USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 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 36 MET CE :methyl -162:sc= -9.38! (180deg=-11.2!) USER MOD Set 1.2: A 57 TYR OH : rot -13:sc= -1.17 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -0.0328 K(o=0.14,f=-0.89) USER MOD Set 2.2: A 73 THR OG1 : rot 149:sc= 0.176 USER MOD Set 3.1: A 21 SER OG : rot 132:sc= 1.38 USER MOD Set 3.2: A 52 MET CE :methyl -119:sc=-0.00196 (180deg=0) USER MOD Set 3.3: A 88 TYR OH : rot 28:sc= 1.3 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -19:sc= 0.328 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00654 X(o=-0.0065,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 170:sc= -7.22! (180deg=-7.49!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -153:sc= -1.42 (180deg=-4.05!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 0.117 (180deg=0.049) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -32:sc=-0.00345 USER MOD Single : A 78 HIS : no HD1:sc= -3.07 K(o=-3.1,f=-2.1!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 83 SER OG : rot -17:sc= 0.72 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 16 -8.146 9.013 -4.243 1.00 0.00 N ATOM 187 CA PHE A 16 -8.533 7.655 -3.901 1.00 0.00 C ATOM 188 C PHE A 16 -7.334 6.856 -3.386 1.00 0.00 C ATOM 189 O PHE A 16 -6.832 5.969 -4.074 1.00 0.00 O ATOM 190 CB PHE A 16 -9.053 7.001 -5.183 1.00 0.00 C ATOM 191 CG PHE A 16 -9.904 7.928 -6.053 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.015 8.517 -5.535 1.00 0.00 C ATOM 193 CD2 PHE A 16 -9.550 8.163 -7.345 1.00 0.00 C ATOM 194 CE1 PHE A 16 -11.805 9.378 -6.343 1.00 0.00 C ATOM 195 CE2 PHE A 16 -10.339 9.024 -8.153 1.00 0.00 C ATOM 196 CZ PHE A 16 -11.450 9.613 -7.634 1.00 0.00 C ATOM 0 HA PHE A 16 -9.289 7.671 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.204 6.648 -5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.644 6.124 -4.918 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.297 8.330 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -8.668 7.695 -7.757 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.687 9.846 -5.932 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.057 9.211 -9.179 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.050 10.268 -8.248 1.00 0.00 H new ATOM 206 N ARG A 17 -6.910 7.200 -2.179 1.00 0.00 N ATOM 207 CA ARG A 17 -5.779 6.526 -1.563 1.00 0.00 C ATOM 208 C ARG A 17 -6.267 5.462 -0.578 1.00 0.00 C ATOM 209 O ARG A 17 -7.443 5.438 -0.217 1.00 0.00 O ATOM 210 CB ARG A 17 -4.881 7.521 -0.825 1.00 0.00 C ATOM 211 CG ARG A 17 -3.838 8.123 -1.768 1.00 0.00 C ATOM 212 CD ARG A 17 -3.274 9.427 -1.202 1.00 0.00 C ATOM 213 NE ARG A 17 -2.697 10.245 -2.292 1.00 0.00 N ATOM 214 CZ ARG A 17 -3.405 11.096 -3.048 1.00 0.00 C ATOM 215 NH1 ARG A 17 -4.720 11.245 -2.837 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.798 11.797 -4.015 1.00 0.00 N ATOM 0 H ARG A 17 -7.329 7.936 -1.611 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.202 6.053 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.490 8.316 -0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.381 7.020 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.028 7.410 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.289 8.310 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.062 9.984 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.509 9.209 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.698 10.156 -2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.182 10.711 -2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.259 11.893 -3.412 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.797 11.683 -4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.337 12.445 -4.590 1.00 0.00 H new ATOM 230 N VAL A 18 -5.340 4.607 -0.172 1.00 0.00 N ATOM 231 CA VAL A 18 -5.661 3.543 0.764 1.00 0.00 C ATOM 232 C VAL A 18 -4.554 3.444 1.815 1.00 0.00 C ATOM 233 O VAL A 18 -3.404 3.157 1.486 1.00 0.00 O ATOM 234 CB VAL A 18 -5.887 2.232 0.008 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.218 2.257 -0.746 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.724 1.939 -0.942 1.00 0.00 C ATOM 0 H VAL A 18 -4.366 4.629 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.590 3.764 1.290 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.932 1.426 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.354 1.314 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.035 2.397 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.215 3.078 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.910 1.002 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.633 2.748 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.799 1.858 -0.371 1.00 0.00 H new ATOM 246 N LEU A 19 -4.940 3.686 3.059 1.00 0.00 N ATOM 247 CA LEU A 19 -3.995 3.628 4.161 1.00 0.00 C ATOM 248 C LEU A 19 -3.820 2.172 4.600 1.00 0.00 C ATOM 249 O LEU A 19 -4.800 1.452 4.779 1.00 0.00 O ATOM 250 CB LEU A 19 -4.431 4.563 5.291 1.00 0.00 C ATOM 251 CG LEU A 19 -4.467 6.054 4.951 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.414 6.907 6.220 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.354 6.420 3.968 1.00 0.00 C ATOM 0 H LEU A 19 -5.895 3.923 3.328 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.016 3.986 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.425 4.262 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.757 4.419 6.135 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.415 6.269 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.441 7.963 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.270 6.672 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.493 6.695 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.403 7.486 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.386 6.186 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.479 5.849 3.048 1.00 0.00 H new ATOM 265 N VAL A 20 -2.563 1.783 4.761 1.00 0.00 N ATOM 266 CA VAL A 20 -2.247 0.427 5.176 1.00 0.00 C ATOM 267 C VAL A 20 -1.343 0.473 6.410 1.00 0.00 C ATOM 268 O VAL A 20 -0.375 1.231 6.446 1.00 0.00 O ATOM 269 CB VAL A 20 -1.628 -0.346 4.010 1.00 0.00 C ATOM 270 CG1 VAL A 20 -1.009 -1.660 4.490 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.660 -0.596 2.908 1.00 0.00 C ATOM 0 H VAL A 20 -1.752 2.383 4.611 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.154 -0.107 5.458 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.830 0.266 3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.576 -2.190 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.229 -1.449 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.780 -2.279 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.194 -1.147 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.489 -1.177 3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.033 0.358 2.536 1.00 0.00 H new ATOM 281 N SER A 21 -1.692 -0.347 7.390 1.00 0.00 N ATOM 282 CA SER A 21 -0.924 -0.410 8.622 1.00 0.00 C ATOM 283 C SER A 21 -0.721 -1.868 9.039 1.00 0.00 C ATOM 284 O SER A 21 -1.515 -2.736 8.679 1.00 0.00 O ATOM 285 CB SER A 21 -1.615 0.371 9.741 1.00 0.00 C ATOM 286 OG SER A 21 -1.364 1.771 9.649 1.00 0.00 O ATOM 0 H SER A 21 -2.496 -0.973 7.356 1.00 0.00 H new ATOM 0 HA SER A 21 0.049 0.048 8.443 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.689 0.192 9.698 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.269 0.003 10.707 1.00 0.00 H new ATOM 0 HG SER A 21 -2.209 2.261 9.727 1.00 0.00 H new ATOM 292 N GLY A 22 0.346 -2.092 9.791 1.00 0.00 N ATOM 293 CA GLY A 22 0.663 -3.430 10.261 1.00 0.00 C ATOM 294 C GLY A 22 1.616 -4.138 9.296 1.00 0.00 C ATOM 295 O GLY A 22 1.525 -5.350 9.107 1.00 0.00 O ATOM 0 H GLY A 22 1.002 -1.369 10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.117 -3.374 11.250 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.254 -4.010 10.363 1.00 0.00 H new ATOM 299 N LEU A 23 2.507 -3.352 8.711 1.00 0.00 N ATOM 300 CA LEU A 23 3.476 -3.888 7.770 1.00 0.00 C ATOM 301 C LEU A 23 4.707 -4.378 8.536 1.00 0.00 C ATOM 302 O LEU A 23 4.959 -3.942 9.658 1.00 0.00 O ATOM 303 CB LEU A 23 3.796 -2.859 6.685 1.00 0.00 C ATOM 304 CG LEU A 23 2.769 -2.730 5.558 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.462 -1.261 5.261 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.229 -3.484 4.309 1.00 0.00 C ATOM 0 H LEU A 23 2.579 -2.347 8.870 1.00 0.00 H new ATOM 0 HA LEU A 23 3.062 -4.750 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.910 -1.884 7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.760 -3.113 6.244 1.00 0.00 H new ATOM 0 HG LEU A 23 1.839 -3.192 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.729 -1.198 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.060 -0.785 6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.377 -0.752 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.481 -3.376 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.178 -3.074 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.355 -4.540 4.547 1.00 0.00 H new ATOM 318 N PRO A 24 5.460 -5.302 7.882 1.00 0.00 N ATOM 319 CA PRO A 24 6.659 -5.856 8.489 1.00 0.00 C ATOM 320 C PRO A 24 7.807 -4.846 8.456 1.00 0.00 C ATOM 321 O PRO A 24 7.704 -3.804 7.810 1.00 0.00 O ATOM 322 CB PRO A 24 6.955 -7.118 7.695 1.00 0.00 C ATOM 323 CG PRO A 24 6.190 -6.977 6.388 1.00 0.00 C ATOM 324 CD PRO A 24 5.192 -5.842 6.552 1.00 0.00 C ATOM 0 HA PRO A 24 6.527 -6.088 9.546 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.024 -7.223 7.512 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.636 -8.006 8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.874 -6.768 5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.675 -7.906 6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.326 -5.082 5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.166 -6.202 6.470 1.00 0.00 H new ATOM 332 N PRO A 25 8.903 -5.198 9.179 1.00 0.00 N ATOM 333 CA PRO A 25 10.070 -4.334 9.239 1.00 0.00 C ATOM 334 C PRO A 25 10.867 -4.398 7.935 1.00 0.00 C ATOM 335 O PRO A 25 11.668 -3.509 7.648 1.00 0.00 O ATOM 336 CB PRO A 25 10.860 -4.822 10.442 1.00 0.00 C ATOM 337 CG PRO A 25 10.353 -6.225 10.733 1.00 0.00 C ATOM 338 CD PRO A 25 9.061 -6.423 9.957 1.00 0.00 C ATOM 0 HA PRO A 25 9.809 -3.282 9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.929 -4.829 10.230 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.710 -4.167 11.300 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.094 -6.968 10.437 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.181 -6.355 11.801 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.118 -7.298 9.310 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.216 -6.577 10.628 1.00 0.00 H new ATOM 346 N SER A 26 10.621 -5.459 7.179 1.00 0.00 N ATOM 347 CA SER A 26 11.306 -5.650 5.913 1.00 0.00 C ATOM 348 C SER A 26 10.361 -5.329 4.753 1.00 0.00 C ATOM 349 O SER A 26 10.762 -5.368 3.591 1.00 0.00 O ATOM 350 CB SER A 26 11.836 -7.080 5.784 1.00 0.00 C ATOM 351 OG SER A 26 12.274 -7.601 7.036 1.00 0.00 O ATOM 0 H SER A 26 9.957 -6.195 7.420 1.00 0.00 H new ATOM 0 HA SER A 26 12.158 -4.970 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.054 -7.721 5.378 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.663 -7.098 5.074 1.00 0.00 H new ATOM 0 HG SER A 26 12.603 -8.516 6.912 1.00 0.00 H new ATOM 357 N GLY A 27 9.123 -5.018 5.109 1.00 0.00 N ATOM 358 CA GLY A 27 8.118 -4.689 4.112 1.00 0.00 C ATOM 359 C GLY A 27 8.588 -3.541 3.217 1.00 0.00 C ATOM 360 O GLY A 27 9.321 -2.660 3.665 1.00 0.00 O ATOM 0 H GLY A 27 8.793 -4.987 6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.905 -5.567 3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.187 -4.411 4.607 1.00 0.00 H new ATOM 364 N SER A 28 8.146 -3.587 1.969 1.00 0.00 N ATOM 365 CA SER A 28 8.512 -2.561 1.007 1.00 0.00 C ATOM 366 C SER A 28 7.256 -1.998 0.340 1.00 0.00 C ATOM 367 O SER A 28 6.145 -2.441 0.626 1.00 0.00 O ATOM 368 CB SER A 28 9.472 -3.113 -0.048 1.00 0.00 C ATOM 369 OG SER A 28 10.571 -3.804 0.539 1.00 0.00 O ATOM 0 H SER A 28 7.538 -4.319 1.602 1.00 0.00 H new ATOM 0 HA SER A 28 9.023 -1.759 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.932 -3.788 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.845 -2.294 -0.662 1.00 0.00 H new ATOM 0 HG SER A 28 11.160 -4.143 -0.168 1.00 0.00 H new ATOM 375 N TRP A 29 7.475 -1.029 -0.538 1.00 0.00 N ATOM 376 CA TRP A 29 6.374 -0.401 -1.248 1.00 0.00 C ATOM 377 C TRP A 29 6.097 -1.220 -2.510 1.00 0.00 C ATOM 378 O TRP A 29 4.944 -1.521 -2.818 1.00 0.00 O ATOM 379 CB TRP A 29 6.682 1.068 -1.546 1.00 0.00 C ATOM 380 CG TRP A 29 8.014 1.293 -2.263 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.204 1.586 -1.721 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.246 1.230 -3.686 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.182 1.716 -2.686 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.580 1.493 -3.919 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.357 0.959 -4.741 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.146 1.511 -5.200 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.938 0.982 -6.015 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.279 1.244 -6.267 1.00 0.00 C ATOM 0 H TRP A 29 8.398 -0.664 -0.773 1.00 0.00 H new ATOM 0 HA TRP A 29 5.474 -0.392 -0.634 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.879 1.480 -2.157 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.687 1.624 -0.609 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.376 1.705 -0.662 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.165 1.935 -2.524 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.310 0.750 -4.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.194 1.719 -5.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.298 0.782 -6.862 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.651 1.242 -7.281 1.00 0.00 H new ATOM 399 N GLN A 30 7.172 -1.559 -3.206 1.00 0.00 N ATOM 400 CA GLN A 30 7.059 -2.338 -4.427 1.00 0.00 C ATOM 401 C GLN A 30 6.137 -3.539 -4.207 1.00 0.00 C ATOM 402 O GLN A 30 5.063 -3.619 -4.801 1.00 0.00 O ATOM 403 CB GLN A 30 8.435 -2.786 -4.921 1.00 0.00 C ATOM 404 CG GLN A 30 9.241 -1.599 -5.453 1.00 0.00 C ATOM 405 CD GLN A 30 10.732 -1.934 -5.518 1.00 0.00 C ATOM 406 OE1 GLN A 30 11.311 -2.104 -6.579 1.00 0.00 O ATOM 407 NE2 GLN A 30 11.320 -2.018 -4.329 1.00 0.00 N ATOM 0 H GLN A 30 8.126 -1.308 -2.947 1.00 0.00 H new ATOM 0 HA GLN A 30 6.621 -1.705 -5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.980 -3.264 -4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.318 -3.532 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.882 -1.327 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.087 -0.733 -4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.777 -1.864 -3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.314 -2.236 -4.266 1.00 0.00 H new ATOM 416 N ASP A 31 6.590 -4.443 -3.350 1.00 0.00 N ATOM 417 CA ASP A 31 5.819 -5.636 -3.044 1.00 0.00 C ATOM 418 C ASP A 31 4.424 -5.228 -2.568 1.00 0.00 C ATOM 419 O ASP A 31 3.433 -5.865 -2.923 1.00 0.00 O ATOM 420 CB ASP A 31 6.481 -6.447 -1.928 1.00 0.00 C ATOM 421 CG ASP A 31 7.214 -7.707 -2.392 1.00 0.00 C ATOM 422 OD1 ASP A 31 7.035 -8.064 -3.577 1.00 0.00 O ATOM 423 OD2 ASP A 31 7.938 -8.285 -1.552 1.00 0.00 O ATOM 0 H ASP A 31 7.481 -4.373 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 31 5.763 -6.243 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.189 -5.805 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.717 -6.735 -1.206 1.00 0.00 H new ATOM 428 N LEU A 32 4.390 -4.169 -1.773 1.00 0.00 N ATOM 429 CA LEU A 32 3.132 -3.669 -1.245 1.00 0.00 C ATOM 430 C LEU A 32 2.196 -3.329 -2.407 1.00 0.00 C ATOM 431 O LEU A 32 1.033 -3.729 -2.409 1.00 0.00 O ATOM 432 CB LEU A 32 3.379 -2.498 -0.291 1.00 0.00 C ATOM 433 CG LEU A 32 2.159 -1.639 0.045 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.459 -0.694 1.211 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.661 -0.886 -1.190 1.00 0.00 C ATOM 0 H LEU A 32 5.214 -3.643 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 32 2.637 -4.436 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.788 -2.893 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.143 -1.854 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 32 1.353 -2.300 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.575 -0.094 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.729 -1.277 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.286 -0.037 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.793 -0.283 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.453 -0.237 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.382 -1.601 -1.964 1.00 0.00 H new ATOM 447 N LYS A 33 2.739 -2.594 -3.367 1.00 0.00 N ATOM 448 CA LYS A 33 1.966 -2.195 -4.531 1.00 0.00 C ATOM 449 C LYS A 33 1.426 -3.444 -5.231 1.00 0.00 C ATOM 450 O LYS A 33 0.217 -3.583 -5.413 1.00 0.00 O ATOM 451 CB LYS A 33 2.799 -1.292 -5.443 1.00 0.00 C ATOM 452 CG LYS A 33 1.905 -0.527 -6.421 1.00 0.00 C ATOM 453 CD LYS A 33 2.727 0.447 -7.267 1.00 0.00 C ATOM 454 CE LYS A 33 2.954 -0.106 -8.676 1.00 0.00 C ATOM 455 NZ LYS A 33 4.114 0.557 -9.313 1.00 0.00 N ATOM 0 H LYS A 33 3.704 -2.265 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 33 1.104 -1.599 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.370 -0.587 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.519 -1.894 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.386 -1.231 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.141 0.020 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.212 1.406 -7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.688 0.631 -6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.124 -1.182 -8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.061 0.049 -9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.254 0.170 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.937 1.580 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.967 0.388 -8.743 1.00 0.00 H new ATOM 469 N ASP A 34 2.347 -4.320 -5.604 1.00 0.00 N ATOM 470 CA ASP A 34 1.978 -5.552 -6.279 1.00 0.00 C ATOM 471 C ASP A 34 0.782 -6.183 -5.563 1.00 0.00 C ATOM 472 O ASP A 34 0.015 -6.930 -6.168 1.00 0.00 O ATOM 473 CB ASP A 34 3.129 -6.560 -6.255 1.00 0.00 C ATOM 474 CG ASP A 34 4.228 -6.311 -7.290 1.00 0.00 C ATOM 475 OD1 ASP A 34 3.995 -5.456 -8.171 1.00 0.00 O ATOM 476 OD2 ASP A 34 5.277 -6.981 -7.176 1.00 0.00 O ATOM 0 H ASP A 34 3.348 -4.201 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 34 1.733 -5.309 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.578 -6.553 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.721 -7.558 -6.413 1.00 0.00 H new ATOM 481 N HIS A 35 0.661 -5.859 -4.284 1.00 0.00 N ATOM 482 CA HIS A 35 -0.429 -6.384 -3.479 1.00 0.00 C ATOM 483 C HIS A 35 -1.644 -5.463 -3.597 1.00 0.00 C ATOM 484 O HIS A 35 -2.750 -5.922 -3.880 1.00 0.00 O ATOM 485 CB HIS A 35 0.018 -6.594 -2.031 1.00 0.00 C ATOM 486 CG HIS A 35 -0.953 -7.398 -1.199 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.606 -8.588 -0.584 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.260 -7.169 -0.886 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.666 -9.047 0.066 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.690 -8.166 -0.123 1.00 0.00 N ATOM 0 H HIS A 35 1.300 -5.240 -3.785 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.723 -7.365 -3.853 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.985 -7.097 -2.029 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.164 -5.621 -1.562 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.310 -9.036 -0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.846 -6.320 -1.205 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.711 -9.958 0.644 1.00 0.00 H new ATOM 498 N MET A 36 -1.399 -4.181 -3.373 1.00 0.00 N ATOM 499 CA MET A 36 -2.460 -3.191 -3.451 1.00 0.00 C ATOM 500 C MET A 36 -3.078 -3.158 -4.850 1.00 0.00 C ATOM 501 O MET A 36 -4.295 -3.051 -4.992 1.00 0.00 O ATOM 502 CB MET A 36 -1.896 -1.810 -3.109 1.00 0.00 C ATOM 503 CG MET A 36 -1.599 -1.694 -1.613 1.00 0.00 C ATOM 504 SD MET A 36 -3.086 -1.987 -0.671 1.00 0.00 S ATOM 505 CE MET A 36 -4.299 -1.290 -1.780 1.00 0.00 C ATOM 0 H MET A 36 -0.481 -3.804 -3.137 1.00 0.00 H new ATOM 0 HA MET A 36 -3.238 -3.463 -2.737 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.984 -1.635 -3.679 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.609 -1.039 -3.403 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.831 -2.414 -1.329 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.205 -0.703 -1.388 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.222 -1.096 -1.234 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.919 -0.356 -2.194 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.497 -1.992 -2.590 1.00 0.00 H new ATOM 515 N ARG A 37 -2.211 -3.253 -5.847 1.00 0.00 N ATOM 516 CA ARG A 37 -2.657 -3.235 -7.230 1.00 0.00 C ATOM 517 C ARG A 37 -3.930 -4.070 -7.388 1.00 0.00 C ATOM 518 O ARG A 37 -4.734 -3.818 -8.284 1.00 0.00 O ATOM 519 CB ARG A 37 -1.577 -3.784 -8.164 1.00 0.00 C ATOM 520 CG ARG A 37 -0.237 -3.085 -7.923 1.00 0.00 C ATOM 521 CD ARG A 37 0.267 -2.410 -9.201 1.00 0.00 C ATOM 522 NE ARG A 37 0.659 -3.435 -10.193 1.00 0.00 N ATOM 523 CZ ARG A 37 0.872 -3.180 -11.492 1.00 0.00 C ATOM 524 NH1 ARG A 37 0.732 -1.933 -11.962 1.00 0.00 N ATOM 525 NH2 ARG A 37 1.226 -4.173 -12.320 1.00 0.00 N ATOM 0 H ARG A 37 -1.202 -3.343 -5.725 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.862 -2.199 -7.499 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.465 -4.857 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.883 -3.645 -9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.347 -2.341 -7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.499 -3.811 -7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.512 -1.770 -9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.118 -1.769 -8.972 1.00 0.00 H new ATOM 0 HE ARG A 37 0.774 -4.395 -9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.463 -1.178 -11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.894 -1.739 -12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.333 -5.122 -11.962 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.388 -3.980 -13.308 1.00 0.00 H new ATOM 539 N GLU A 38 -4.072 -5.047 -6.504 1.00 0.00 N ATOM 540 CA GLU A 38 -5.233 -5.920 -6.534 1.00 0.00 C ATOM 541 C GLU A 38 -6.455 -5.161 -7.056 1.00 0.00 C ATOM 542 O GLU A 38 -7.246 -5.705 -7.825 1.00 0.00 O ATOM 543 CB GLU A 38 -5.508 -6.515 -5.152 1.00 0.00 C ATOM 544 CG GLU A 38 -5.081 -7.983 -5.092 1.00 0.00 C ATOM 545 CD GLU A 38 -3.571 -8.124 -5.296 1.00 0.00 C ATOM 546 OE1 GLU A 38 -3.135 -7.946 -6.454 1.00 0.00 O ATOM 547 OE2 GLU A 38 -2.887 -8.407 -4.288 1.00 0.00 O ATOM 0 H GLU A 38 -3.402 -5.253 -5.763 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.024 -6.746 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.971 -5.945 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.570 -6.432 -4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.363 -8.408 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.610 -8.551 -5.858 1.00 0.00 H new ATOM 554 N ALA A 39 -6.570 -3.916 -6.618 1.00 0.00 N ATOM 555 CA ALA A 39 -7.682 -3.077 -7.032 1.00 0.00 C ATOM 556 C ALA A 39 -7.596 -2.830 -8.539 1.00 0.00 C ATOM 557 O ALA A 39 -8.270 -3.500 -9.321 1.00 0.00 O ATOM 558 CB ALA A 39 -7.667 -1.776 -6.227 1.00 0.00 C ATOM 0 H ALA A 39 -5.912 -3.468 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.632 -3.573 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.501 -1.146 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.760 -2.004 -5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.729 -1.249 -6.404 1.00 0.00 H new ATOM 564 N GLY A 40 -6.762 -1.868 -8.903 1.00 0.00 N ATOM 565 CA GLY A 40 -6.579 -1.525 -10.303 1.00 0.00 C ATOM 566 C GLY A 40 -5.122 -1.156 -10.592 1.00 0.00 C ATOM 567 O GLY A 40 -4.220 -1.967 -10.385 1.00 0.00 O ATOM 0 H GLY A 40 -6.205 -1.315 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.876 -2.367 -10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.228 -0.689 -10.564 1.00 0.00 H new ATOM 571 N ASP A 41 -4.937 0.068 -11.064 1.00 0.00 N ATOM 572 CA ASP A 41 -3.605 0.553 -11.383 1.00 0.00 C ATOM 573 C ASP A 41 -3.137 1.507 -10.282 1.00 0.00 C ATOM 574 O ASP A 41 -3.920 2.310 -9.778 1.00 0.00 O ATOM 575 CB ASP A 41 -3.602 1.322 -12.707 1.00 0.00 C ATOM 576 CG ASP A 41 -2.218 1.553 -13.316 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.640 0.558 -13.805 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.769 2.719 -13.279 1.00 0.00 O ATOM 0 H ASP A 41 -5.687 0.738 -11.233 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.942 -0.309 -11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.213 0.778 -13.427 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.079 2.289 -12.549 1.00 0.00 H new ATOM 583 N VAL A 42 -1.863 1.385 -9.941 1.00 0.00 N ATOM 584 CA VAL A 42 -1.281 2.226 -8.908 1.00 0.00 C ATOM 585 C VAL A 42 -0.282 3.192 -9.546 1.00 0.00 C ATOM 586 O VAL A 42 0.620 2.771 -10.269 1.00 0.00 O ATOM 587 CB VAL A 42 -0.658 1.356 -7.815 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.409 2.169 -6.543 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.530 0.134 -7.523 1.00 0.00 C ATOM 0 H VAL A 42 -1.217 0.717 -10.361 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.051 2.828 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 42 0.306 1.000 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.034 1.527 -5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.271 2.992 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.354 2.568 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.064 -0.467 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.515 0.461 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.633 -0.464 -8.428 1.00 0.00 H new ATOM 599 N CYS A 43 -0.475 4.471 -9.256 1.00 0.00 N ATOM 600 CA CYS A 43 0.399 5.500 -9.793 1.00 0.00 C ATOM 601 C CYS A 43 1.415 5.878 -8.714 1.00 0.00 C ATOM 602 O CYS A 43 2.524 6.310 -9.025 1.00 0.00 O ATOM 603 CB CYS A 43 -0.392 6.715 -10.282 1.00 0.00 C ATOM 604 SG CYS A 43 0.756 8.031 -10.829 1.00 0.00 S ATOM 0 H CYS A 43 -1.224 4.818 -8.656 1.00 0.00 H new ATOM 0 HA CYS A 43 0.924 5.115 -10.667 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.046 6.426 -11.105 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.032 7.088 -9.482 1.00 0.00 H new ATOM 0 HG CYS A 43 1.932 7.823 -10.315 1.00 0.00 H new ATOM 610 N TYR A 44 1.001 5.701 -7.468 1.00 0.00 N ATOM 611 CA TYR A 44 1.862 6.018 -6.341 1.00 0.00 C ATOM 612 C TYR A 44 1.905 4.861 -5.341 1.00 0.00 C ATOM 613 O TYR A 44 0.896 4.195 -5.113 1.00 0.00 O ATOM 614 CB TYR A 44 1.237 7.239 -5.663 1.00 0.00 C ATOM 615 CG TYR A 44 2.123 7.877 -4.592 1.00 0.00 C ATOM 616 CD1 TYR A 44 3.050 8.837 -4.945 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.996 7.494 -3.272 1.00 0.00 C ATOM 618 CE1 TYR A 44 3.884 9.438 -3.936 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.829 8.095 -2.264 1.00 0.00 C ATOM 620 CZ TYR A 44 3.732 9.037 -2.646 1.00 0.00 C ATOM 621 OH TYR A 44 4.520 9.605 -1.693 1.00 0.00 O ATOM 0 H TYR A 44 0.081 5.342 -7.214 1.00 0.00 H new ATOM 0 HA TYR A 44 2.882 6.203 -6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.008 7.986 -6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.290 6.945 -5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.150 9.137 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.271 6.743 -2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.613 10.190 -4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.739 7.804 -1.228 1.00 0.00 H new ATOM 0 HH TYR A 44 4.301 9.223 -0.817 1.00 0.00 H new ATOM 631 N ALA A 45 3.083 4.656 -4.771 1.00 0.00 N ATOM 632 CA ALA A 45 3.271 3.591 -3.801 1.00 0.00 C ATOM 633 C ALA A 45 4.403 3.971 -2.845 1.00 0.00 C ATOM 634 O ALA A 45 5.554 4.096 -3.260 1.00 0.00 O ATOM 635 CB ALA A 45 3.542 2.275 -4.533 1.00 0.00 C ATOM 0 H ALA A 45 3.918 5.210 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 45 2.369 3.452 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.683 1.476 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.695 2.035 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.441 2.375 -5.141 1.00 0.00 H new ATOM 641 N ASP A 46 4.037 4.144 -1.584 1.00 0.00 N ATOM 642 CA ASP A 46 5.008 4.507 -0.565 1.00 0.00 C ATOM 643 C ASP A 46 4.800 3.627 0.669 1.00 0.00 C ATOM 644 O ASP A 46 3.748 3.009 0.825 1.00 0.00 O ATOM 645 CB ASP A 46 4.839 5.967 -0.139 1.00 0.00 C ATOM 646 CG ASP A 46 6.032 6.564 0.610 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.169 6.314 0.156 1.00 0.00 O ATOM 648 OD2 ASP A 46 5.779 7.257 1.619 1.00 0.00 O ATOM 0 H ASP A 46 3.081 4.040 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 46 6.005 4.366 -0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.649 6.569 -1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.955 6.045 0.494 1.00 0.00 H new ATOM 653 N VAL A 47 5.820 3.598 1.514 1.00 0.00 N ATOM 654 CA VAL A 47 5.762 2.803 2.729 1.00 0.00 C ATOM 655 C VAL A 47 6.430 3.575 3.870 1.00 0.00 C ATOM 656 O VAL A 47 7.474 4.195 3.676 1.00 0.00 O ATOM 657 CB VAL A 47 6.392 1.430 2.487 1.00 0.00 C ATOM 658 CG1 VAL A 47 7.826 1.567 1.972 1.00 0.00 C ATOM 659 CG2 VAL A 47 6.344 0.574 3.754 1.00 0.00 C ATOM 0 H VAL A 47 6.691 4.112 1.381 1.00 0.00 H new ATOM 0 HA VAL A 47 4.727 2.624 3.019 1.00 0.00 H new ATOM 0 HB VAL A 47 5.807 0.924 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.250 0.576 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.824 2.120 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.427 2.102 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.798 -0.397 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.893 1.074 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.307 0.434 4.059 1.00 0.00 H new ATOM 669 N GLN A 48 5.800 3.511 5.033 1.00 0.00 N ATOM 670 CA GLN A 48 6.320 4.195 6.205 1.00 0.00 C ATOM 671 C GLN A 48 6.865 3.182 7.213 1.00 0.00 C ATOM 672 O GLN A 48 6.513 2.004 7.167 1.00 0.00 O ATOM 673 CB GLN A 48 5.248 5.081 6.842 1.00 0.00 C ATOM 674 CG GLN A 48 5.274 6.489 6.244 1.00 0.00 C ATOM 675 CD GLN A 48 5.313 7.552 7.344 1.00 0.00 C ATOM 676 OE1 GLN A 48 4.338 7.808 8.031 1.00 0.00 O ATOM 677 NE2 GLN A 48 6.492 8.155 7.471 1.00 0.00 N ATOM 0 H GLN A 48 4.934 2.996 5.189 1.00 0.00 H new ATOM 0 HA GLN A 48 7.140 4.841 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.265 4.635 6.689 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.409 5.136 7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.145 6.597 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.393 6.639 5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.267 7.892 6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.621 8.880 8.177 1.00 0.00 H new ATOM 686 N LYS A 49 7.715 3.677 8.100 1.00 0.00 N ATOM 687 CA LYS A 49 8.313 2.829 9.118 1.00 0.00 C ATOM 688 C LYS A 49 7.216 2.305 10.047 1.00 0.00 C ATOM 689 O LYS A 49 6.038 2.604 9.853 1.00 0.00 O ATOM 690 CB LYS A 49 9.432 3.575 9.848 1.00 0.00 C ATOM 691 CG LYS A 49 10.565 2.623 10.234 1.00 0.00 C ATOM 692 CD LYS A 49 11.837 2.936 9.444 1.00 0.00 C ATOM 693 CE LYS A 49 12.538 1.650 9.002 1.00 0.00 C ATOM 694 NZ LYS A 49 12.109 1.268 7.638 1.00 0.00 N ATOM 0 H LYS A 49 8.004 4.655 8.135 1.00 0.00 H new ATOM 0 HA LYS A 49 8.786 1.960 8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.821 4.369 9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.032 4.052 10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.766 2.706 11.302 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.260 1.594 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.588 3.537 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.514 3.531 10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.618 1.792 9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.309 0.845 9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.594 0.393 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.081 1.112 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.350 2.030 6.972 1.00 0.00 H new ATOM 708 N ASP A 50 7.641 1.532 11.036 1.00 0.00 N ATOM 709 CA ASP A 50 6.710 0.964 11.995 1.00 0.00 C ATOM 710 C ASP A 50 5.930 -0.172 11.330 1.00 0.00 C ATOM 711 O ASP A 50 5.969 -1.311 11.794 1.00 0.00 O ATOM 712 CB ASP A 50 5.703 2.012 12.473 1.00 0.00 C ATOM 713 CG ASP A 50 5.114 1.757 13.862 1.00 0.00 C ATOM 714 OD1 ASP A 50 5.749 0.988 14.615 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.042 2.336 14.139 1.00 0.00 O ATOM 0 H ASP A 50 8.618 1.286 11.193 1.00 0.00 H new ATOM 0 HA ASP A 50 7.284 0.601 12.847 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.190 2.987 12.475 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.887 2.064 11.753 1.00 0.00 H new ATOM 720 N GLY A 51 5.239 0.177 10.255 1.00 0.00 N ATOM 721 CA GLY A 51 4.451 -0.799 9.522 1.00 0.00 C ATOM 722 C GLY A 51 3.273 -0.130 8.811 1.00 0.00 C ATOM 723 O GLY A 51 2.155 -0.643 8.838 1.00 0.00 O ATOM 0 H GLY A 51 5.208 1.123 9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.081 -1.306 8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.081 -1.562 10.207 1.00 0.00 H new ATOM 727 N MET A 52 3.564 1.004 8.191 1.00 0.00 N ATOM 728 CA MET A 52 2.542 1.748 7.474 1.00 0.00 C ATOM 729 C MET A 52 2.778 1.688 5.964 1.00 0.00 C ATOM 730 O MET A 52 3.891 1.413 5.516 1.00 0.00 O ATOM 731 CB MET A 52 2.555 3.207 7.935 1.00 0.00 C ATOM 732 CG MET A 52 1.580 3.425 9.094 1.00 0.00 C ATOM 733 SD MET A 52 0.567 4.860 8.778 1.00 0.00 S ATOM 734 CE MET A 52 -0.592 4.725 10.128 1.00 0.00 C ATOM 0 H MET A 52 4.492 1.426 8.170 1.00 0.00 H new ATOM 0 HA MET A 52 1.573 1.298 7.690 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.562 3.485 8.245 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.287 3.858 7.102 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.949 2.545 9.220 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.132 3.557 10.025 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.601 4.614 9.731 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.343 3.855 10.736 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.541 5.624 10.743 1.00 0.00 H new ATOM 744 N GLY A 53 1.714 1.949 5.220 1.00 0.00 N ATOM 745 CA GLY A 53 1.791 1.928 3.769 1.00 0.00 C ATOM 746 C GLY A 53 0.760 2.874 3.151 1.00 0.00 C ATOM 747 O GLY A 53 -0.226 3.229 3.794 1.00 0.00 O ATOM 0 H GLY A 53 0.793 2.176 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.792 2.218 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.622 0.914 3.407 1.00 0.00 H new ATOM 751 N MET A 54 1.024 3.257 1.910 1.00 0.00 N ATOM 752 CA MET A 54 0.132 4.155 1.198 1.00 0.00 C ATOM 753 C MET A 54 0.174 3.890 -0.308 1.00 0.00 C ATOM 754 O MET A 54 1.208 3.493 -0.843 1.00 0.00 O ATOM 755 CB MET A 54 0.539 5.604 1.473 1.00 0.00 C ATOM 756 CG MET A 54 -0.619 6.563 1.192 1.00 0.00 C ATOM 757 SD MET A 54 0.011 8.196 0.843 1.00 0.00 S ATOM 758 CE MET A 54 -0.294 8.278 -0.914 1.00 0.00 C ATOM 0 H MET A 54 1.844 2.961 1.380 1.00 0.00 H new ATOM 0 HA MET A 54 -0.885 3.981 1.550 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.856 5.705 2.511 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.394 5.869 0.851 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.204 6.202 0.346 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.289 6.599 2.051 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.124 9.296 -1.266 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.381 7.598 -1.433 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.326 7.991 -1.118 1.00 0.00 H new ATOM 768 N VAL A 55 -0.962 4.122 -0.950 1.00 0.00 N ATOM 769 CA VAL A 55 -1.067 3.913 -2.384 1.00 0.00 C ATOM 770 C VAL A 55 -2.164 4.819 -2.947 1.00 0.00 C ATOM 771 O VAL A 55 -3.066 5.234 -2.221 1.00 0.00 O ATOM 772 CB VAL A 55 -1.305 2.431 -2.681 1.00 0.00 C ATOM 773 CG1 VAL A 55 -0.045 1.778 -3.254 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.786 1.692 -1.431 1.00 0.00 C ATOM 0 H VAL A 55 -1.817 4.453 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.135 4.184 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.090 2.361 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.241 0.725 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.236 2.279 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.769 1.864 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.948 0.641 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.033 1.775 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.721 2.133 -1.084 1.00 0.00 H new ATOM 784 N GLU A 56 -2.051 5.099 -4.237 1.00 0.00 N ATOM 785 CA GLU A 56 -3.022 5.948 -4.907 1.00 0.00 C ATOM 786 C GLU A 56 -3.650 5.207 -6.088 1.00 0.00 C ATOM 787 O GLU A 56 -2.970 4.457 -6.788 1.00 0.00 O ATOM 788 CB GLU A 56 -2.381 7.261 -5.361 1.00 0.00 C ATOM 789 CG GLU A 56 -1.640 7.938 -4.206 1.00 0.00 C ATOM 790 CD GLU A 56 -0.740 9.065 -4.717 1.00 0.00 C ATOM 791 OE1 GLU A 56 -0.978 9.506 -5.862 1.00 0.00 O ATOM 792 OE2 GLU A 56 0.166 9.460 -3.952 1.00 0.00 O ATOM 0 H GLU A 56 -1.302 4.753 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.812 6.194 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.687 7.067 -6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.150 7.931 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.360 8.338 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.039 7.201 -3.673 1.00 0.00 H new ATOM 799 N TYR A 57 -4.940 5.443 -6.275 1.00 0.00 N ATOM 800 CA TYR A 57 -5.667 4.807 -7.361 1.00 0.00 C ATOM 801 C TYR A 57 -6.216 5.849 -8.338 1.00 0.00 C ATOM 802 O TYR A 57 -6.607 6.941 -7.931 1.00 0.00 O ATOM 803 CB TYR A 57 -6.839 4.070 -6.708 1.00 0.00 C ATOM 804 CG TYR A 57 -6.449 2.752 -6.036 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.694 1.824 -6.724 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.851 2.492 -4.742 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.327 0.583 -6.092 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.484 1.252 -4.110 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.740 0.358 -4.815 1.00 0.00 C ATOM 810 OH TYR A 57 -5.393 -0.813 -4.218 1.00 0.00 O ATOM 0 H TYR A 57 -5.501 6.066 -5.693 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.013 4.139 -7.922 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.297 4.723 -5.965 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.596 3.869 -7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.378 2.028 -7.736 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.441 3.219 -4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.737 -0.152 -6.619 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.793 1.036 -3.098 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.049 -1.435 -4.893 1.00 0.00 H new ATOM 820 N LEU A 58 -6.227 5.473 -9.608 1.00 0.00 N ATOM 821 CA LEU A 58 -6.721 6.361 -10.647 1.00 0.00 C ATOM 822 C LEU A 58 -8.230 6.161 -10.808 1.00 0.00 C ATOM 823 O LEU A 58 -8.829 6.667 -11.755 1.00 0.00 O ATOM 824 CB LEU A 58 -5.933 6.162 -11.942 1.00 0.00 C ATOM 825 CG LEU A 58 -4.413 6.296 -11.830 1.00 0.00 C ATOM 826 CD1 LEU A 58 -4.032 7.458 -10.911 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.778 4.979 -11.382 1.00 0.00 C ATOM 0 H LEU A 58 -5.902 4.566 -9.941 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.565 7.402 -10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.162 5.172 -12.335 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.289 6.886 -12.675 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.016 6.524 -12.819 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.946 7.532 -10.848 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.436 8.387 -11.313 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.442 7.284 -9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.697 5.102 -11.310 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.176 4.696 -10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.007 4.199 -12.108 1.00 0.00 H new ATOM 839 N ARG A 59 -8.800 5.422 -9.868 1.00 0.00 N ATOM 840 CA ARG A 59 -10.227 5.149 -9.893 1.00 0.00 C ATOM 841 C ARG A 59 -10.770 5.026 -8.468 1.00 0.00 C ATOM 842 O ARG A 59 -10.195 4.322 -7.640 1.00 0.00 O ATOM 843 CB ARG A 59 -10.527 3.859 -10.659 1.00 0.00 C ATOM 844 CG ARG A 59 -10.476 4.093 -12.170 1.00 0.00 C ATOM 845 CD ARG A 59 -11.660 4.943 -12.633 1.00 0.00 C ATOM 846 NE ARG A 59 -12.205 4.404 -13.900 1.00 0.00 N ATOM 847 CZ ARG A 59 -13.382 4.768 -14.426 1.00 0.00 C ATOM 848 NH1 ARG A 59 -14.145 5.674 -13.799 1.00 0.00 N ATOM 849 NH2 ARG A 59 -13.797 4.227 -15.579 1.00 0.00 N ATOM 0 H ARG A 59 -8.299 5.004 -9.084 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.715 5.982 -10.400 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.805 3.091 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.512 3.486 -10.378 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.542 4.590 -12.433 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.486 3.135 -12.690 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.436 4.949 -11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.343 5.976 -12.774 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.650 3.712 -14.404 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.830 6.087 -12.921 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.041 5.951 -14.200 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.217 3.538 -16.057 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.693 4.504 -15.979 1.00 0.00 H new ATOM 863 N LYS A 60 -11.871 5.722 -8.226 1.00 0.00 N ATOM 864 CA LYS A 60 -12.498 5.700 -6.916 1.00 0.00 C ATOM 865 C LYS A 60 -12.919 4.268 -6.581 1.00 0.00 C ATOM 866 O LYS A 60 -12.488 3.710 -5.573 1.00 0.00 O ATOM 867 CB LYS A 60 -13.646 6.709 -6.854 1.00 0.00 C ATOM 868 CG LYS A 60 -14.295 6.717 -5.468 1.00 0.00 C ATOM 869 CD LYS A 60 -15.541 7.604 -5.452 1.00 0.00 C ATOM 870 CE LYS A 60 -16.286 7.479 -4.121 1.00 0.00 C ATOM 871 NZ LYS A 60 -16.786 8.800 -3.680 1.00 0.00 N ATOM 0 H LYS A 60 -12.345 6.305 -8.916 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.789 6.012 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.272 7.705 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.393 6.462 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.564 5.700 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.579 7.076 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.254 8.643 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.203 7.322 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.120 6.785 -4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.621 7.064 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.289 8.697 -2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.985 9.452 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.437 9.182 -4.396 1.00 0.00 H new ATOM 885 N GLU A 61 -13.756 3.714 -7.446 1.00 0.00 N ATOM 886 CA GLU A 61 -14.240 2.357 -7.254 1.00 0.00 C ATOM 887 C GLU A 61 -13.074 1.415 -6.952 1.00 0.00 C ATOM 888 O GLU A 61 -13.071 0.732 -5.929 1.00 0.00 O ATOM 889 CB GLU A 61 -15.030 1.880 -8.475 1.00 0.00 C ATOM 890 CG GLU A 61 -16.502 2.283 -8.368 1.00 0.00 C ATOM 891 CD GLU A 61 -17.418 1.124 -8.765 1.00 0.00 C ATOM 892 OE1 GLU A 61 -17.564 0.205 -7.931 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.951 1.184 -9.894 1.00 0.00 O ATOM 0 H GLU A 61 -14.111 4.180 -8.281 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.916 2.350 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.598 2.305 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.951 0.796 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.724 2.594 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.696 3.141 -9.012 1.00 0.00 H new ATOM 900 N ASP A 62 -12.110 1.408 -7.861 1.00 0.00 N ATOM 901 CA ASP A 62 -10.940 0.560 -7.705 1.00 0.00 C ATOM 902 C ASP A 62 -10.398 0.704 -6.282 1.00 0.00 C ATOM 903 O ASP A 62 -9.811 -0.232 -5.740 1.00 0.00 O ATOM 904 CB ASP A 62 -9.831 0.968 -8.677 1.00 0.00 C ATOM 905 CG ASP A 62 -10.028 0.496 -10.119 1.00 0.00 C ATOM 906 OD1 ASP A 62 -11.039 -0.199 -10.355 1.00 0.00 O ATOM 907 OD2 ASP A 62 -9.163 0.842 -10.952 1.00 0.00 O ATOM 0 H ASP A 62 -12.115 1.976 -8.708 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.239 -0.468 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.748 2.055 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.883 0.575 -8.309 1.00 0.00 H new ATOM 912 N MET A 63 -10.615 1.882 -5.716 1.00 0.00 N ATOM 913 CA MET A 63 -10.155 2.160 -4.366 1.00 0.00 C ATOM 914 C MET A 63 -10.920 1.318 -3.342 1.00 0.00 C ATOM 915 O MET A 63 -10.352 0.421 -2.722 1.00 0.00 O ATOM 916 CB MET A 63 -10.352 3.645 -4.055 1.00 0.00 C ATOM 917 CG MET A 63 -9.354 4.120 -2.997 1.00 0.00 C ATOM 918 SD MET A 63 -10.226 4.808 -1.600 1.00 0.00 S ATOM 919 CE MET A 63 -11.442 5.799 -2.451 1.00 0.00 C ATOM 0 H MET A 63 -11.103 2.655 -6.168 1.00 0.00 H new ATOM 0 HA MET A 63 -9.098 1.904 -4.302 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.228 4.231 -4.966 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.369 3.815 -3.703 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.731 3.286 -2.673 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.687 4.869 -3.425 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.741 6.633 -1.816 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.015 6.183 -3.377 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.314 5.187 -2.681 1.00 0.00 H new ATOM 929 N GLU A 64 -12.198 1.637 -3.198 1.00 0.00 N ATOM 930 CA GLU A 64 -13.047 0.922 -2.260 1.00 0.00 C ATOM 931 C GLU A 64 -12.849 -0.588 -2.410 1.00 0.00 C ATOM 932 O GLU A 64 -12.806 -1.314 -1.418 1.00 0.00 O ATOM 933 CB GLU A 64 -14.516 1.303 -2.450 1.00 0.00 C ATOM 934 CG GLU A 64 -14.756 2.767 -2.073 1.00 0.00 C ATOM 935 CD GLU A 64 -16.231 3.016 -1.753 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.683 2.490 -0.713 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.874 3.727 -2.556 1.00 0.00 O ATOM 0 H GLU A 64 -12.666 2.381 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.759 1.208 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.807 1.139 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.145 0.658 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.144 3.029 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.444 3.413 -2.893 1.00 0.00 H new ATOM 944 N TYR A 65 -12.733 -1.016 -3.659 1.00 0.00 N ATOM 945 CA TYR A 65 -12.540 -2.426 -3.951 1.00 0.00 C ATOM 946 C TYR A 65 -11.405 -3.011 -3.108 1.00 0.00 C ATOM 947 O TYR A 65 -11.634 -3.884 -2.273 1.00 0.00 O ATOM 948 CB TYR A 65 -12.152 -2.501 -5.429 1.00 0.00 C ATOM 949 CG TYR A 65 -11.760 -3.903 -5.900 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.483 -4.375 -5.674 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.684 -4.696 -6.550 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.115 -5.695 -6.117 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.316 -6.016 -6.993 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.049 -6.450 -6.754 1.00 0.00 C ATOM 955 OH TYR A 65 -10.701 -7.697 -7.172 1.00 0.00 O ATOM 0 H TYR A 65 -12.769 -0.411 -4.480 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.444 -2.991 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.988 -2.147 -6.032 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.319 -1.822 -5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.760 -3.755 -5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.683 -4.326 -6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.119 -6.077 -5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.029 -6.647 -7.503 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.468 -8.121 -7.610 1.00 0.00 H new ATOM 965 N ALA A 66 -10.205 -2.506 -3.357 1.00 0.00 N ATOM 966 CA ALA A 66 -9.034 -2.967 -2.631 1.00 0.00 C ATOM 967 C ALA A 66 -9.256 -2.763 -1.131 1.00 0.00 C ATOM 968 O ALA A 66 -8.885 -3.613 -0.323 1.00 0.00 O ATOM 969 CB ALA A 66 -7.794 -2.232 -3.142 1.00 0.00 C ATOM 0 H ALA A 66 -10.019 -1.782 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.874 -4.032 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.916 -2.578 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.664 -2.433 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.917 -1.160 -2.988 1.00 0.00 H new ATOM 975 N LEU A 67 -9.860 -1.630 -0.803 1.00 0.00 N ATOM 976 CA LEU A 67 -10.135 -1.303 0.585 1.00 0.00 C ATOM 977 C LEU A 67 -10.828 -2.490 1.256 1.00 0.00 C ATOM 978 O LEU A 67 -10.336 -3.019 2.252 1.00 0.00 O ATOM 979 CB LEU A 67 -10.924 0.005 0.682 1.00 0.00 C ATOM 980 CG LEU A 67 -10.105 1.292 0.572 1.00 0.00 C ATOM 981 CD1 LEU A 67 -11.017 2.514 0.449 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.128 1.422 1.743 1.00 0.00 C ATOM 0 H LEU A 67 -10.167 -0.927 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.205 -1.128 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.679 0.010 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.455 0.016 1.634 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.510 1.241 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.409 3.415 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.637 2.417 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.656 2.581 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.558 2.345 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.684 1.441 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.445 0.572 1.743 1.00 0.00 H new ATOM 994 N ARG A 68 -11.960 -2.875 0.684 1.00 0.00 N ATOM 995 CA ARG A 68 -12.725 -3.990 1.215 1.00 0.00 C ATOM 996 C ARG A 68 -12.013 -5.311 0.919 1.00 0.00 C ATOM 997 O ARG A 68 -11.528 -5.977 1.833 1.00 0.00 O ATOM 998 CB ARG A 68 -14.130 -4.030 0.611 1.00 0.00 C ATOM 999 CG ARG A 68 -14.820 -2.670 0.736 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.076 -2.318 2.203 1.00 0.00 C ATOM 1001 NE ARG A 68 -14.220 -1.180 2.607 1.00 0.00 N ATOM 1002 CZ ARG A 68 -14.492 0.102 2.326 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -15.598 0.416 1.639 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -13.658 1.068 2.732 1.00 0.00 N ATOM 0 H ARG A 68 -12.365 -2.434 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.808 -3.852 2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.070 -4.316 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.725 -4.791 1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.200 -1.900 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.764 -2.686 0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -16.126 -2.063 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.869 -3.182 2.834 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.370 -1.384 3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.233 -0.320 1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.806 1.391 1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.816 0.828 3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.865 2.044 2.518 1.00 0.00 H new ATOM 1018 N LYS A 69 -11.971 -5.651 -0.360 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.325 -6.881 -0.788 1.00 0.00 C ATOM 1020 C LYS A 69 -10.119 -7.157 0.111 1.00 0.00 C ATOM 1021 O LYS A 69 -10.073 -8.176 0.799 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.981 -6.816 -2.277 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.163 -7.273 -3.134 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.295 -6.244 -3.100 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.431 -6.648 -4.042 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.272 -5.476 -4.372 1.00 0.00 N ATOM 0 H LYS A 69 -12.374 -5.096 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.004 -7.726 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.705 -5.796 -2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.115 -7.445 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.834 -7.424 -4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.529 -8.234 -2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.677 -6.151 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.910 -5.265 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.019 -7.076 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.041 -7.421 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.193 -5.800 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.415 -4.900 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.799 -4.904 -5.100 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.171 -6.232 0.076 1.00 0.00 N ATOM 1041 CA LEU A 70 -7.967 -6.363 0.879 1.00 0.00 C ATOM 1042 C LEU A 70 -8.342 -6.332 2.362 1.00 0.00 C ATOM 1043 O LEU A 70 -8.074 -7.283 3.095 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.940 -5.301 0.482 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.686 -5.142 -1.018 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.810 -3.919 -1.299 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.092 -6.420 -1.613 1.00 0.00 C ATOM 0 H LEU A 70 -9.212 -5.389 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.487 -7.323 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.268 -4.340 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.994 -5.540 0.967 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.644 -4.973 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.645 -3.829 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.309 -3.022 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.852 -4.034 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.921 -6.279 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.146 -6.645 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.785 -7.248 -1.462 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.957 -5.228 2.761 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.372 -5.060 4.143 1.00 0.00 C ATOM 1061 C ASP A 71 -8.780 -6.189 4.990 1.00 0.00 C ATOM 1062 O ASP A 71 -9.480 -7.137 5.343 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.895 -5.120 4.273 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.450 -4.635 5.613 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -10.621 -4.241 6.462 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.691 -4.668 5.759 1.00 0.00 O ATOM 0 H ASP A 71 -9.178 -4.441 2.151 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.020 -4.087 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.336 -4.521 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.218 -6.149 4.114 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.497 -6.050 5.291 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.804 -7.046 6.089 1.00 0.00 C ATOM 1073 C ASP A 72 -6.381 -8.210 5.190 1.00 0.00 C ATOM 1074 O ASP A 72 -7.203 -9.054 4.834 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.712 -7.603 7.187 1.00 0.00 C ATOM 1076 CG ASP A 72 -7.010 -7.919 8.508 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.768 -8.056 8.473 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.731 -8.017 9.525 1.00 0.00 O ATOM 0 H ASP A 72 -6.920 -5.262 4.996 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.938 -6.567 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.508 -6.883 7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.187 -8.512 6.818 1.00 0.00 H new ATOM 1083 N THR A 73 -5.101 -8.218 4.848 1.00 0.00 N ATOM 1084 CA THR A 73 -4.560 -9.264 3.998 1.00 0.00 C ATOM 1085 C THR A 73 -3.218 -9.755 4.544 1.00 0.00 C ATOM 1086 O THR A 73 -2.680 -9.179 5.488 1.00 0.00 O ATOM 1087 CB THR A 73 -4.471 -8.716 2.572 1.00 0.00 C ATOM 1088 OG1 THR A 73 -3.829 -7.453 2.725 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.844 -8.367 1.992 1.00 0.00 C ATOM 0 H THR A 73 -4.423 -7.516 5.145 1.00 0.00 H new ATOM 0 HA THR A 73 -5.210 -10.139 3.986 1.00 0.00 H new ATOM 0 HB THR A 73 -3.982 -9.450 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.299 -7.256 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.724 -7.983 0.979 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.467 -9.261 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.320 -7.608 2.614 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.716 -10.815 3.927 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.447 -11.390 4.340 1.00 0.00 C ATOM 1099 C LYS A 74 -0.347 -10.925 3.385 1.00 0.00 C ATOM 1100 O LYS A 74 -0.199 -11.467 2.291 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.560 -12.912 4.453 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.177 -13.560 4.528 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.283 -15.037 4.914 1.00 0.00 C ATOM 1104 CE LYS A 74 0.563 -15.909 3.984 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.685 -17.280 4.529 1.00 0.00 N ATOM 0 H LYS A 74 -3.165 -11.290 3.144 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.175 -11.039 5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.136 -13.173 5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.103 -13.305 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.325 -13.467 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.436 -13.033 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.046 -15.172 5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.325 -15.355 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.108 -15.944 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.553 -15.469 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.262 -17.859 3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.140 -17.243 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.261 -17.703 4.621 1.00 0.00 H new ATOM 1119 N PHE A 75 0.398 -9.925 3.834 1.00 0.00 N ATOM 1120 CA PHE A 75 1.481 -9.380 3.033 1.00 0.00 C ATOM 1121 C PHE A 75 2.788 -10.131 3.295 1.00 0.00 C ATOM 1122 O PHE A 75 3.091 -10.479 4.436 1.00 0.00 O ATOM 1123 CB PHE A 75 1.654 -7.918 3.450 1.00 0.00 C ATOM 1124 CG PHE A 75 2.815 -7.206 2.752 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.847 -7.126 1.395 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.815 -6.652 3.490 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.924 -6.465 0.748 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.892 -5.991 2.842 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.924 -5.911 1.485 1.00 0.00 C ATOM 0 H PHE A 75 0.273 -9.478 4.742 1.00 0.00 H new ATOM 0 HA PHE A 75 1.245 -9.475 1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.731 -7.379 3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.809 -7.874 4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.053 -7.565 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.790 -6.715 4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.949 -6.402 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.686 -5.552 3.427 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.743 -5.408 0.993 1.00 0.00 H new ATOM 1139 N ARG A 76 3.529 -10.359 2.220 1.00 0.00 N ATOM 1140 CA ARG A 76 4.796 -11.062 2.320 1.00 0.00 C ATOM 1141 C ARG A 76 5.957 -10.106 2.039 1.00 0.00 C ATOM 1142 O ARG A 76 6.127 -9.644 0.912 1.00 0.00 O ATOM 1143 CB ARG A 76 4.857 -12.230 1.333 1.00 0.00 C ATOM 1144 CG ARG A 76 6.102 -13.087 1.573 1.00 0.00 C ATOM 1145 CD ARG A 76 6.170 -14.247 0.578 1.00 0.00 C ATOM 1146 NE ARG A 76 7.435 -14.184 -0.187 1.00 0.00 N ATOM 1147 CZ ARG A 76 7.782 -15.062 -1.138 1.00 0.00 C ATOM 1148 NH1 ARG A 76 6.961 -16.075 -1.447 1.00 0.00 N ATOM 1149 NH2 ARG A 76 8.950 -14.926 -1.781 1.00 0.00 N ATOM 0 H ARG A 76 3.276 -10.069 1.276 1.00 0.00 H new ATOM 0 HA ARG A 76 4.879 -11.453 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.963 -12.845 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.865 -11.848 0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.996 -12.470 1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.089 -13.477 2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.103 -15.197 1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.321 -14.203 -0.104 1.00 0.00 H new ATOM 0 HE ARG A 76 8.083 -13.425 0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.072 -16.178 -0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.225 -16.743 -2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.574 -14.154 -1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.214 -15.594 -2.505 1.00 0.00 H new ATOM 1163 N SER A 77 6.726 -9.837 3.085 1.00 0.00 N ATOM 1164 CA SER A 77 7.866 -8.944 2.965 1.00 0.00 C ATOM 1165 C SER A 77 8.901 -9.542 2.010 1.00 0.00 C ATOM 1166 O SER A 77 8.875 -10.740 1.732 1.00 0.00 O ATOM 1167 CB SER A 77 8.498 -8.673 4.331 1.00 0.00 C ATOM 1168 OG SER A 77 9.448 -9.674 4.688 1.00 0.00 O ATOM 0 H SER A 77 6.582 -10.222 4.019 1.00 0.00 H new ATOM 0 HA SER A 77 7.516 -7.994 2.562 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.986 -7.698 4.318 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.717 -8.628 5.090 1.00 0.00 H new ATOM 0 HG SER A 77 9.172 -10.536 4.311 1.00 0.00 H new ATOM 1174 N HIS A 78 9.788 -8.680 1.535 1.00 0.00 N ATOM 1175 CA HIS A 78 10.830 -9.108 0.617 1.00 0.00 C ATOM 1176 C HIS A 78 11.785 -10.064 1.335 1.00 0.00 C ATOM 1177 O HIS A 78 12.595 -10.734 0.695 1.00 0.00 O ATOM 1178 CB HIS A 78 11.546 -7.901 0.007 1.00 0.00 C ATOM 1179 CG HIS A 78 12.781 -7.473 0.763 1.00 0.00 C ATOM 1180 ND1 HIS A 78 13.920 -7.003 0.134 1.00 0.00 N ATOM 1181 CD2 HIS A 78 13.042 -7.448 2.102 1.00 0.00 C ATOM 1182 CE1 HIS A 78 14.820 -6.712 1.061 1.00 0.00 C ATOM 1183 NE2 HIS A 78 14.274 -6.989 2.280 1.00 0.00 N ATOM 0 H HIS A 78 9.807 -7.687 1.769 1.00 0.00 H new ATOM 0 HA HIS A 78 10.385 -9.652 -0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.825 -8.138 -1.020 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.851 -7.063 -0.037 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.361 -7.750 2.884 1.00 0.00 H new ATOM 0 HE1 HIS A 78 15.812 -6.324 0.883 1.00 0.00 H new ATOM 0 HE2 HIS A 78 14.737 -6.864 3.180 1.00 0.00 H new ATOM 1191 N GLU A 79 11.659 -10.096 2.653 1.00 0.00 N ATOM 1192 CA GLU A 79 12.501 -10.959 3.464 1.00 0.00 C ATOM 1193 C GLU A 79 11.807 -12.300 3.709 1.00 0.00 C ATOM 1194 O GLU A 79 12.400 -13.215 4.279 1.00 0.00 O ATOM 1195 CB GLU A 79 12.867 -10.281 4.787 1.00 0.00 C ATOM 1196 CG GLU A 79 14.190 -9.522 4.667 1.00 0.00 C ATOM 1197 CD GLU A 79 15.377 -10.487 4.668 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.721 -10.965 3.566 1.00 0.00 O ATOM 1199 OE2 GLU A 79 15.914 -10.725 5.772 1.00 0.00 O ATOM 0 H GLU A 79 10.987 -9.538 3.180 1.00 0.00 H new ATOM 0 HA GLU A 79 13.427 -11.146 2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.074 -9.592 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.944 -11.030 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.195 -8.935 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.287 -8.820 5.495 1.00 0.00 H new ATOM 1206 N GLY A 80 10.561 -12.375 3.266 1.00 0.00 N ATOM 1207 CA GLY A 80 9.780 -13.589 3.429 1.00 0.00 C ATOM 1208 C GLY A 80 8.787 -13.451 4.585 1.00 0.00 C ATOM 1209 O GLY A 80 7.713 -14.051 4.561 1.00 0.00 O ATOM 0 H GLY A 80 10.073 -11.614 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.242 -13.806 2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.446 -14.432 3.615 1.00 0.00 H new ATOM 1213 N GLU A 81 9.180 -12.657 5.569 1.00 0.00 N ATOM 1214 CA GLU A 81 8.338 -12.432 6.732 1.00 0.00 C ATOM 1215 C GLU A 81 6.931 -12.020 6.296 1.00 0.00 C ATOM 1216 O GLU A 81 6.772 -11.167 5.424 1.00 0.00 O ATOM 1217 CB GLU A 81 8.954 -11.383 7.660 1.00 0.00 C ATOM 1218 CG GLU A 81 9.969 -12.020 8.611 1.00 0.00 C ATOM 1219 CD GLU A 81 10.833 -10.953 9.287 1.00 0.00 C ATOM 1220 OE1 GLU A 81 10.352 -10.388 10.293 1.00 0.00 O ATOM 1221 OE2 GLU A 81 11.953 -10.727 8.782 1.00 0.00 O ATOM 0 H GLU A 81 10.071 -12.161 5.585 1.00 0.00 H new ATOM 0 HA GLU A 81 8.266 -13.365 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.442 -10.609 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.168 -10.895 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.446 -12.603 9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.605 -12.712 8.059 1.00 0.00 H new ATOM 1228 N THR A 82 5.945 -12.645 6.923 1.00 0.00 N ATOM 1229 CA THR A 82 4.556 -12.354 6.611 1.00 0.00 C ATOM 1230 C THR A 82 3.888 -11.627 7.780 1.00 0.00 C ATOM 1231 O THR A 82 4.256 -11.832 8.935 1.00 0.00 O ATOM 1232 CB THR A 82 3.869 -13.670 6.241 1.00 0.00 C ATOM 1233 OG1 THR A 82 4.437 -14.622 7.136 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.276 -14.173 4.854 1.00 0.00 C ATOM 0 H THR A 82 6.081 -13.352 7.646 1.00 0.00 H new ATOM 0 HA THR A 82 4.475 -11.678 5.760 1.00 0.00 H new ATOM 0 HB THR A 82 2.788 -13.537 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.046 -15.504 6.966 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.760 -15.109 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.005 -13.430 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.353 -14.338 4.828 1.00 0.00 H new ATOM 1242 N SER A 83 2.916 -10.794 7.439 1.00 0.00 N ATOM 1243 CA SER A 83 2.193 -10.035 8.445 1.00 0.00 C ATOM 1244 C SER A 83 0.841 -9.583 7.889 1.00 0.00 C ATOM 1245 O SER A 83 0.680 -9.442 6.677 1.00 0.00 O ATOM 1246 CB SER A 83 3.005 -8.827 8.914 1.00 0.00 C ATOM 1247 OG SER A 83 4.260 -9.210 9.469 1.00 0.00 O ATOM 0 H SER A 83 2.612 -10.628 6.480 1.00 0.00 H new ATOM 0 HA SER A 83 2.026 -10.682 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.171 -8.153 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.433 -8.273 9.659 1.00 0.00 H new ATOM 0 HG SER A 83 4.240 -10.163 9.695 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.096 -9.368 8.800 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.429 -8.935 8.416 1.00 0.00 C ATOM 1255 C TYR A 84 -1.514 -7.408 8.359 1.00 0.00 C ATOM 1256 O TYR A 84 -1.290 -6.733 9.363 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.370 -9.446 9.508 1.00 0.00 C ATOM 1258 CG TYR A 84 -2.830 -10.891 9.307 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.193 -11.332 8.050 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -2.881 -11.755 10.382 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -3.625 -12.692 7.861 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -3.313 -13.115 10.193 1.00 0.00 C ATOM 1263 CZ TYR A 84 -3.664 -13.517 8.942 1.00 0.00 C ATOM 1264 OH TYR A 84 -4.072 -14.802 8.763 1.00 0.00 O ATOM 0 H TYR A 84 0.041 -9.486 9.804 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.688 -9.319 7.429 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.868 -9.366 10.472 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.246 -8.799 9.550 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.153 -10.656 7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.597 -11.411 11.365 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.912 -13.049 6.883 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.357 -13.801 11.026 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.049 -15.275 9.621 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.838 -6.909 7.175 1.00 0.00 N ATOM 1275 CA ILE A 85 -1.955 -5.474 6.975 1.00 0.00 C ATOM 1276 C ILE A 85 -3.410 -5.126 6.655 1.00 0.00 C ATOM 1277 O ILE A 85 -4.031 -5.760 5.804 1.00 0.00 O ATOM 1278 CB ILE A 85 -0.961 -4.999 5.914 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.222 -5.684 4.571 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.481 -5.194 6.386 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.806 -4.785 3.406 1.00 0.00 C ATOM 0 H ILE A 85 -2.023 -7.472 6.345 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.692 -4.939 7.887 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.109 -3.930 5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.671 -6.623 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.280 -5.931 4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.167 -4.848 5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.645 -4.622 7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.660 -6.251 6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.002 -5.296 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.376 -3.857 3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.258 -4.560 3.482 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.911 -4.118 7.355 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.282 -3.678 7.156 1.00 0.00 C ATOM 1295 C ARG A 86 -5.336 -2.576 6.096 1.00 0.00 C ATOM 1296 O ARG A 86 -4.371 -1.835 5.915 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.886 -3.152 8.460 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.687 -4.244 9.172 1.00 0.00 C ATOM 1299 CD ARG A 86 -8.189 -4.054 8.950 1.00 0.00 C ATOM 1300 NE ARG A 86 -8.844 -3.674 10.222 1.00 0.00 N ATOM 1301 CZ ARG A 86 -9.169 -4.543 11.189 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -8.901 -5.847 11.035 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -9.761 -4.108 12.309 1.00 0.00 N ATOM 0 H ARG A 86 -3.393 -3.594 8.060 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.862 -4.538 6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.092 -2.793 9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.533 -2.301 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.382 -5.223 8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.468 -4.223 10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.359 -3.283 8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.628 -4.975 8.566 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.062 -2.689 10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.450 -6.178 10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.148 -6.509 11.771 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.964 -3.115 12.426 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.008 -4.769 13.045 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.475 -2.503 5.423 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.669 -1.504 4.386 1.00 0.00 C ATOM 1319 C VAL A 87 -7.838 -0.595 4.770 1.00 0.00 C ATOM 1320 O VAL A 87 -8.958 -1.066 4.961 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.863 -2.187 3.031 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.645 -1.200 1.882 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -5.944 -3.402 2.892 1.00 0.00 C ATOM 0 H VAL A 87 -7.273 -3.120 5.576 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.785 -0.874 4.294 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.893 -2.539 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.789 -1.712 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.359 -0.381 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.631 -0.803 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.102 -3.869 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.905 -3.084 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.169 -4.120 3.680 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.537 0.691 4.873 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.549 1.670 5.231 1.00 0.00 C ATOM 1335 C TYR A 88 -8.292 3.006 4.532 1.00 0.00 C ATOM 1336 O TYR A 88 -7.169 3.288 4.117 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.428 1.868 6.743 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.005 2.170 7.219 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.072 1.156 7.291 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -6.656 3.456 7.577 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -4.733 1.440 7.738 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.317 3.740 8.025 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.422 2.718 8.083 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.157 2.986 8.506 1.00 0.00 O ATOM 0 H TYR A 88 -6.607 1.078 4.715 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.539 1.325 4.932 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.083 2.685 7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.786 0.970 7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.346 0.149 7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.387 4.249 7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.993 0.656 7.798 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.030 4.742 8.308 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.534 2.346 8.101 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.380 3.815 4.419 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.282 5.115 3.777 1.00 0.00 C ATOM 1356 C PRO A 89 -8.582 6.125 4.688 1.00 0.00 C ATOM 1357 O PRO A 89 -8.221 5.802 5.818 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.716 5.502 3.453 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.593 4.628 4.335 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.726 3.515 4.898 1.00 0.00 C ATOM 0 HA PRO A 89 -8.675 5.093 2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.890 6.559 3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -10.936 5.338 2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.030 5.217 5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.420 4.213 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.764 3.496 5.987 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.061 2.538 4.551 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.411 7.329 4.161 1.00 0.00 N ATOM 1369 CA GLU A 90 -7.760 8.389 4.913 1.00 0.00 C ATOM 1370 C GLU A 90 -8.805 9.270 5.601 1.00 0.00 C ATOM 1371 O GLU A 90 -9.617 9.911 4.936 1.00 0.00 O ATOM 1372 CB GLU A 90 -6.850 9.223 4.009 1.00 0.00 C ATOM 1373 CG GLU A 90 -6.483 10.550 4.675 1.00 0.00 C ATOM 1374 CD GLU A 90 -4.986 10.838 4.536 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -4.213 10.187 5.272 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -4.649 11.701 3.698 1.00 0.00 O ATOM 0 H GLU A 90 -8.712 7.594 3.223 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.135 7.933 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.943 8.662 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.351 9.415 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.056 11.359 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.755 10.519 5.730 1.00 0.00 H new