00 C ATOM 1340 C LEU A 83 -0.476 -13.178 8.504 1.00 0.00 C ATOM 1341 O LEU A 83 -1.472 -13.798 8.876 1.00 0.00 O ATOM 1342 CB LEU A 83 0.068 -10.827 9.163 1.00 0.00 C ATOM 1343 CG LEU A 83 1.039 -9.837 9.809 1.00 0.00 C ATOM 1344 CD1 LEU A 83 0.817 -8.437 9.259 1.00 0.00 C ATOM 1345 CD2 LEU A 83 0.885 -9.849 11.323 1.00 0.00 C ATOM 0 H LEU A 83 2.287 -11.935 8.891 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.042 -12.516 10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.112 -10.695 8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.944 -10.569 9.475 1.00 0.00 H new ATOM 0 HG LEU A 83 2.056 -10.144 9.566 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.516 -7.746 9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.979 -8.440 8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.204 -8.120 9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.584 -9.139 11.765 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.134 -9.568 11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.095 -10.849 11.702 1.00 0.00 H new ATOM 1357 N GLN A 84 -0.018 -13.222 7.258 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.676 -14.021 6.231 1.00 0.00 C ATOM 1359 C GLN A 84 -0.673 -15.500 6.605 1.00 0.00 C ATOM 1360 O GLN A 84 -1.568 -16.252 6.218 1.00 0.00 O ATOM 1361 CB GLN A 84 0.015 -13.824 4.880 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.214 -12.448 4.275 1.00 0.00 C ATOM 1363 CD GLN A 84 0.566 -12.238 2.993 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.121 -13.181 2.428 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.614 -10.996 2.525 1.00 0.00 N ATOM 0 H GLN A 84 0.806 -12.714 6.935 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.711 -13.686 6.155 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.086 -13.984 5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.343 -14.582 4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.277 -12.316 4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.072 -11.685 4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.140 -10.244 3.025 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.125 -10.794 1.666 1.00 0.00 H new ATOM 1374 N LYS A 85 0.340 -15.911 7.361 1.00 0.00 N ATOM 1375 CA LYS A 85 0.460 -17.299 7.790 1.00 0.00 C ATOM 1376 C LYS A 85 -0.242 -17.519 9.126 1.00 0.00 C ATOM 1377 O LYS A 85 -0.618 -18.641 9.463 1.00 0.00 O ATOM 1378 CB LYS A 85 1.935 -17.693 7.906 1.00 0.00 C ATOM 1379 CG LYS A 85 2.538 -17.399 9.269 1.00 0.00 C ATOM 1380 CD LYS A 85 3.968 -17.901 9.366 1.00 0.00 C ATOM 1381 CE LYS A 85 4.751 -17.603 8.096 1.00 0.00 C ATOM 1382 NZ LYS A 85 6.180 -18.003 8.219 1.00 0.00 N ATOM 0 H LYS A 85 1.090 -15.302 7.689 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.020 -17.927 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.036 -18.758 7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.505 -17.162 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.515 -16.325 9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.933 -17.869 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.462 -17.433 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.966 -18.975 9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.297 -18.131 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.690 -16.538 7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.679 -17.784 7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.620 -17.481 9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.240 -19.024 8.406 1.00 0.00 H new