USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 554 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 Single : A 11 THR OG1 : rot -136:sc= 0.648 USER MOD Single : A 14 SER OG : rot -76:sc= 0.0797 USER MOD Single : A 22 CYS SG : rot 150:sc= -4.34! USER MOD Single : A 26 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-4.2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0809 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 42 SER OG : rot -76:sc= 1.19 USER MOD Single : A 43 TYR OH : rot 180:sc= -2.58! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=-0.22) USER MOD Single : A 64 SER OG : rot -16:sc= 0.288! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-3.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 101:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.865 -13.053 -1.700 1.00 0.00 N ATOM 137 CA THR A 11 5.199 -13.161 -0.286 1.00 0.00 C ATOM 138 C THR A 11 5.009 -11.825 0.407 1.00 0.00 C ATOM 139 O THR A 11 5.080 -10.771 -0.217 1.00 0.00 O ATOM 140 CB THR A 11 6.644 -13.613 -0.126 1.00 0.00 C ATOM 141 OG1 THR A 11 6.946 -13.739 1.246 1.00 0.00 O ATOM 142 CG2 THR A 11 7.573 -12.592 -0.762 1.00 0.00 C ATOM 0 HA THR A 11 4.535 -13.895 0.170 1.00 0.00 H new ATOM 0 HB THR A 11 6.780 -14.576 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.825 -13.345 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.606 -12.918 -0.646 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.339 -12.498 -1.822 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.441 -11.626 -0.274 1.00 0.00 H new ATOM 150 N LEU A 12 4.756 -11.882 1.699 1.00 0.00 N ATOM 151 CA LEU A 12 4.534 -10.668 2.477 1.00 0.00 C ATOM 152 C LEU A 12 5.612 -9.643 2.166 1.00 0.00 C ATOM 153 O LEU A 12 5.379 -8.433 2.252 1.00 0.00 O ATOM 154 CB LEU A 12 4.560 -10.990 3.978 1.00 0.00 C ATOM 155 CG LEU A 12 3.241 -11.646 4.391 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.096 -13.002 3.680 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.226 -11.859 5.908 1.00 0.00 C ATOM 0 H LEU A 12 4.698 -12.748 2.235 1.00 0.00 H new ATOM 0 HA LEU A 12 3.559 -10.260 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.393 -11.656 4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.718 -10.077 4.552 1.00 0.00 H new ATOM 0 HG LEU A 12 2.411 -10.998 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.156 -13.469 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.103 -12.849 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.926 -13.650 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.286 -12.326 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.056 -12.505 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.325 -10.897 6.411 1.00 0.00 H new ATOM 169 N ASP A 13 6.795 -10.128 1.813 1.00 0.00 N ATOM 170 CA ASP A 13 7.903 -9.237 1.505 1.00 0.00 C ATOM 171 C ASP A 13 7.675 -8.530 0.176 1.00 0.00 C ATOM 172 O ASP A 13 8.000 -7.360 0.039 1.00 0.00 O ATOM 173 CB ASP A 13 9.219 -10.027 1.435 1.00 0.00 C ATOM 174 CG ASP A 13 9.118 -11.282 2.306 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.682 -11.159 3.440 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.455 -12.349 1.819 1.00 0.00 O ATOM 0 H ASP A 13 7.010 -11.122 1.734 1.00 0.00 H new ATOM 0 HA ASP A 13 7.965 -8.493 2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.432 -10.306 0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.046 -9.404 1.774 1.00 0.00 H new ATOM 181 N SER A 14 7.116 -9.254 -0.794 1.00 0.00 N ATOM 182 CA SER A 14 6.853 -8.680 -2.104 1.00 0.00 C ATOM 183 C SER A 14 5.797 -7.586 -2.008 1.00 0.00 C ATOM 184 O SER A 14 5.878 -6.556 -2.694 1.00 0.00 O ATOM 185 CB SER A 14 6.407 -9.765 -3.065 1.00 0.00 C ATOM 186 OG SER A 14 5.252 -10.409 -2.547 1.00 0.00 O ATOM 0 H SER A 14 6.840 -10.231 -0.694 1.00 0.00 H new ATOM 0 HA SER A 14 7.773 -8.233 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.189 -9.334 -4.042 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.208 -10.490 -3.209 1.00 0.00 H new ATOM 0 HG SER A 14 5.513 -11.018 -1.825 1.00 0.00 H new ATOM 192 N LEU A 15 4.795 -7.804 -1.170 1.00 0.00 N ATOM 193 CA LEU A 15 3.743 -6.818 -1.006 1.00 0.00 C ATOM 194 C LEU A 15 4.266 -5.655 -0.179 1.00 0.00 C ATOM 195 O LEU A 15 4.416 -4.544 -0.679 1.00 0.00 O ATOM 196 CB LEU A 15 2.525 -7.463 -0.305 1.00 0.00 C ATOM 197 CG LEU A 15 1.756 -8.323 -1.300 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.709 -9.219 -2.078 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.782 -9.206 -0.533 1.00 0.00 C ATOM 0 H LEU A 15 4.690 -8.644 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 15 3.432 -6.451 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.857 -8.072 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.874 -6.688 0.100 1.00 0.00 H new ATOM 0 HG LEU A 15 1.227 -7.672 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.143 -9.826 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.425 -8.603 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.243 -9.870 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.225 -9.827 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.335 -9.844 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.088 -8.580 0.028 1.00 0.00 H new ATOM 211 N ARG A 16 4.555 -5.919 1.082 1.00 0.00 N ATOM 212 CA ARG A 16 5.040 -4.866 1.970 1.00 0.00 C ATOM 213 C ARG A 16 5.965 -3.901 1.217 1.00 0.00 C ATOM 214 O ARG A 16 5.773 -2.671 1.255 1.00 0.00 O ATOM 215 CB ARG A 16 5.815 -5.503 3.120 1.00 0.00 C ATOM 216 CG ARG A 16 6.456 -4.401 4.006 1.00 0.00 C ATOM 217 CD ARG A 16 7.942 -4.226 3.654 1.00 0.00 C ATOM 218 NE ARG A 16 8.573 -3.326 4.602 1.00 0.00 N ATOM 219 CZ ARG A 16 8.941 -3.750 5.802 1.00 0.00 C ATOM 220 NH1 ARG A 16 8.729 -4.991 6.151 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.514 -2.926 6.632 1.00 0.00 N ATOM 0 H ARG A 16 4.466 -6.838 1.515 1.00 0.00 H new ATOM 0 HA ARG A 16 4.185 -4.306 2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.147 -6.121 3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.590 -6.161 2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.928 -3.458 3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.354 -4.667 5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.444 -5.193 3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.041 -3.831 2.643 1.00 0.00 H new ATOM 0 HE ARG A 16 8.735 -2.354 4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.280 -5.634 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.013 -5.316 7.075 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.678 -1.957 6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.799 -3.249 7.557 1.00 0.00 H new ATOM 235 N VAL A 17 6.953 -4.464 0.516 1.00 0.00 N ATOM 236 CA VAL A 17 7.893 -3.650 -0.249 1.00 0.00 C ATOM 237 C VAL A 17 7.151 -2.881 -1.342 1.00 0.00 C ATOM 238 O VAL A 17 7.482 -1.735 -1.645 1.00 0.00 O ATOM 239 CB VAL A 17 8.966 -4.544 -0.878 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.692 -5.342 0.233 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.303 -5.506 -1.851 1.00 0.00 C ATOM 0 H VAL A 17 7.119 -5.469 0.464 1.00 0.00 H new ATOM 0 HA VAL A 17 8.372 -2.938 0.423 1.00 0.00 H new ATOM 0 HB VAL A 17 9.693 -3.930 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.455 -5.978 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.161 -4.649 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.971 -5.962 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.061 -6.146 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.579 -6.122 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.793 -4.941 -2.631 1.00 0.00 H new ATOM 251 N TRP A 18 6.151 -3.519 -1.942 1.00 0.00 N ATOM 252 CA TRP A 18 5.384 -2.860 -2.994 1.00 0.00 C ATOM 253 C TRP A 18 4.732 -1.585 -2.460 1.00 0.00 C ATOM 254 O TRP A 18 4.822 -0.529 -3.074 1.00 0.00 O ATOM 255 CB TRP A 18 4.296 -3.829 -3.528 1.00 0.00 C ATOM 256 CG TRP A 18 2.920 -3.332 -3.160 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.154 -3.783 -2.133 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.155 -2.265 -3.780 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.995 -3.076 -2.090 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.935 -2.130 -3.079 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.386 -1.410 -4.872 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.008 -1.191 -3.441 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.433 -0.468 -5.239 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.236 -0.363 -4.521 1.00 0.00 C ATOM 0 H TRP A 18 5.857 -4.471 -1.725 1.00 0.00 H new ATOM 0 HA TRP A 18 6.058 -2.589 -3.807 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.380 -3.918 -4.611 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.452 -4.825 -3.114 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.424 -4.580 -1.456 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.257 -3.231 -1.403 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.309 -1.486 -5.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.930 -1.103 -2.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.616 0.185 -6.080 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.502 0.370 -4.813 1.00 0.00 H new ATOM 275 N LEU A 19 4.052 -1.704 -1.329 1.00 0.00 N ATOM 276 CA LEU A 19 3.362 -0.561 -0.745 1.00 0.00 C ATOM 277 C LEU A 19 4.313 0.591 -0.521 1.00 0.00 C ATOM 278 O LEU A 19 4.120 1.680 -1.067 1.00 0.00 O ATOM 279 CB LEU A 19 2.731 -0.984 0.599 1.00 0.00 C ATOM 280 CG LEU A 19 1.188 -1.162 0.461 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.731 -2.366 1.260 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.486 0.110 0.953 1.00 0.00 C ATOM 0 H LEU A 19 3.963 -2.572 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 19 2.586 -0.231 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.180 -1.918 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.947 -0.233 1.359 1.00 0.00 H new ATOM 0 HG LEU A 19 0.931 -1.328 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.348 -2.482 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.230 -3.261 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.982 -2.222 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.593 -0.010 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.741 0.285 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.810 0.960 0.353 1.00 0.00 H new ATOM 294 N VAL A 20 5.338 0.363 0.286 1.00 0.00 N ATOM 295 CA VAL A 20 6.293 1.418 0.568 1.00 0.00 C ATOM 296 C VAL A 20 6.918 1.931 -0.721 1.00 0.00 C ATOM 297 O VAL A 20 6.973 3.139 -0.952 1.00 0.00 O ATOM 298 CB VAL A 20 7.385 0.876 1.500 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.996 -0.389 0.894 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.472 1.931 1.681 1.00 0.00 C ATOM 0 H VAL A 20 5.526 -0.526 0.749 1.00 0.00 H new ATOM 0 HA VAL A 20 5.776 2.246 1.052 1.00 0.00 H new ATOM 0 HB VAL A 20 6.947 0.637 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.771 -0.772 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.220 -1.144 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.433 -0.153 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.247 1.545 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.910 2.173 0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.037 2.830 2.117 1.00 0.00 H new ATOM 310 N ASP A 21 7.386 1.014 -1.555 1.00 0.00 N ATOM 311 CA ASP A 21 8.013 1.401 -2.810 1.00 0.00 C ATOM 312 C ASP A 21 7.042 2.220 -3.657 1.00 0.00 C ATOM 313 O ASP A 21 7.451 3.119 -4.400 1.00 0.00 O ATOM 314 CB ASP A 21 8.439 0.150 -3.583 1.00 0.00 C ATOM 315 CG ASP A 21 9.300 0.536 -4.780 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.371 1.077 -4.564 1.00 0.00 O ATOM 317 OD2 ASP A 21 8.871 0.287 -5.895 1.00 0.00 O ATOM 0 H ASP A 21 7.345 0.009 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 21 8.890 2.009 -2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.995 -0.519 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.557 -0.395 -3.921 1.00 0.00 H new ATOM 322 N CYS A 22 5.759 1.908 -3.528 1.00 0.00 N ATOM 323 CA CYS A 22 4.735 2.626 -4.278 1.00 0.00 C ATOM 324 C CYS A 22 4.702 4.087 -3.859 1.00 0.00 C ATOM 325 O CYS A 22 4.676 4.984 -4.704 1.00 0.00 O ATOM 326 CB CYS A 22 3.360 1.998 -4.041 1.00 0.00 C ATOM 327 SG CYS A 22 2.194 2.647 -5.255 1.00 0.00 S ATOM 0 H CYS A 22 5.404 1.171 -2.918 1.00 0.00 H new ATOM 0 HA CYS A 22 4.980 2.561 -5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.423 0.913 -4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.014 2.221 -3.032 1.00 0.00 H new ATOM 0 HG CYS A 22 1.285 1.752 -5.505 1.00 0.00 H new ATOM 333 N VAL A 23 4.691 4.325 -2.552 1.00 0.00 N ATOM 334 CA VAL A 23 4.648 5.693 -2.051 1.00 0.00 C ATOM 335 C VAL A 23 5.922 6.441 -2.455 1.00 0.00 C ATOM 336 O VAL A 23 5.863 7.551 -2.983 1.00 0.00 O ATOM 337 CB VAL A 23 4.533 5.685 -0.534 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.352 7.129 0.002 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.339 4.829 -0.107 1.00 0.00 C ATOM 0 H VAL A 23 4.711 3.603 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 23 3.781 6.195 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 23 5.449 5.265 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.271 7.106 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.212 7.734 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.446 7.563 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.263 4.828 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.425 5.241 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.478 3.808 -0.462 1.00 0.00 H new ATOM 349 N ALA A 24 7.083 5.829 -2.201 1.00 0.00 N ATOM 350 CA ALA A 24 8.354 6.456 -2.538 1.00 0.00 C ATOM 351 C ALA A 24 8.322 6.970 -3.967 1.00 0.00 C ATOM 352 O ALA A 24 8.620 8.128 -4.217 1.00 0.00 O ATOM 353 CB ALA A 24 9.487 5.440 -2.382 1.00 0.00 C ATOM 0 H ALA A 24 7.164 4.909 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 24 8.524 7.295 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.436 5.912 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.520 5.087 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.313 4.596 -3.049 1.00 0.00 H new ATOM 359 N GLY A 25 7.965 6.098 -4.900 1.00 0.00 N ATOM 360 CA GLY A 25 7.900 6.492 -6.303 1.00 0.00 C ATOM 361 C GLY A 25 6.841 7.567 -6.510 1.00 0.00 C ATOM 362 O GLY A 25 7.058 8.538 -7.237 1.00 0.00 O ATOM 0 H GLY A 25 7.719 5.125 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.872 6.864 -6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.670 5.623 -6.920 1.00 0.00 H new ATOM 366 N HIS A 26 5.685 7.389 -5.877 1.00 0.00 N ATOM 367 CA HIS A 26 4.601 8.351 -6.014 1.00 0.00 C ATOM 368 C HIS A 26 5.070 9.749 -5.634 1.00 0.00 C ATOM 369 O HIS A 26 4.925 10.690 -6.414 1.00 0.00 O ATOM 370 CB HIS A 26 3.439 7.951 -5.101 1.00 0.00 C ATOM 371 CG HIS A 26 2.452 9.081 -4.983 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.063 9.835 -6.074 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.796 9.609 -3.902 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.207 10.772 -5.635 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.009 10.679 -4.315 1.00 0.00 N ATOM 0 H HIS A 26 5.478 6.595 -5.271 1.00 0.00 H new ATOM 0 HA HIS A 26 4.276 8.355 -7.054 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.943 7.066 -5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.818 7.686 -4.114 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.370 9.704 -7.038 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.877 9.250 -2.887 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.737 11.509 -6.269 1.00 0.00 H new ATOM 384 N LEU A 27 5.624 9.887 -4.429 1.00 0.00 N ATOM 385 CA LEU A 27 6.097 11.188 -3.975 1.00 0.00 C ATOM 386 C LEU A 27 7.483 11.484 -4.524 1.00 0.00 C ATOM 387 O LEU A 27 7.811 12.628 -4.815 1.00 0.00 O ATOM 388 CB LEU A 27 6.119 11.200 -2.449 1.00 0.00 C ATOM 389 CG LEU A 27 4.685 11.278 -1.905 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.687 10.980 -0.401 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.098 12.686 -2.143 1.00 0.00 C ATOM 0 H LEU A 27 5.753 9.126 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 27 5.423 11.962 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.610 10.301 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.699 12.051 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 27 4.073 10.542 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.668 11.036 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.085 9.980 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.309 11.712 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.081 12.727 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.713 13.428 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.085 12.899 -3.212 1.00 0.00 H new ATOM 403 N GLY A 28 8.287 10.445 -4.661 1.00 0.00 N ATOM 404 CA GLY A 28 9.650 10.581 -5.177 1.00 0.00 C ATOM 405 C GLY A 28 10.683 10.584 -4.052 1.00 0.00 C ATOM 406 O GLY A 28 11.886 10.590 -4.307 1.00 0.00 O ATOM 0 H GLY A 28 8.023 9.489 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.862 9.762 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.732 11.505 -5.749 1.00 0.00 H new ATOM 410 N LEU A 29 10.210 10.587 -2.809 1.00 0.00 N ATOM 411 CA LEU A 29 11.103 10.590 -1.659 1.00 0.00 C ATOM 412 C LEU A 29 11.796 9.243 -1.525 1.00 0.00 C ATOM 413 O LEU A 29 11.621 8.360 -2.365 1.00 0.00 O ATOM 414 CB LEU A 29 10.317 10.898 -0.381 1.00 0.00 C ATOM 415 CG LEU A 29 9.535 12.199 -0.560 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.713 12.477 0.702 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.507 13.366 -0.810 1.00 0.00 C ATOM 0 H LEU A 29 9.217 10.587 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 29 11.857 11.362 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.633 10.079 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.999 10.985 0.465 1.00 0.00 H new ATOM 0 HG LEU A 29 8.868 12.102 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.155 13.405 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.017 11.655 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.381 12.569 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.942 14.289 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.181 13.467 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.087 13.169 -1.711 1.00 0.00 H new ATOM 429 N ASP A 30 12.587 9.092 -0.470 1.00 0.00 N ATOM 430 CA ASP A 30 13.306 7.841 -0.232 1.00 0.00 C ATOM 431 C ASP A 30 12.420 6.833 0.489 1.00 0.00 C ATOM 432 O ASP A 30 11.805 7.154 1.508 1.00 0.00 O ATOM 433 CB ASP A 30 14.556 8.110 0.599 1.00 0.00 C ATOM 434 CG ASP A 30 15.306 6.808 0.847 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.922 5.806 0.267 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.256 6.832 1.612 1.00 0.00 O ATOM 0 H ASP A 30 12.748 9.814 0.232 1.00 0.00 H new ATOM 0 HA ASP A 30 13.592 7.423 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.202 8.818 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.280 8.567 1.549 1.00 0.00 H new ATOM 441 N ALA A 31 12.362 5.617 -0.040 1.00 0.00 N ATOM 442 CA ALA A 31 11.550 4.566 0.560 1.00 0.00 C ATOM 443 C ALA A 31 11.977 4.287 1.993 1.00 0.00 C ATOM 444 O ALA A 31 11.137 4.025 2.865 1.00 0.00 O ATOM 445 CB ALA A 31 11.668 3.283 -0.255 1.00 0.00 C ATOM 0 H ALA A 31 12.866 5.335 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 31 10.516 4.909 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.057 2.504 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.322 3.465 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.709 2.961 -0.278 1.00 0.00 H new ATOM 451 N ALA A 32 13.278 4.366 2.242 1.00 0.00 N ATOM 452 CA ALA A 32 13.808 4.113 3.573 1.00 0.00 C ATOM 453 C ALA A 32 13.257 5.093 4.590 1.00 0.00 C ATOM 454 O ALA A 32 13.289 4.833 5.793 1.00 0.00 O ATOM 455 CB ALA A 32 15.336 4.207 3.548 1.00 0.00 C ATOM 0 H ALA A 32 13.982 4.602 1.542 1.00 0.00 H new ATOM 0 HA ALA A 32 13.501 3.110 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.729 4.017 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.735 3.467 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.634 5.204 3.225 1.00 0.00 H new ATOM 461 N THR A 33 12.764 6.227 4.108 1.00 0.00 N ATOM 462 CA THR A 33 12.212 7.252 4.991 1.00 0.00 C ATOM 463 C THR A 33 10.865 7.734 4.484 1.00 0.00 C ATOM 464 O THR A 33 10.564 8.929 4.518 1.00 0.00 O ATOM 465 CB THR A 33 13.195 8.425 5.091 1.00 0.00 C ATOM 466 OG1 THR A 33 13.783 8.655 3.822 1.00 0.00 O ATOM 467 CG2 THR A 33 14.294 8.094 6.110 1.00 0.00 C ATOM 0 H THR A 33 12.734 6.462 3.116 1.00 0.00 H new ATOM 0 HA THR A 33 12.063 6.820 5.981 1.00 0.00 H new ATOM 0 HB THR A 33 12.660 9.318 5.415 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.410 9.405 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.990 8.930 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.843 7.917 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.830 7.200 5.790 1.00 0.00 H new ATOM 475 N ILE A 34 10.042 6.801 4.026 1.00 0.00 N ATOM 476 CA ILE A 34 8.726 7.184 3.551 1.00 0.00 C ATOM 477 C ILE A 34 7.784 7.415 4.724 1.00 0.00 C ATOM 478 O ILE A 34 7.433 8.551 5.039 1.00 0.00 O ATOM 479 CB ILE A 34 8.169 6.072 2.615 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.520 6.419 1.162 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.641 5.930 2.734 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.666 7.595 0.657 1.00 0.00 C ATOM 0 H ILE A 34 10.255 5.805 3.974 1.00 0.00 H new ATOM 0 HA ILE A 34 8.804 8.116 2.991 1.00 0.00 H new ATOM 0 HB ILE A 34 8.622 5.127 2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.577 6.675 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.359 5.548 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.295 5.143 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.378 5.674 3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.166 6.873 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.933 7.822 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.611 7.327 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.848 8.471 1.280 1.00 0.00 H new ATOM 494 N ALA A 35 7.344 6.319 5.336 1.00 0.00 N ATOM 495 CA ALA A 35 6.406 6.393 6.434 1.00 0.00 C ATOM 496 C ALA A 35 5.845 5.013 6.747 1.00 0.00 C ATOM 497 O ALA A 35 4.790 4.898 7.364 1.00 0.00 O ATOM 498 CB ALA A 35 5.242 7.350 6.094 1.00 0.00 C ATOM 0 H ALA A 35 7.627 5.372 5.084 1.00 0.00 H new ATOM 0 HA ALA A 35 6.939 6.774 7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.548 7.391 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.636 8.348 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.720 6.987 5.209 1.00 0.00 H new ATOM 504 N THR A 36 6.524 3.958 6.307 1.00 0.00 N ATOM 505 CA THR A 36 6.052 2.598 6.542 1.00 0.00 C ATOM 506 C THR A 36 5.430 2.471 7.919 1.00 0.00 C ATOM 507 O THR A 36 4.440 1.760 8.097 1.00 0.00 O ATOM 508 CB THR A 36 7.239 1.634 6.454 1.00 0.00 C ATOM 509 OG1 THR A 36 8.097 1.840 7.570 1.00 0.00 O ATOM 510 CG2 THR A 36 8.022 1.891 5.165 1.00 0.00 C ATOM 0 H THR A 36 7.400 4.018 5.788 1.00 0.00 H new ATOM 0 HA THR A 36 5.301 2.359 5.789 1.00 0.00 H new ATOM 0 HB THR A 36 6.869 0.609 6.455 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.857 1.223 7.517 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.865 1.202 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.369 1.737 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.391 2.917 5.162 1.00 0.00 H new ATOM 518 N ASP A 37 5.993 3.175 8.905 1.00 0.00 N ATOM 519 CA ASP A 37 5.460 3.138 10.259 1.00 0.00 C ATOM 520 C ASP A 37 4.545 4.329 10.514 1.00 0.00 C ATOM 521 O ASP A 37 3.756 4.324 11.456 1.00 0.00 O ATOM 522 CB ASP A 37 6.620 3.172 11.255 1.00 0.00 C ATOM 523 CG ASP A 37 7.520 4.376 10.984 1.00 0.00 C ATOM 524 OD1 ASP A 37 7.280 5.062 10.001 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.435 4.593 11.757 1.00 0.00 O ATOM 0 H ASP A 37 6.812 3.772 8.787 1.00 0.00 H new ATOM 0 HA ASP A 37 4.882 2.222 10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.232 3.221 12.273 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.200 2.252 11.179 1.00 0.00 H new ATOM 530 N LEU A 38 4.649 5.346 9.667 1.00 0.00 N ATOM 531 CA LEU A 38 3.819 6.540 9.812 1.00 0.00 C ATOM 532 C LEU A 38 2.631 6.494 8.854 1.00 0.00 C ATOM 533 O LEU A 38 2.698 5.873 7.794 1.00 0.00 O ATOM 534 CB LEU A 38 4.662 7.798 9.530 1.00 0.00 C ATOM 535 CG LEU A 38 5.490 8.161 10.777 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.725 8.950 10.353 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.647 9.006 11.735 1.00 0.00 C ATOM 0 H LEU A 38 5.294 5.370 8.877 1.00 0.00 H new ATOM 0 HA LEU A 38 3.440 6.574 10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.323 7.621 8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.012 8.630 9.259 1.00 0.00 H new ATOM 0 HG LEU A 38 5.796 7.246 11.284 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.312 9.208 11.234 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.330 8.344 9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.416 9.863 9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.239 9.259 12.614 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.334 9.921 11.233 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.767 8.440 12.041 1.00 0.00 H new ATOM 549 N PRO A 39 1.556 7.148 9.203 1.00 0.00 N ATOM 550 CA PRO A 39 0.336 7.194 8.353 1.00 0.00 C ATOM 551 C PRO A 39 0.588 7.937 7.037 1.00 0.00 C ATOM 552 O PRO A 39 1.654 8.512 6.828 1.00 0.00 O ATOM 553 CB PRO A 39 -0.695 7.936 9.232 1.00 0.00 C ATOM 554 CG PRO A 39 0.118 8.724 10.206 1.00 0.00 C ATOM 555 CD PRO A 39 1.379 7.910 10.452 1.00 0.00 C ATOM 0 HA PRO A 39 -0.001 6.201 8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.329 8.587 8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.353 7.235 9.745 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.361 9.708 9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.431 8.884 11.134 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.236 8.552 10.654 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.267 7.249 11.311 1.00 0.00 H new ATOM 563 N LEU A 40 -0.411 7.925 6.173 1.00 0.00 N ATOM 564 CA LEU A 40 -0.311 8.610 4.889 1.00 0.00 C ATOM 565 C LEU A 40 -0.378 10.123 5.077 1.00 0.00 C ATOM 566 O LEU A 40 0.103 10.885 4.238 1.00 0.00 O ATOM 567 CB LEU A 40 -1.436 8.144 3.955 1.00 0.00 C ATOM 568 CG LEU A 40 -2.791 8.709 4.422 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.880 8.346 3.411 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.141 8.131 5.798 1.00 0.00 C ATOM 0 H LEU A 40 -1.300 7.451 6.333 1.00 0.00 H new ATOM 0 HA LEU A 40 0.651 8.362 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.230 8.471 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.475 7.055 3.938 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.724 9.794 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.836 8.748 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.629 8.769 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.952 7.262 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.100 8.531 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.205 7.045 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.367 8.405 6.515 1.00 0.00 H new ATOM 582 N THR A 41 -0.996 10.550 6.171 1.00 0.00 N ATOM 583 CA THR A 41 -1.148 11.968 6.447 1.00 0.00 C ATOM 584 C THR A 41 0.196 12.659 6.385 1.00 0.00 C ATOM 585 O THR A 41 0.284 13.813 5.981 1.00 0.00 O ATOM 586 CB THR A 41 -1.763 12.175 7.830 1.00 0.00 C ATOM 587 OG1 THR A 41 -1.031 11.420 8.784 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.222 11.717 7.819 1.00 0.00 C ATOM 0 H THR A 41 -1.398 9.935 6.878 1.00 0.00 H new ATOM 0 HA THR A 41 -1.808 12.397 5.693 1.00 0.00 H new ATOM 0 HB THR A 41 -1.724 13.232 8.093 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.421 11.551 9.674 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.658 11.866 8.807 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.780 12.298 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.270 10.660 7.557 1.00 0.00 H new ATOM 596 N SER A 42 1.251 11.960 6.801 1.00 0.00 N ATOM 597 CA SER A 42 2.587 12.535 6.796 1.00 0.00 C ATOM 598 C SER A 42 2.871 13.238 5.477 1.00 0.00 C ATOM 599 O SER A 42 3.580 14.245 5.442 1.00 0.00 O ATOM 600 CB SER A 42 3.620 11.419 7.002 1.00 0.00 C ATOM 601 OG SER A 42 3.365 10.369 6.079 1.00 0.00 O ATOM 0 H SER A 42 1.203 11.000 7.143 1.00 0.00 H new ATOM 0 HA SER A 42 2.652 13.265 7.602 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.628 11.809 6.858 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.567 11.042 8.023 1.00 0.00 H new ATOM 0 HG SER A 42 2.587 9.853 6.377 1.00 0.00 H new ATOM 607 N TYR A 43 2.320 12.711 4.391 1.00 0.00 N ATOM 608 CA TYR A 43 2.527 13.306 3.075 1.00 0.00 C ATOM 609 C TYR A 43 1.796 14.634 2.955 1.00 0.00 C ATOM 610 O TYR A 43 1.950 15.348 1.968 1.00 0.00 O ATOM 611 CB TYR A 43 2.034 12.336 1.994 1.00 0.00 C ATOM 612 CG TYR A 43 2.535 10.937 2.286 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.868 10.725 2.675 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.666 9.845 2.162 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.319 9.437 2.943 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.130 8.554 2.431 1.00 0.00 C ATOM 617 CZ TYR A 43 3.451 8.351 2.818 1.00 0.00 C ATOM 618 OH TYR A 43 3.890 7.073 3.073 1.00 0.00 O ATOM 0 H TYR A 43 1.730 11.879 4.394 1.00 0.00 H new ATOM 0 HA TYR A 43 3.592 13.494 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.945 12.341 1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.386 12.660 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.543 11.563 2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.641 10.000 1.860 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.342 9.277 3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.461 7.711 2.338 1.00 0.00 H new ATOM 0 HH TYR A 43 3.153 6.441 2.938 1.00 0.00 H new ATOM 628 N GLY A 44 1.022 14.968 3.973 1.00 0.00 N ATOM 629 CA GLY A 44 0.298 16.231 3.980 1.00 0.00 C ATOM 630 C GLY A 44 -0.686 16.292 2.827 1.00 0.00 C ATOM 631 O GLY A 44 -1.043 17.374 2.359 1.00 0.00 O ATOM 0 H GLY A 44 0.878 14.389 4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.234 16.346 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.002 17.060 3.908 1.00 0.00 H new ATOM 635 N LEU A 45 -1.121 15.134 2.360 1.00 0.00 N ATOM 636 CA LEU A 45 -2.066 15.074 1.258 1.00 0.00 C ATOM 637 C LEU A 45 -3.494 15.416 1.710 1.00 0.00 C ATOM 638 O LEU A 45 -3.935 15.028 2.789 1.00 0.00 O ATOM 639 CB LEU A 45 -2.040 13.665 0.639 1.00 0.00 C ATOM 640 CG LEU A 45 -2.814 12.669 1.525 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.762 11.276 0.909 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.176 12.633 2.920 1.00 0.00 C ATOM 0 H LEU A 45 -0.836 14.225 2.725 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.767 15.816 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.480 13.692 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.009 13.332 0.523 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.854 12.987 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.311 10.578 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.213 11.300 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.724 10.953 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.720 11.930 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.136 12.316 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.218 13.627 3.365 1.00 0.00 H new ATOM 654 N ASP A 46 -4.215 16.134 0.878 1.00 0.00 N ATOM 655 CA ASP A 46 -5.585 16.500 1.211 1.00 0.00 C ATOM 656 C ASP A 46 -6.493 15.269 1.162 1.00 0.00 C ATOM 657 O ASP A 46 -6.074 14.192 0.740 1.00 0.00 O ATOM 658 CB ASP A 46 -6.095 17.548 0.229 1.00 0.00 C ATOM 659 CG ASP A 46 -5.352 18.861 0.446 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.727 19.001 1.484 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.412 19.704 -0.433 1.00 0.00 O ATOM 0 H ASP A 46 -3.886 16.476 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.599 16.911 2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.950 17.202 -0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.166 17.698 0.366 1.00 0.00 H new ATOM 666 N SER A 47 -7.739 15.438 1.601 1.00 0.00 N ATOM 667 CA SER A 47 -8.695 14.337 1.602 1.00 0.00 C ATOM 668 C SER A 47 -9.034 13.915 0.176 1.00 0.00 C ATOM 669 O SER A 47 -9.261 12.737 -0.096 1.00 0.00 O ATOM 670 CB SER A 47 -9.970 14.761 2.332 1.00 0.00 C ATOM 671 OG SER A 47 -10.529 15.895 1.684 1.00 0.00 O ATOM 0 H SER A 47 -8.106 16.320 1.958 1.00 0.00 H new ATOM 0 HA SER A 47 -8.245 13.488 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.688 13.941 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.746 14.997 3.372 1.00 0.00 H new ATOM 0 HG SER A 47 -11.347 16.167 2.149 1.00 0.00 H new ATOM 677 N VAL A 48 -9.065 14.887 -0.727 1.00 0.00 N ATOM 678 CA VAL A 48 -9.374 14.610 -2.125 1.00 0.00 C ATOM 679 C VAL A 48 -8.248 13.809 -2.768 1.00 0.00 C ATOM 680 O VAL A 48 -8.451 13.118 -3.760 1.00 0.00 O ATOM 681 CB VAL A 48 -9.579 15.920 -2.889 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.870 15.612 -4.359 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.763 16.678 -2.284 1.00 0.00 C ATOM 0 H VAL A 48 -8.881 15.868 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.293 14.025 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.679 16.530 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.016 16.545 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.030 15.068 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.772 15.004 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.912 17.612 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.663 16.067 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.559 16.895 -1.236 1.00 0.00 H new ATOM 693 N TYR A 49 -7.058 13.921 -2.204 1.00 0.00 N ATOM 694 CA TYR A 49 -5.908 13.206 -2.741 1.00 0.00 C ATOM 695 C TYR A 49 -6.100 11.694 -2.614 1.00 0.00 C ATOM 696 O TYR A 49 -5.896 10.949 -3.573 1.00 0.00 O ATOM 697 CB TYR A 49 -4.630 13.631 -1.987 1.00 0.00 C ATOM 698 CG TYR A 49 -3.506 13.877 -2.970 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.644 14.874 -3.940 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.336 13.113 -2.914 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.616 15.107 -4.857 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.309 13.347 -3.825 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.446 14.345 -4.797 1.00 0.00 C ATOM 704 OH TYR A 49 -0.430 14.571 -5.705 1.00 0.00 O ATOM 0 H TYR A 49 -6.861 14.493 -1.383 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.810 13.456 -3.797 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.823 14.535 -1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.341 12.855 -1.278 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.547 15.465 -3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.229 12.342 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.725 15.874 -5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.405 12.757 -3.781 1.00 0.00 H new ATOM 0 HH TYR A 49 0.313 13.957 -5.525 1.00 0.00 H new ATOM 714 N ALA A 50 -6.480 11.252 -1.421 1.00 0.00 N ATOM 715 CA ALA A 50 -6.674 9.832 -1.171 1.00 0.00 C ATOM 716 C ALA A 50 -7.465 9.198 -2.303 1.00 0.00 C ATOM 717 O ALA A 50 -7.219 8.057 -2.677 1.00 0.00 O ATOM 718 CB ALA A 50 -7.424 9.631 0.146 1.00 0.00 C ATOM 0 H ALA A 50 -6.659 11.854 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.696 9.356 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.565 8.565 0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.847 10.063 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.396 10.121 0.090 1.00 0.00 H new ATOM 724 N LEU A 51 -8.406 9.947 -2.850 1.00 0.00 N ATOM 725 CA LEU A 51 -9.217 9.433 -3.940 1.00 0.00 C ATOM 726 C LEU A 51 -8.356 9.088 -5.152 1.00 0.00 C ATOM 727 O LEU A 51 -8.467 7.996 -5.724 1.00 0.00 O ATOM 728 CB LEU A 51 -10.261 10.480 -4.336 1.00 0.00 C ATOM 729 CG LEU A 51 -11.055 9.997 -5.583 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.539 10.323 -5.411 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.519 10.705 -6.841 1.00 0.00 C ATOM 0 H LEU A 51 -8.626 10.901 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.711 8.522 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.945 10.656 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.771 11.430 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.932 8.919 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.090 9.982 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.922 9.819 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.664 11.400 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.076 10.366 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.638 11.783 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.463 10.468 -6.970 1.00 0.00 H new ATOM 743 N SER A 52 -7.489 10.019 -5.539 1.00 0.00 N ATOM 744 CA SER A 52 -6.618 9.801 -6.684 1.00 0.00 C ATOM 745 C SER A 52 -5.585 8.723 -6.381 1.00 0.00 C ATOM 746 O SER A 52 -5.406 7.781 -7.157 1.00 0.00 O ATOM 747 CB SER A 52 -5.902 11.102 -7.038 1.00 0.00 C ATOM 748 OG SER A 52 -5.166 10.918 -8.244 1.00 0.00 O ATOM 0 H SER A 52 -7.373 10.923 -5.080 1.00 0.00 H new ATOM 0 HA SER A 52 -7.229 9.473 -7.525 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.626 11.908 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.232 11.394 -6.230 1.00 0.00 H new ATOM 0 HG SER A 52 -4.706 11.751 -8.477 1.00 0.00 H new ATOM 754 N ILE A 53 -4.901 8.869 -5.251 1.00 0.00 N ATOM 755 CA ILE A 53 -3.880 7.900 -4.868 1.00 0.00 C ATOM 756 C ILE A 53 -4.494 6.523 -4.663 1.00 0.00 C ATOM 757 O ILE A 53 -4.107 5.564 -5.323 1.00 0.00 O ATOM 758 CB ILE A 53 -3.205 8.354 -3.573 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.771 9.819 -3.712 1.00 0.00 C ATOM 760 CG2 ILE A 53 -1.978 7.482 -3.298 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.885 9.999 -4.946 1.00 0.00 C ATOM 0 H ILE A 53 -5.032 9.637 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.143 7.838 -5.669 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.908 8.258 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.650 10.459 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.229 10.130 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.499 7.808 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.286 6.441 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.273 7.575 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.586 11.044 -5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.997 9.374 -4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.440 9.708 -5.838 1.00 0.00 H new ATOM 773 N ALA A 54 -5.461 6.437 -3.757 1.00 0.00 N ATOM 774 CA ALA A 54 -6.111 5.165 -3.478 1.00 0.00 C ATOM 775 C ALA A 54 -6.527 4.490 -4.776 1.00 0.00 C ATOM 776 O ALA A 54 -6.395 3.269 -4.913 1.00 0.00 O ATOM 777 CB ALA A 54 -7.343 5.388 -2.601 1.00 0.00 C ATOM 0 H ALA A 54 -5.808 7.224 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.405 4.522 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.823 4.431 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.042 5.850 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.044 6.043 -3.118 1.00 0.00 H new ATOM 783 N ALA A 55 -7.009 5.290 -5.729 1.00 0.00 N ATOM 784 CA ALA A 55 -7.422 4.755 -7.020 1.00 0.00 C ATOM 785 C ALA A 55 -6.217 4.232 -7.797 1.00 0.00 C ATOM 786 O ALA A 55 -6.308 3.229 -8.500 1.00 0.00 O ATOM 787 CB ALA A 55 -8.123 5.842 -7.833 1.00 0.00 C ATOM 0 H ALA A 55 -7.121 6.299 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.111 3.929 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.429 5.435 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.002 6.192 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.439 6.676 -7.992 1.00 0.00 H new ATOM 793 N GLU A 56 -5.092 4.925 -7.681 1.00 0.00 N ATOM 794 CA GLU A 56 -3.884 4.517 -8.389 1.00 0.00 C ATOM 795 C GLU A 56 -3.325 3.220 -7.807 1.00 0.00 C ATOM 796 O GLU A 56 -3.006 2.285 -8.542 1.00 0.00 O ATOM 797 CB GLU A 56 -2.826 5.617 -8.286 1.00 0.00 C ATOM 798 CG GLU A 56 -1.681 5.323 -9.257 1.00 0.00 C ATOM 799 CD GLU A 56 -2.154 5.528 -10.692 1.00 0.00 C ATOM 800 OE1 GLU A 56 -3.258 6.017 -10.867 1.00 0.00 O ATOM 801 OE2 GLU A 56 -1.404 5.196 -11.596 1.00 0.00 O ATOM 0 H GLU A 56 -4.990 5.764 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.141 4.349 -9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.271 6.585 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.445 5.675 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.836 5.978 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.332 4.299 -9.122 1.00 0.00 H new ATOM 808 N LEU A 57 -3.202 3.170 -6.486 1.00 0.00 N ATOM 809 CA LEU A 57 -2.666 1.981 -5.821 1.00 0.00 C ATOM 810 C LEU A 57 -3.495 0.752 -6.178 1.00 0.00 C ATOM 811 O LEU A 57 -2.968 -0.230 -6.669 1.00 0.00 O ATOM 812 CB LEU A 57 -2.712 2.192 -4.301 1.00 0.00 C ATOM 813 CG LEU A 57 -1.988 3.488 -3.930 1.00 0.00 C ATOM 814 CD1 LEU A 57 -2.171 3.769 -2.437 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.495 3.370 -4.245 1.00 0.00 C ATOM 0 H LEU A 57 -3.462 3.929 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.639 1.824 -6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.747 2.235 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.246 1.347 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.411 4.306 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.655 4.692 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.233 3.871 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.756 2.944 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.008 4.299 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.067 2.547 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.362 3.180 -5.310 1.00 0.00 H new ATOM 827 N GLU A 58 -4.783 0.826 -5.929 1.00 0.00 N ATOM 828 CA GLU A 58 -5.665 -0.307 -6.237 1.00 0.00 C ATOM 829 C GLU A 58 -5.649 -0.607 -7.734 1.00 0.00 C ATOM 830 O GLU A 58 -5.725 -1.764 -8.143 1.00 0.00 O ATOM 831 CB GLU A 58 -7.077 -0.007 -5.788 1.00 0.00 C ATOM 832 CG GLU A 58 -7.593 1.271 -6.472 1.00 0.00 C ATOM 833 CD GLU A 58 -8.320 0.929 -7.771 1.00 0.00 C ATOM 834 OE1 GLU A 58 -9.388 0.349 -7.688 1.00 0.00 O ATOM 835 OE2 GLU A 58 -7.800 1.255 -8.825 1.00 0.00 O ATOM 0 H GLU A 58 -5.249 1.637 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.299 -1.183 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.729 -0.846 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.104 0.115 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.267 1.802 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.759 1.940 -6.681 1.00 0.00 H new ATOM 842 N ASP A 59 -5.550 0.444 -8.543 1.00 0.00 N ATOM 843 CA ASP A 59 -5.523 0.274 -9.991 1.00 0.00 C ATOM 844 C ASP A 59 -4.318 -0.561 -10.394 1.00 0.00 C ATOM 845 O ASP A 59 -4.393 -1.381 -11.309 1.00 0.00 O ATOM 846 CB ASP A 59 -5.465 1.643 -10.678 1.00 0.00 C ATOM 847 CG ASP A 59 -5.230 1.475 -12.172 1.00 0.00 C ATOM 848 OD1 ASP A 59 -5.365 0.361 -12.649 1.00 0.00 O ATOM 849 OD2 ASP A 59 -4.916 2.462 -12.817 1.00 0.00 O ATOM 0 H ASP A 59 -5.488 1.411 -8.225 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.431 -0.241 -10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.397 2.182 -10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.666 2.242 -10.242 1.00 0.00 H new ATOM 854 N HIS A 60 -3.206 -0.352 -9.709 1.00 0.00 N ATOM 855 CA HIS A 60 -1.993 -1.102 -10.001 1.00 0.00 C ATOM 856 C HIS A 60 -2.193 -2.589 -9.768 1.00 0.00 C ATOM 857 O HIS A 60 -1.777 -3.417 -10.581 1.00 0.00 O ATOM 858 CB HIS A 60 -0.841 -0.618 -9.082 1.00 0.00 C ATOM 859 CG HIS A 60 -0.037 0.450 -9.800 1.00 0.00 C ATOM 860 ND1 HIS A 60 0.626 0.195 -10.999 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.201 1.775 -9.524 1.00 0.00 C ATOM 862 CE1 HIS A 60 1.221 1.338 -11.390 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.995 2.331 -10.528 1.00 0.00 N ATOM 0 H HIS A 60 -3.117 0.326 -8.952 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.747 -0.934 -11.049 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.246 -0.220 -8.152 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.197 -1.456 -8.816 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.171 2.306 -8.660 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.809 1.439 -12.290 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.331 3.292 -10.590 1.00 0.00 H new ATOM 872 N LEU A 61 -2.799 -2.916 -8.635 1.00 0.00 N ATOM 873 CA LEU A 61 -3.021 -4.300 -8.270 1.00 0.00 C ATOM 874 C LEU A 61 -4.189 -4.889 -8.992 1.00 0.00 C ATOM 875 O LEU A 61 -4.112 -6.051 -9.352 1.00 0.00 O ATOM 876 CB LEU A 61 -3.235 -4.435 -6.768 1.00 0.00 C ATOM 877 CG LEU A 61 -2.324 -3.428 -6.072 1.00 0.00 C ATOM 878 CD1 LEU A 61 -2.398 -3.619 -4.588 1.00 0.00 C ATOM 879 CD2 LEU A 61 -0.870 -3.591 -6.531 1.00 0.00 C ATOM 0 H LEU A 61 -3.144 -2.238 -7.955 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.126 -4.850 -8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.278 -4.246 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.005 -5.448 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.662 -2.426 -6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.746 -2.898 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.424 -3.469 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.078 -4.630 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.243 -2.861 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.524 -4.597 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.808 -3.431 -7.607 1.00 0.00 H new ATOM 891 N ASP A 62 -5.272 -4.086 -9.159 1.00 0.00 N ATOM 892 CA ASP A 62 -6.511 -4.538 -9.806 1.00 0.00 C ATOM 893 C ASP A 62 -7.525 -4.951 -8.748 1.00 0.00 C ATOM 894 O ASP A 62 -7.870 -6.126 -8.640 1.00 0.00 O ATOM 895 CB ASP A 62 -6.250 -5.713 -10.736 1.00 0.00 C ATOM 896 CG ASP A 62 -5.115 -5.351 -11.699 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.166 -4.273 -12.268 1.00 0.00 O ATOM 898 OD2 ASP A 62 -4.198 -6.151 -11.844 1.00 0.00 O ATOM 0 H ASP A 62 -5.301 -3.115 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.904 -3.710 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.984 -6.598 -10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.153 -5.957 -11.295 1.00 0.00 H new ATOM 903 N VAL A 63 -8.001 -3.978 -7.971 1.00 0.00 N ATOM 904 CA VAL A 63 -8.972 -4.256 -6.919 1.00 0.00 C ATOM 905 C VAL A 63 -9.739 -2.999 -6.541 1.00 0.00 C ATOM 906 O VAL A 63 -9.392 -1.907 -6.962 1.00 0.00 O ATOM 907 CB VAL A 63 -8.236 -4.790 -5.687 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.727 -6.206 -5.949 1.00 0.00 C ATOM 909 CG2 VAL A 63 -7.040 -3.885 -5.376 1.00 0.00 C ATOM 0 H VAL A 63 -7.731 -2.998 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.683 -4.996 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.927 -4.804 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.206 -6.574 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.570 -6.860 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.042 -6.195 -6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.515 -4.264 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.361 -3.874 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.392 -2.872 -5.179 1.00 0.00 H new ATOM 919 N SER A 64 -10.800 -3.163 -5.751 1.00 0.00 N ATOM 920 CA SER A 64 -11.615 -2.021 -5.320 1.00 0.00 C ATOM 921 C SER A 64 -11.464 -1.819 -3.822 1.00 0.00 C ATOM 922 O SER A 64 -11.513 -2.775 -3.047 1.00 0.00 O ATOM 923 CB SER A 64 -13.085 -2.270 -5.652 1.00 0.00 C ATOM 924 OG SER A 64 -13.688 -2.995 -4.590 1.00 0.00 O ATOM 0 H SER A 64 -11.116 -4.066 -5.398 1.00 0.00 H new ATOM 0 HA SER A 64 -11.275 -1.128 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.602 -1.322 -5.801 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.170 -2.829 -6.584 1.00 0.00 H new ATOM 0 HG SER A 64 -12.990 -3.382 -4.021 1.00 0.00 H new ATOM 930 N LEU A 65 -11.265 -0.572 -3.414 1.00 0.00 N ATOM 931 CA LEU A 65 -11.093 -0.248 -1.997 1.00 0.00 C ATOM 932 C LEU A 65 -12.370 0.349 -1.432 1.00 0.00 C ATOM 933 O LEU A 65 -13.199 0.879 -2.170 1.00 0.00 O ATOM 934 CB LEU A 65 -9.961 0.763 -1.826 1.00 0.00 C ATOM 935 CG LEU A 65 -8.792 0.392 -2.732 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.615 1.371 -2.500 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.346 -1.039 -2.428 1.00 0.00 C ATOM 0 H LEU A 65 -11.218 0.232 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.853 -1.168 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.317 1.764 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.634 0.784 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.107 0.458 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.783 1.100 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.937 2.387 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.295 1.315 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.510 -1.305 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.034 -1.109 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.175 -1.724 -2.606 1.00 0.00 H new ATOM 949 N ASP A 66 -12.526 0.259 -0.113 1.00 0.00 N ATOM 950 CA ASP A 66 -13.714 0.801 0.541 1.00 0.00 C ATOM 951 C ASP A 66 -13.422 2.190 1.095 1.00 0.00 C ATOM 952 O ASP A 66 -12.275 2.543 1.326 1.00 0.00 O ATOM 953 CB ASP A 66 -14.163 -0.145 1.680 1.00 0.00 C ATOM 954 CG ASP A 66 -15.384 -0.954 1.250 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.246 -1.761 0.348 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.440 -0.743 1.824 1.00 0.00 O ATOM 0 H ASP A 66 -11.854 -0.178 0.517 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.517 0.881 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.348 -0.818 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.399 0.436 2.572 1.00 0.00 H new ATOM 961 N PRO A 67 -14.442 2.974 1.307 1.00 0.00 N ATOM 962 CA PRO A 67 -14.294 4.362 1.835 1.00 0.00 C ATOM 963 C PRO A 67 -13.695 4.400 3.241 1.00 0.00 C ATOM 964 O PRO A 67 -12.521 4.728 3.416 1.00 0.00 O ATOM 965 CB PRO A 67 -15.737 4.907 1.834 1.00 0.00 C ATOM 966 CG PRO A 67 -16.615 3.694 1.841 1.00 0.00 C ATOM 967 CD PRO A 67 -15.853 2.624 1.072 1.00 0.00 C ATOM 0 HA PRO A 67 -13.606 4.953 1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.922 5.532 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.924 5.524 0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.824 3.369 2.860 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.575 3.904 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.085 1.624 1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.099 2.640 0.010 1.00 0.00 H new ATOM 975 N THR A 68 -14.513 4.078 4.232 1.00 0.00 N ATOM 976 CA THR A 68 -14.065 4.097 5.617 1.00 0.00 C ATOM 977 C THR A 68 -12.894 3.144 5.815 1.00 0.00 C ATOM 978 O THR A 68 -12.180 3.222 6.815 1.00 0.00 O ATOM 979 CB THR A 68 -15.212 3.691 6.546 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.590 2.350 6.268 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.411 4.615 6.321 1.00 0.00 C ATOM 0 H THR A 68 -15.486 3.801 4.104 1.00 0.00 H new ATOM 0 HA THR A 68 -13.742 5.110 5.857 1.00 0.00 H new ATOM 0 HB THR A 68 -14.884 3.773 7.582 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.323 2.087 6.863 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.225 4.323 6.984 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.122 5.644 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.741 4.537 5.285 1.00 0.00 H new ATOM 989 N LEU A 69 -12.698 2.257 4.854 1.00 0.00 N ATOM 990 CA LEU A 69 -11.603 1.304 4.926 1.00 0.00 C ATOM 991 C LEU A 69 -10.257 1.995 4.706 1.00 0.00 C ATOM 992 O LEU A 69 -9.280 1.708 5.393 1.00 0.00 O ATOM 993 CB LEU A 69 -11.805 0.206 3.881 1.00 0.00 C ATOM 994 CG LEU A 69 -10.709 -0.868 4.035 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.169 -2.161 3.363 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.370 -0.393 3.404 1.00 0.00 C ATOM 0 H LEU A 69 -13.279 2.177 4.019 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.597 0.861 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.790 -0.246 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.770 0.634 2.879 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.540 -1.043 5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.396 -2.922 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.088 -2.509 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.351 -1.976 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.615 -1.169 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.518 -0.195 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.037 0.519 3.900 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.211 2.914 3.749 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.976 3.627 3.451 1.00 0.00 C ATOM 1010 C ILE A 70 -8.464 4.336 4.695 1.00 0.00 C ATOM 1011 O ILE A 70 -7.266 4.322 4.975 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.224 4.636 2.323 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.466 3.886 1.000 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -8.006 5.550 2.172 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -10.194 4.802 0.013 1.00 0.00 C ATOM 0 H ILE A 70 -11.008 3.181 3.171 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.219 2.913 3.128 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.101 5.236 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.516 3.561 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.057 2.989 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.185 6.266 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.836 6.086 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.128 4.950 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.363 4.268 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.152 5.105 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.586 5.686 -0.179 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.374 4.952 5.435 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.993 5.653 6.653 1.00 0.00 C ATOM 1029 C TRP A 71 -8.762 4.654 7.785 1.00 0.00 C ATOM 1030 O TRP A 71 -8.271 5.018 8.852 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.092 6.650 7.049 1.00 0.00 C ATOM 1032 CG TRP A 71 -10.001 7.864 6.186 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.936 8.257 5.291 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.928 8.847 6.116 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.507 9.423 4.681 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.275 9.826 5.155 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.698 8.984 6.789 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.431 10.902 4.871 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.849 10.066 6.505 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.215 11.022 5.549 1.00 0.00 C ATOM 0 H TRP A 71 -10.370 4.981 5.218 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.067 6.198 6.471 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.073 6.187 6.941 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.984 6.928 8.097 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.865 7.745 5.086 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.037 9.924 3.968 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.406 8.252 7.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.716 11.636 4.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.908 10.162 7.027 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.557 11.852 5.336 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.121 3.395 7.538 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.946 2.344 8.539 1.00 0.00 C ATOM 1053 C ASP A 72 -7.513 1.839 8.530 1.00 0.00 C ATOM 1054 O ASP A 72 -6.944 1.539 9.578 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.900 1.186 8.269 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.969 0.283 9.494 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -9.163 0.466 10.392 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.835 -0.577 9.522 1.00 0.00 O ATOM 0 H ASP A 72 -9.532 3.079 6.659 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.169 2.765 9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.893 1.568 8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.561 0.616 7.404 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.929 1.748 7.333 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.542 1.283 7.182 1.00 0.00 C ATOM 1065 C HIS A 73 -4.669 2.382 6.575 1.00 0.00 C ATOM 1066 O HIS A 73 -4.230 2.277 5.429 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.515 0.048 6.288 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.535 -0.940 6.771 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -6.929 -1.014 8.098 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.259 -1.898 6.110 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -7.854 -1.986 8.189 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.092 -2.558 7.007 1.00 0.00 N ATOM 0 H HIS A 73 -7.390 1.988 6.455 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.146 1.032 8.166 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.725 0.328 5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.522 -0.402 6.301 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.581 -0.437 8.864 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.193 -2.108 5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.345 -2.270 9.108 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.415 3.436 7.318 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.585 4.578 6.845 1.00 0.00 C ATOM 1083 C PRO A 74 -2.098 4.253 6.851 1.00 0.00 C ATOM 1084 O PRO A 74 -1.283 5.047 6.391 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.904 5.691 7.851 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.277 4.984 9.115 1.00 0.00 C ATOM 1087 CD PRO A 74 -4.895 3.654 8.697 1.00 0.00 C ATOM 0 HA PRO A 74 -3.808 4.847 5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.043 6.342 8.004 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.720 6.320 7.496 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.401 4.825 9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.984 5.575 9.697 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.581 2.846 9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.984 3.693 8.736 1.00 0.00 H new ATOM 1095 N THR A 75 -1.756 3.085 7.379 1.00 0.00 N ATOM 1096 CA THR A 75 -0.356 2.656 7.449 1.00 0.00 C ATOM 1097 C THR A 75 -0.122 1.440 6.561 1.00 0.00 C ATOM 1098 O THR A 75 -1.058 0.738 6.189 1.00 0.00 O ATOM 1099 CB THR A 75 0.012 2.323 8.898 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.007 1.513 9.467 1.00 0.00 O ATOM 1101 CG2 THR A 75 0.149 3.618 9.703 1.00 0.00 C ATOM 0 H THR A 75 -2.423 2.416 7.765 1.00 0.00 H new ATOM 0 HA THR A 75 0.276 3.470 7.094 1.00 0.00 H new ATOM 0 HB THR A 75 0.960 1.785 8.920 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.774 1.297 10.394 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.411 3.380 10.734 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.931 4.238 9.264 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.797 4.159 9.685 1.00 0.00 H new ATOM 1109 N ILE A 76 1.142 1.197 6.246 1.00 0.00 N ATOM 1110 CA ILE A 76 1.508 0.059 5.418 1.00 0.00 C ATOM 1111 C ILE A 76 1.241 -1.247 6.159 1.00 0.00 C ATOM 1112 O ILE A 76 0.783 -2.219 5.566 1.00 0.00 O ATOM 1113 CB ILE A 76 2.987 0.134 5.019 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.191 1.331 4.075 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.409 -1.162 4.299 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.624 1.327 3.516 1.00 0.00 C ATOM 0 H ILE A 76 1.928 1.771 6.550 1.00 0.00 H new ATOM 0 HA ILE A 76 0.898 0.087 4.515 1.00 0.00 H new ATOM 0 HB ILE A 76 3.596 0.256 5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.473 1.284 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.004 2.262 4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.461 -1.097 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.261 -2.013 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.804 -1.294 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.757 2.179 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.336 1.396 4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.796 0.403 2.964 1.00 0.00 H new ATOM 1128 N ASP A 77 1.563 -1.273 7.443 1.00 0.00 N ATOM 1129 CA ASP A 77 1.383 -2.481 8.236 1.00 0.00 C ATOM 1130 C ASP A 77 -0.024 -3.037 8.057 1.00 0.00 C ATOM 1131 O ASP A 77 -0.199 -4.220 7.752 1.00 0.00 O ATOM 1132 CB ASP A 77 1.617 -2.163 9.715 1.00 0.00 C ATOM 1133 CG ASP A 77 1.380 -3.408 10.562 1.00 0.00 C ATOM 1134 OD1 ASP A 77 2.066 -4.391 10.340 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.515 -3.360 11.422 1.00 0.00 O ATOM 0 H ASP A 77 1.947 -0.479 7.956 1.00 0.00 H new ATOM 0 HA ASP A 77 2.102 -3.228 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.635 -1.803 9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.948 -1.364 10.034 1.00 0.00 H new ATOM 1140 N ALA A 78 -1.023 -2.180 8.232 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.407 -2.604 8.077 1.00 0.00 C ATOM 1142 C ALA A 78 -2.704 -2.924 6.621 1.00 0.00 C ATOM 1143 O ALA A 78 -3.323 -3.942 6.310 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.345 -1.500 8.567 1.00 0.00 C ATOM 0 H ALA A 78 -0.902 -1.198 8.479 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.566 -3.503 8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.379 -1.822 8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.147 -1.295 9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.178 -0.595 7.983 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.272 -2.046 5.730 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.521 -2.252 4.319 1.00 0.00 C ATOM 1152 C LEU A 79 -1.922 -3.573 3.848 1.00 0.00 C ATOM 1153 O LEU A 79 -2.581 -4.357 3.165 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.916 -1.083 3.507 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.873 -0.654 2.382 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.296 -1.881 1.535 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.126 0.025 2.995 1.00 0.00 C ATOM 0 H LEU A 79 -1.755 -1.197 5.957 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.599 -2.288 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.720 -0.238 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.959 -1.385 3.082 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.360 0.055 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.973 -1.561 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.412 -2.340 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.801 -2.607 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.803 0.328 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.635 -0.678 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.822 0.903 3.566 1.00 0.00 H new ATOM 1169 N SER A 80 -0.672 -3.802 4.208 1.00 0.00 N ATOM 1170 CA SER A 80 0.012 -5.023 3.813 1.00 0.00 C ATOM 1171 C SER A 80 -0.731 -6.234 4.358 1.00 0.00 C ATOM 1172 O SER A 80 -0.974 -7.197 3.635 1.00 0.00 O ATOM 1173 CB SER A 80 1.443 -5.011 4.345 1.00 0.00 C ATOM 1174 OG SER A 80 1.979 -6.323 4.269 1.00 0.00 O ATOM 0 H SER A 80 -0.111 -3.163 4.771 1.00 0.00 H new ATOM 0 HA SER A 80 0.036 -5.080 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.054 -4.321 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.458 -4.658 5.376 1.00 0.00 H new ATOM 0 HG SER A 80 2.899 -6.321 4.608 1.00 0.00 H new ATOM 1180 N THR A 81 -1.097 -6.172 5.636 1.00 0.00 N ATOM 1181 CA THR A 81 -1.816 -7.275 6.267 1.00 0.00 C ATOM 1182 C THR A 81 -3.105 -7.570 5.498 1.00 0.00 C ATOM 1183 O THR A 81 -3.457 -8.728 5.252 1.00 0.00 O ATOM 1184 CB THR A 81 -2.152 -6.917 7.714 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.963 -6.540 8.397 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.794 -8.121 8.404 1.00 0.00 C ATOM 0 H THR A 81 -0.910 -5.379 6.249 1.00 0.00 H new ATOM 0 HA THR A 81 -1.182 -8.161 6.254 1.00 0.00 H new ATOM 0 HB THR A 81 -2.853 -6.083 7.731 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.912 -5.563 8.450 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.033 -7.864 9.436 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.708 -8.397 7.878 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.099 -8.961 8.391 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.811 -6.518 5.114 1.00 0.00 N ATOM 1195 CA ALA A 82 -5.046 -6.688 4.372 1.00 0.00 C ATOM 1196 C ALA A 82 -4.759 -7.224 2.975 1.00 0.00 C ATOM 1197 O ALA A 82 -5.504 -8.068 2.447 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.773 -5.345 4.260 1.00 0.00 C ATOM 0 H ALA A 82 -3.553 -5.549 5.302 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.674 -7.402 4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.700 -5.478 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.001 -4.970 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.136 -4.629 3.740 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.686 -6.728 2.350 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.348 -7.158 1.014 1.00 0.00 C ATOM 1206 C LEU A 83 -3.008 -8.648 0.990 1.00 0.00 C ATOM 1207 O LEU A 83 -3.583 -9.412 0.228 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.126 -6.346 0.508 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.179 -6.219 -1.017 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.898 -5.572 -1.521 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.326 -7.602 -1.644 1.00 0.00 C ATOM 0 H LEU A 83 -3.052 -6.038 2.752 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.208 -6.987 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.122 -5.356 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.201 -6.839 0.809 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.033 -5.602 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.938 -5.483 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.793 -4.581 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.044 -6.188 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.363 -7.507 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.474 -8.221 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.246 -8.067 -1.288 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.079 -9.055 1.841 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.683 -10.456 1.890 1.00 0.00 C ATOM 1225 C VAL A 84 -2.892 -11.322 2.219 1.00 0.00 C ATOM 1226 O VAL A 84 -2.983 -12.468 1.779 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.582 -10.653 2.936 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.133 -10.338 4.321 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.077 -12.100 2.894 1.00 0.00 C ATOM 0 H VAL A 84 -1.591 -8.447 2.498 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.293 -10.754 0.917 1.00 0.00 H new ATOM 0 HB VAL A 84 0.248 -9.981 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.349 -10.478 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.479 -9.305 4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.966 -11.005 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.706 -12.234 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.902 -12.780 3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.324 -12.317 1.904 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.815 -10.767 2.998 1.00 0.00 N ATOM 1240 CA ALA A 85 -5.011 -11.507 3.375 1.00 0.00 C ATOM 1241 C ALA A 85 -5.829 -11.845 2.135 1.00 0.00 C ATOM 1242 O ALA A 85 -6.381 -12.940 2.021 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.857 -10.669 4.327 1.00 0.00 C ATOM 0 H ALA A 85 -3.759 -9.821 3.375 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.712 -12.431 3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.751 -11.227 4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.278 -10.439 5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.148 -9.741 3.835 1.00 0.00 H new