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 32:sc= 0.319 USER MOD Single : A 14 SER OG : rot -64:sc= 0.113 USER MOD Single : A 22 CYS SG : rot 110:sc= -4.13! USER MOD Single : A 26 HIS : no HE2:sc= -2.23! C(o=-2.2!,f=-5.7!) USER MOD Single : A 33 THR OG1 : rot -65:sc= -0.535 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 42 SER OG : rot -80:sc= -0.48 USER MOD Single : A 43 TYR OH : rot 180:sc= -1.15 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= -0.256 K(o=-0.26,f=-0.89!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -16:sc= 0.131 USER MOD Single : A 73 HIS : no HE2:sc= -1.9 K(o=-1.9,f=-4.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00339 USER MOD Single : A 80 SER OG : rot -160:sc= 0 USER MOD Single : A 81 THR OG1 : rot 97:sc= 0.994 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.625 -12.739 -1.943 1.00 0.00 N ATOM 137 CA THR A 11 5.037 -12.850 -0.545 1.00 0.00 C ATOM 138 C THR A 11 4.865 -11.507 0.158 1.00 0.00 C ATOM 139 O THR A 11 4.979 -10.449 -0.460 1.00 0.00 O ATOM 140 CB THR A 11 6.500 -13.285 -0.467 1.00 0.00 C ATOM 141 OG1 THR A 11 6.712 -14.390 -1.336 1.00 0.00 O ATOM 142 CG2 THR A 11 6.834 -13.694 0.968 1.00 0.00 C ATOM 0 HA THR A 11 4.413 -13.595 -0.052 1.00 0.00 H new ATOM 0 HB THR A 11 7.142 -12.457 -0.768 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.112 -14.319 -2.108 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.877 -14.004 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.671 -12.847 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.192 -14.522 1.269 1.00 0.00 H new ATOM 150 N LEU A 12 4.572 -11.568 1.450 1.00 0.00 N ATOM 151 CA LEU A 12 4.363 -10.364 2.240 1.00 0.00 C ATOM 152 C LEU A 12 5.464 -9.352 1.963 1.00 0.00 C ATOM 153 O LEU A 12 5.234 -8.141 2.002 1.00 0.00 O ATOM 154 CB LEU A 12 4.353 -10.713 3.734 1.00 0.00 C ATOM 155 CG LEU A 12 3.043 -11.424 4.092 1.00 0.00 C ATOM 156 CD1 LEU A 12 2.974 -12.787 3.385 1.00 0.00 C ATOM 157 CD2 LEU A 12 2.980 -11.631 5.609 1.00 0.00 C ATOM 0 H LEU A 12 4.474 -12.439 1.972 1.00 0.00 H new ATOM 0 HA LEU A 12 3.403 -9.930 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.202 -11.353 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.460 -9.806 4.329 1.00 0.00 H new ATOM 0 HG LEU A 12 2.201 -10.813 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.040 -13.285 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.018 -12.640 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.815 -13.404 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.050 -12.136 5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.826 -12.240 5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.020 -10.664 6.110 1.00 0.00 H new ATOM 169 N ASP A 13 6.663 -9.850 1.693 1.00 0.00 N ATOM 170 CA ASP A 13 7.788 -8.972 1.427 1.00 0.00 C ATOM 171 C ASP A 13 7.641 -8.303 0.068 1.00 0.00 C ATOM 172 O ASP A 13 7.973 -7.137 -0.081 1.00 0.00 O ATOM 173 CB ASP A 13 9.102 -9.751 1.456 1.00 0.00 C ATOM 174 CG ASP A 13 9.076 -10.757 2.600 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.559 -10.414 3.651 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.562 -11.858 2.404 1.00 0.00 O ATOM 0 H ASP A 13 6.878 -10.846 1.653 1.00 0.00 H new ATOM 0 HA ASP A 13 7.801 -8.210 2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.251 -10.267 0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.940 -9.065 1.581 1.00 0.00 H new ATOM 181 N SER A 14 7.139 -9.048 -0.919 1.00 0.00 N ATOM 182 CA SER A 14 6.967 -8.495 -2.254 1.00 0.00 C ATOM 183 C SER A 14 5.912 -7.397 -2.253 1.00 0.00 C ATOM 184 O SER A 14 6.047 -6.379 -2.947 1.00 0.00 O ATOM 185 CB SER A 14 6.587 -9.592 -3.234 1.00 0.00 C ATOM 186 OG SER A 14 5.393 -10.227 -2.792 1.00 0.00 O ATOM 0 H SER A 14 6.850 -10.021 -0.817 1.00 0.00 H new ATOM 0 HA SER A 14 7.915 -8.057 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.442 -9.172 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.393 -10.322 -3.311 1.00 0.00 H new ATOM 0 HG SER A 14 5.559 -10.679 -1.938 1.00 0.00 H new ATOM 192 N LEU A 15 4.852 -7.588 -1.487 1.00 0.00 N ATOM 193 CA LEU A 15 3.816 -6.577 -1.426 1.00 0.00 C ATOM 194 C LEU A 15 4.287 -5.416 -0.556 1.00 0.00 C ATOM 195 O LEU A 15 4.460 -4.297 -1.039 1.00 0.00 O ATOM 196 CB LEU A 15 2.532 -7.194 -0.863 1.00 0.00 C ATOM 197 CG LEU A 15 1.773 -7.939 -1.972 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.723 -8.773 -2.833 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.773 -8.883 -1.322 1.00 0.00 C ATOM 0 H LEU A 15 4.689 -8.414 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 15 3.609 -6.198 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.775 -7.882 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.900 -6.414 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 15 1.278 -7.203 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.155 -9.287 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.461 -8.120 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.231 -9.507 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.225 -9.421 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.303 -9.596 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.074 -8.310 -0.714 1.00 0.00 H new ATOM 211 N ARG A 16 4.491 -5.680 0.725 1.00 0.00 N ATOM 212 CA ARG A 16 4.927 -4.635 1.642 1.00 0.00 C ATOM 213 C ARG A 16 5.907 -3.680 0.954 1.00 0.00 C ATOM 214 O ARG A 16 5.726 -2.456 1.000 1.00 0.00 O ATOM 215 CB ARG A 16 5.607 -5.284 2.850 1.00 0.00 C ATOM 216 CG ARG A 16 6.257 -4.206 3.747 1.00 0.00 C ATOM 217 CD ARG A 16 7.762 -4.104 3.465 1.00 0.00 C ATOM 218 NE ARG A 16 8.382 -3.190 4.412 1.00 0.00 N ATOM 219 CZ ARG A 16 9.623 -2.765 4.233 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.301 -3.167 3.194 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.160 -1.944 5.091 1.00 0.00 N ATOM 0 H ARG A 16 4.364 -6.598 1.151 1.00 0.00 H new ATOM 0 HA ARG A 16 4.057 -4.061 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.876 -5.852 3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.365 -5.991 2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.782 -3.241 3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.094 -4.452 4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.223 -5.089 3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.927 -3.753 2.446 1.00 0.00 H new ATOM 0 HE ARG A 16 7.854 -2.872 5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.875 -3.806 2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.257 -2.842 3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.624 -1.629 5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.116 -1.616 4.954 1.00 0.00 H new ATOM 235 N VAL A 17 6.926 -4.241 0.295 1.00 0.00 N ATOM 236 CA VAL A 17 7.912 -3.427 -0.414 1.00 0.00 C ATOM 237 C VAL A 17 7.225 -2.641 -1.540 1.00 0.00 C ATOM 238 O VAL A 17 7.551 -1.478 -1.783 1.00 0.00 O ATOM 239 CB VAL A 17 9.006 -4.334 -0.994 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.687 -5.136 0.139 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.362 -5.287 -1.986 1.00 0.00 C ATOM 0 H VAL A 17 7.087 -5.247 0.239 1.00 0.00 H new ATOM 0 HA VAL A 17 8.366 -2.721 0.281 1.00 0.00 H new ATOM 0 HB VAL A 17 9.764 -3.730 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.461 -5.776 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.136 -4.446 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.944 -5.752 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.124 -5.941 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.610 -5.889 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.889 -4.716 -2.785 1.00 0.00 H new ATOM 251 N TRP A 18 6.270 -3.279 -2.232 1.00 0.00 N ATOM 252 CA TRP A 18 5.555 -2.597 -3.321 1.00 0.00 C ATOM 253 C TRP A 18 4.876 -1.314 -2.807 1.00 0.00 C ATOM 254 O TRP A 18 5.002 -0.247 -3.409 1.00 0.00 O ATOM 255 CB TRP A 18 4.501 -3.559 -3.947 1.00 0.00 C ATOM 256 CG TRP A 18 3.097 -3.101 -3.634 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.289 -3.597 -2.658 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.327 -2.040 -4.273 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.112 -2.901 -2.652 1.00 0.00 N ATOM 260 CE2 TRP A 18 1.084 -1.941 -3.609 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.572 -1.151 -5.337 1.00 0.00 C ATOM 262 CZ2 TRP A 18 0.133 -1.019 -3.971 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.599 -0.218 -5.709 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.387 -0.154 -5.015 1.00 0.00 C ATOM 0 H TRP A 18 5.980 -4.242 -2.064 1.00 0.00 H new ATOM 0 HA TRP A 18 6.275 -2.314 -4.089 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.640 -3.604 -5.027 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.652 -4.568 -3.564 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.538 -4.411 -1.994 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.346 -3.083 -2.004 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.513 -1.190 -5.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.807 -0.971 -3.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.784 0.454 -6.534 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.355 0.578 -5.298 1.00 0.00 H new ATOM 275 N LEU A 19 4.143 -1.439 -1.701 1.00 0.00 N ATOM 276 CA LEU A 19 3.433 -0.299 -1.122 1.00 0.00 C ATOM 277 C LEU A 19 4.385 0.835 -0.794 1.00 0.00 C ATOM 278 O LEU A 19 4.229 1.955 -1.288 1.00 0.00 O ATOM 279 CB LEU A 19 2.707 -0.758 0.169 1.00 0.00 C ATOM 280 CG LEU A 19 1.207 -1.054 -0.116 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.745 -2.337 0.591 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.356 0.130 0.358 1.00 0.00 C ATOM 0 H LEU A 19 4.026 -2.314 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 19 2.712 0.068 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.190 -1.652 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.791 0.015 0.933 1.00 0.00 H new ATOM 0 HG LEU A 19 1.085 -1.197 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.308 -2.515 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.337 -3.181 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.877 -2.227 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.696 -0.075 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.501 0.277 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.657 1.031 -0.176 1.00 0.00 H new ATOM 294 N VAL A 20 5.373 0.557 0.032 1.00 0.00 N ATOM 295 CA VAL A 20 6.313 1.593 0.401 1.00 0.00 C ATOM 296 C VAL A 20 7.077 2.091 -0.820 1.00 0.00 C ATOM 297 O VAL A 20 7.174 3.296 -1.054 1.00 0.00 O ATOM 298 CB VAL A 20 7.285 1.039 1.439 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.954 -0.225 0.899 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.347 2.092 1.751 1.00 0.00 C ATOM 0 H VAL A 20 5.544 -0.357 0.452 1.00 0.00 H new ATOM 0 HA VAL A 20 5.766 2.436 0.822 1.00 0.00 H new ATOM 0 HB VAL A 20 6.740 0.791 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.647 -0.616 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.193 -0.975 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.500 0.014 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.043 1.699 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.891 2.342 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.867 2.988 2.144 1.00 0.00 H new ATOM 310 N ASP A 21 7.625 1.158 -1.587 1.00 0.00 N ATOM 311 CA ASP A 21 8.392 1.519 -2.771 1.00 0.00 C ATOM 312 C ASP A 21 7.524 2.298 -3.754 1.00 0.00 C ATOM 313 O ASP A 21 8.005 3.196 -4.452 1.00 0.00 O ATOM 314 CB ASP A 21 8.931 0.255 -3.443 1.00 0.00 C ATOM 315 CG ASP A 21 9.798 0.625 -4.643 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.868 1.801 -4.960 1.00 0.00 O ATOM 317 OD2 ASP A 21 10.385 -0.273 -5.222 1.00 0.00 O ATOM 0 H ASP A 21 7.554 0.155 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 21 9.226 2.151 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.515 -0.325 -2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.103 -0.376 -3.764 1.00 0.00 H new ATOM 322 N CYS A 22 6.243 1.956 -3.784 1.00 0.00 N ATOM 323 CA CYS A 22 5.309 2.636 -4.672 1.00 0.00 C ATOM 324 C CYS A 22 5.218 4.110 -4.297 1.00 0.00 C ATOM 325 O CYS A 22 5.293 4.983 -5.162 1.00 0.00 O ATOM 326 CB CYS A 22 3.927 1.985 -4.586 1.00 0.00 C ATOM 327 SG CYS A 22 2.706 3.047 -5.400 1.00 0.00 S ATOM 0 H CYS A 22 5.830 1.220 -3.211 1.00 0.00 H new ATOM 0 HA CYS A 22 5.671 2.551 -5.697 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.945 1.004 -5.061 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.651 1.829 -3.543 1.00 0.00 H new ATOM 0 HG CYS A 22 2.307 2.484 -6.502 1.00 0.00 H new ATOM 333 N VAL A 23 5.055 4.387 -3.007 1.00 0.00 N ATOM 334 CA VAL A 23 4.957 5.769 -2.556 1.00 0.00 C ATOM 335 C VAL A 23 6.252 6.520 -2.874 1.00 0.00 C ATOM 336 O VAL A 23 6.226 7.605 -3.439 1.00 0.00 O ATOM 337 CB VAL A 23 4.711 5.813 -1.042 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.614 7.261 -0.581 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.401 5.112 -0.693 1.00 0.00 C ATOM 0 H VAL A 23 4.989 3.687 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 23 4.124 6.244 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 23 5.541 5.309 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.439 7.289 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.545 7.779 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.788 7.752 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.242 5.153 0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.575 5.611 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.449 4.071 -1.014 1.00 0.00 H new ATOM 349 N ALA A 24 7.389 5.938 -2.511 1.00 0.00 N ATOM 350 CA ALA A 24 8.673 6.584 -2.762 1.00 0.00 C ATOM 351 C ALA A 24 8.778 7.061 -4.202 1.00 0.00 C ATOM 352 O ALA A 24 9.079 8.231 -4.455 1.00 0.00 O ATOM 353 CB ALA A 24 9.807 5.598 -2.464 1.00 0.00 C ATOM 0 H ALA A 24 7.450 5.031 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 24 8.753 7.453 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.767 6.080 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.754 5.288 -1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.708 4.724 -3.108 1.00 0.00 H new ATOM 359 N GLY A 25 8.542 6.160 -5.140 1.00 0.00 N ATOM 360 CA GLY A 25 8.640 6.523 -6.545 1.00 0.00 C ATOM 361 C GLY A 25 7.515 7.464 -6.976 1.00 0.00 C ATOM 362 O GLY A 25 7.763 8.462 -7.655 1.00 0.00 O ATOM 0 H GLY A 25 8.286 5.189 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.602 7.001 -6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.611 5.620 -7.155 1.00 0.00 H new ATOM 366 N HIS A 26 6.275 7.138 -6.609 1.00 0.00 N ATOM 367 CA HIS A 26 5.135 7.946 -6.999 1.00 0.00 C ATOM 368 C HIS A 26 5.167 9.318 -6.345 1.00 0.00 C ATOM 369 O HIS A 26 4.992 10.340 -7.014 1.00 0.00 O ATOM 370 CB HIS A 26 3.849 7.220 -6.588 1.00 0.00 C ATOM 371 CG HIS A 26 2.671 8.139 -6.755 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.291 8.643 -7.988 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.808 8.679 -5.841 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.237 9.454 -7.783 1.00 0.00 C ATOM 375 NE2 HIS A 26 0.903 9.513 -6.490 1.00 0.00 N ATOM 0 H HIS A 26 6.042 6.321 -6.044 1.00 0.00 H new ATOM 0 HA HIS A 26 5.171 8.089 -8.079 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.714 6.326 -7.197 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.921 6.891 -5.551 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.729 8.437 -8.886 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.826 8.487 -4.778 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.724 9.991 -8.567 1.00 0.00 H new ATOM 384 N LEU A 27 5.369 9.334 -5.043 1.00 0.00 N ATOM 385 CA LEU A 27 5.394 10.581 -4.301 1.00 0.00 C ATOM 386 C LEU A 27 6.788 11.217 -4.348 1.00 0.00 C ATOM 387 O LEU A 27 6.915 12.433 -4.176 1.00 0.00 O ATOM 388 CB LEU A 27 4.948 10.326 -2.833 1.00 0.00 C ATOM 389 CG LEU A 27 3.526 10.873 -2.592 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.924 10.271 -1.304 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.580 12.400 -2.457 1.00 0.00 C ATOM 0 H LEU A 27 5.518 8.499 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 27 4.698 11.281 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.973 9.257 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.648 10.803 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 27 2.899 10.595 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.921 10.669 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.874 9.186 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.552 10.532 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.575 12.786 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.219 12.669 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.984 12.832 -3.372 1.00 0.00 H new ATOM 403 N GLY A 28 7.832 10.416 -4.567 1.00 0.00 N ATOM 404 CA GLY A 28 9.178 10.993 -4.597 1.00 0.00 C ATOM 405 C GLY A 28 9.685 11.136 -3.165 1.00 0.00 C ATOM 406 O GLY A 28 9.872 12.247 -2.678 1.00 0.00 O ATOM 0 H GLY A 28 7.780 9.409 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.849 10.355 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.161 11.965 -5.090 1.00 0.00 H new ATOM 410 N LEU A 29 9.915 10.005 -2.499 1.00 0.00 N ATOM 411 CA LEU A 29 10.404 10.004 -1.116 1.00 0.00 C ATOM 412 C LEU A 29 11.301 8.798 -0.843 1.00 0.00 C ATOM 413 O LEU A 29 11.179 7.764 -1.492 1.00 0.00 O ATOM 414 CB LEU A 29 9.219 9.964 -0.163 1.00 0.00 C ATOM 415 CG LEU A 29 8.477 11.298 -0.186 1.00 0.00 C ATOM 416 CD1 LEU A 29 7.192 11.185 0.642 1.00 0.00 C ATOM 417 CD2 LEU A 29 9.376 12.421 0.371 1.00 0.00 C ATOM 0 H LEU A 29 9.771 9.075 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 29 10.988 10.911 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.542 9.158 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.564 9.749 0.848 1.00 0.00 H new ATOM 0 HG LEU A 29 8.218 11.545 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.663 12.138 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.554 10.408 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.444 10.928 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.834 13.366 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.655 12.187 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.275 12.504 -0.240 1.00 0.00 H new ATOM 429 N ASP A 30 12.189 8.937 0.137 1.00 0.00 N ATOM 430 CA ASP A 30 13.092 7.844 0.506 1.00 0.00 C ATOM 431 C ASP A 30 12.310 6.700 1.138 1.00 0.00 C ATOM 432 O ASP A 30 11.662 6.874 2.170 1.00 0.00 O ATOM 433 CB ASP A 30 14.147 8.351 1.502 1.00 0.00 C ATOM 434 CG ASP A 30 14.893 7.185 2.149 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.301 6.526 2.988 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.041 6.971 1.798 1.00 0.00 O ATOM 0 H ASP A 30 12.305 9.787 0.688 1.00 0.00 H new ATOM 0 HA ASP A 30 13.585 7.483 -0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.856 9.000 0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.665 8.952 2.273 1.00 0.00 H new ATOM 441 N ALA A 31 12.376 5.531 0.518 1.00 0.00 N ATOM 442 CA ALA A 31 11.670 4.367 1.029 1.00 0.00 C ATOM 443 C ALA A 31 12.090 4.051 2.458 1.00 0.00 C ATOM 444 O ALA A 31 11.250 3.723 3.304 1.00 0.00 O ATOM 445 CB ALA A 31 11.949 3.159 0.141 1.00 0.00 C ATOM 0 H ALA A 31 12.909 5.364 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 31 10.603 4.592 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.417 2.291 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.610 3.367 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.020 2.954 0.131 1.00 0.00 H new ATOM 451 N ALA A 32 13.385 4.175 2.736 1.00 0.00 N ATOM 452 CA ALA A 32 13.900 3.892 4.070 1.00 0.00 C ATOM 453 C ALA A 32 13.307 4.841 5.098 1.00 0.00 C ATOM 454 O ALA A 32 13.454 4.641 6.303 1.00 0.00 O ATOM 455 CB ALA A 32 15.426 4.012 4.076 1.00 0.00 C ATOM 0 H ALA A 32 14.091 4.467 2.060 1.00 0.00 H new ATOM 0 HA ALA A 32 13.613 2.875 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.804 3.799 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.850 3.299 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.713 5.023 3.788 1.00 0.00 H new ATOM 461 N THR A 33 12.631 5.875 4.620 1.00 0.00 N ATOM 462 CA THR A 33 12.017 6.843 5.518 1.00 0.00 C ATOM 463 C THR A 33 10.688 7.326 4.950 1.00 0.00 C ATOM 464 O THR A 33 10.363 8.512 5.030 1.00 0.00 O ATOM 465 CB THR A 33 12.967 8.033 5.726 1.00 0.00 C ATOM 466 OG1 THR A 33 13.690 8.278 4.528 1.00 0.00 O ATOM 467 CG2 THR A 33 13.954 7.708 6.856 1.00 0.00 C ATOM 0 H THR A 33 12.494 6.065 3.627 1.00 0.00 H new ATOM 0 HA THR A 33 11.828 6.363 6.478 1.00 0.00 H new ATOM 0 HB THR A 33 12.387 8.917 5.990 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.269 7.512 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.628 8.552 7.004 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.403 7.518 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.533 6.823 6.590 1.00 0.00 H new ATOM 475 N ILE A 34 9.913 6.414 4.377 1.00 0.00 N ATOM 476 CA ILE A 34 8.627 6.815 3.817 1.00 0.00 C ATOM 477 C ILE A 34 7.638 7.123 4.922 1.00 0.00 C ATOM 478 O ILE A 34 7.332 8.285 5.187 1.00 0.00 O ATOM 479 CB ILE A 34 8.101 5.690 2.878 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.500 6.018 1.434 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.576 5.490 2.952 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.603 7.120 0.856 1.00 0.00 C ATOM 0 H ILE A 34 10.140 5.424 4.288 1.00 0.00 H new ATOM 0 HA ILE A 34 8.752 7.726 3.232 1.00 0.00 H new ATOM 0 HB ILE A 34 8.555 4.757 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.542 6.338 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.424 5.121 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.280 4.691 2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.293 5.223 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.074 6.414 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.905 7.335 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.565 6.787 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.700 8.022 1.460 1.00 0.00 H new ATOM 494 N ALA A 35 7.127 6.080 5.541 1.00 0.00 N ATOM 495 CA ALA A 35 6.154 6.240 6.589 1.00 0.00 C ATOM 496 C ALA A 35 5.666 4.874 7.059 1.00 0.00 C ATOM 497 O ALA A 35 4.582 4.766 7.625 1.00 0.00 O ATOM 498 CB ALA A 35 4.964 7.054 6.057 1.00 0.00 C ATOM 0 H ALA A 35 7.373 5.112 5.333 1.00 0.00 H new ATOM 0 HA ALA A 35 6.612 6.763 7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.225 7.177 6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.311 8.034 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.511 6.529 5.216 1.00 0.00 H new ATOM 504 N THR A 36 6.428 3.822 6.768 1.00 0.00 N ATOM 505 CA THR A 36 6.019 2.465 7.126 1.00 0.00 C ATOM 506 C THR A 36 5.301 2.448 8.468 1.00 0.00 C ATOM 507 O THR A 36 4.305 1.745 8.642 1.00 0.00 O ATOM 508 CB THR A 36 7.257 1.576 7.224 1.00 0.00 C ATOM 509 OG1 THR A 36 7.870 1.767 8.491 1.00 0.00 O ATOM 510 CG2 THR A 36 8.250 1.954 6.125 1.00 0.00 C ATOM 0 H THR A 36 7.326 3.881 6.288 1.00 0.00 H new ATOM 0 HA THR A 36 5.340 2.097 6.357 1.00 0.00 H new ATOM 0 HB THR A 36 6.964 0.533 7.106 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.664 1.197 8.559 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.132 1.318 6.197 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.783 1.817 5.150 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.544 2.997 6.243 1.00 0.00 H new ATOM 518 N ASP A 37 5.797 3.241 9.413 1.00 0.00 N ATOM 519 CA ASP A 37 5.185 3.316 10.733 1.00 0.00 C ATOM 520 C ASP A 37 4.205 4.486 10.807 1.00 0.00 C ATOM 521 O ASP A 37 3.358 4.538 11.697 1.00 0.00 O ATOM 522 CB ASP A 37 6.275 3.515 11.790 1.00 0.00 C ATOM 523 CG ASP A 37 7.119 4.737 11.446 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.954 5.258 10.355 1.00 0.00 O ATOM 525 OD2 ASP A 37 7.923 5.132 12.275 1.00 0.00 O ATOM 0 H ASP A 37 6.616 3.837 9.290 1.00 0.00 H new ATOM 0 HA ASP A 37 4.645 2.387 10.917 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.821 3.642 12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.908 2.629 11.843 1.00 0.00 H new ATOM 530 N LEU A 38 4.334 5.429 9.875 1.00 0.00 N ATOM 531 CA LEU A 38 3.462 6.603 9.856 1.00 0.00 C ATOM 532 C LEU A 38 2.323 6.427 8.846 1.00 0.00 C ATOM 533 O LEU A 38 2.465 5.723 7.851 1.00 0.00 O ATOM 534 CB LEU A 38 4.277 7.859 9.484 1.00 0.00 C ATOM 535 CG LEU A 38 5.026 8.393 10.717 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.227 9.226 10.261 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.095 9.279 11.551 1.00 0.00 C ATOM 0 H LEU A 38 5.028 5.404 9.128 1.00 0.00 H new ATOM 0 HA LEU A 38 3.034 6.719 10.852 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.988 7.619 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.613 8.629 9.092 1.00 0.00 H new ATOM 0 HG LEU A 38 5.363 7.550 11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.759 9.605 11.133 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.898 8.603 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.880 10.063 9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.633 9.653 12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.754 10.119 10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.235 8.696 11.879 1.00 0.00 H new ATOM 549 N PRO A 39 1.209 7.074 9.075 1.00 0.00 N ATOM 550 CA PRO A 39 0.049 7.007 8.148 1.00 0.00 C ATOM 551 C PRO A 39 0.322 7.755 6.840 1.00 0.00 C ATOM 552 O PRO A 39 1.405 8.306 6.641 1.00 0.00 O ATOM 553 CB PRO A 39 -1.090 7.666 8.941 1.00 0.00 C ATOM 554 CG PRO A 39 -0.411 8.589 9.899 1.00 0.00 C ATOM 555 CD PRO A 39 0.925 7.926 10.244 1.00 0.00 C ATOM 0 HA PRO A 39 -0.182 5.986 7.845 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.767 8.210 8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.687 6.921 9.467 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.256 9.571 9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.016 8.738 10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.710 8.666 10.399 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.855 7.338 11.159 1.00 0.00 H new ATOM 563 N LEU A 40 -0.683 7.784 5.971 1.00 0.00 N ATOM 564 CA LEU A 40 -0.565 8.487 4.695 1.00 0.00 C ATOM 565 C LEU A 40 -0.659 9.992 4.898 1.00 0.00 C ATOM 566 O LEU A 40 -0.130 10.774 4.112 1.00 0.00 O ATOM 567 CB LEU A 40 -1.662 8.020 3.722 1.00 0.00 C ATOM 568 CG LEU A 40 -3.034 8.580 4.130 1.00 0.00 C ATOM 569 CD1 LEU A 40 -4.061 8.233 3.051 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.461 7.972 5.466 1.00 0.00 C ATOM 0 H LEU A 40 -1.584 7.332 6.124 1.00 0.00 H new ATOM 0 HA LEU A 40 0.410 8.254 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.419 8.345 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.700 6.931 3.706 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.970 9.663 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.036 8.628 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.754 8.673 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.125 7.150 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.434 8.371 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.528 6.888 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.726 8.223 6.231 1.00 0.00 H new ATOM 582 N THR A 41 -1.358 10.389 5.953 1.00 0.00 N ATOM 583 CA THR A 41 -1.555 11.801 6.245 1.00 0.00 C ATOM 584 C THR A 41 -0.220 12.519 6.303 1.00 0.00 C ATOM 585 O THR A 41 -0.122 13.685 5.928 1.00 0.00 O ATOM 586 CB THR A 41 -2.300 11.972 7.571 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.368 11.037 7.634 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.866 13.391 7.662 1.00 0.00 C ATOM 0 H THR A 41 -1.797 9.754 6.619 1.00 0.00 H new ATOM 0 HA THR A 41 -2.155 12.238 5.447 1.00 0.00 H new ATOM 0 HB THR A 41 -1.611 11.801 8.398 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.846 11.143 8.483 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.396 13.511 8.607 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.050 14.112 7.609 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.555 13.562 6.835 1.00 0.00 H new ATOM 596 N SER A 42 0.803 11.832 6.796 1.00 0.00 N ATOM 597 CA SER A 42 2.125 12.428 6.909 1.00 0.00 C ATOM 598 C SER A 42 2.515 13.127 5.609 1.00 0.00 C ATOM 599 O SER A 42 3.227 14.132 5.623 1.00 0.00 O ATOM 600 CB SER A 42 3.145 11.329 7.255 1.00 0.00 C ATOM 601 OG SER A 42 2.770 10.721 8.481 1.00 0.00 O ATOM 0 H SER A 42 0.742 10.867 7.122 1.00 0.00 H new ATOM 0 HA SER A 42 2.114 13.177 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.180 10.584 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.145 11.755 7.336 1.00 0.00 H new ATOM 0 HG SER A 42 3.059 11.286 9.228 1.00 0.00 H new ATOM 607 N TYR A 43 2.039 12.598 4.485 1.00 0.00 N ATOM 608 CA TYR A 43 2.345 13.186 3.185 1.00 0.00 C ATOM 609 C TYR A 43 1.654 14.540 3.030 1.00 0.00 C ATOM 610 O TYR A 43 1.900 15.267 2.068 1.00 0.00 O ATOM 611 CB TYR A 43 1.897 12.245 2.061 1.00 0.00 C ATOM 612 CG TYR A 43 2.451 10.852 2.285 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.810 10.663 2.595 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.604 9.741 2.178 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.304 9.370 2.796 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.105 8.455 2.378 1.00 0.00 C ATOM 617 CZ TYR A 43 3.448 8.270 2.686 1.00 0.00 C ATOM 618 OH TYR A 43 3.925 6.999 2.885 1.00 0.00 O ATOM 0 H TYR A 43 1.445 11.770 4.448 1.00 0.00 H new ATOM 0 HA TYR A 43 3.423 13.334 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.808 12.208 2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.238 12.629 1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.470 11.514 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.560 9.881 1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.346 9.221 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.449 7.601 2.293 1.00 0.00 H new ATOM 0 HH TYR A 43 3.196 6.354 2.771 1.00 0.00 H new ATOM 628 N GLY A 44 0.807 14.878 3.989 1.00 0.00 N ATOM 629 CA GLY A 44 0.107 16.152 3.960 1.00 0.00 C ATOM 630 C GLY A 44 -0.818 16.236 2.760 1.00 0.00 C ATOM 631 O GLY A 44 -1.138 17.324 2.285 1.00 0.00 O ATOM 0 H GLY A 44 0.588 14.291 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.469 16.276 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.829 16.967 3.925 1.00 0.00 H new ATOM 635 N LEU A 45 -1.229 15.079 2.263 1.00 0.00 N ATOM 636 CA LEU A 45 -2.098 15.024 1.098 1.00 0.00 C ATOM 637 C LEU A 45 -3.534 15.409 1.440 1.00 0.00 C ATOM 638 O LEU A 45 -4.069 15.007 2.469 1.00 0.00 O ATOM 639 CB LEU A 45 -2.059 13.610 0.501 1.00 0.00 C ATOM 640 CG LEU A 45 -2.933 12.633 1.318 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.886 11.233 0.689 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.402 12.550 2.750 1.00 0.00 C ATOM 0 H LEU A 45 -0.976 14.169 2.647 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.733 15.747 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.409 13.639 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.030 13.250 0.479 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.961 12.996 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.505 10.551 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.262 11.281 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.858 10.872 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.018 11.861 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.373 12.192 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.436 13.538 3.209 1.00 0.00 H new ATOM 654 N ASP A 46 -4.157 16.186 0.568 1.00 0.00 N ATOM 655 CA ASP A 46 -5.534 16.595 0.794 1.00 0.00 C ATOM 656 C ASP A 46 -6.450 15.371 0.826 1.00 0.00 C ATOM 657 O ASP A 46 -6.035 14.266 0.474 1.00 0.00 O ATOM 658 CB ASP A 46 -5.989 17.545 -0.309 1.00 0.00 C ATOM 659 CG ASP A 46 -7.405 18.029 -0.017 1.00 0.00 C ATOM 660 OD1 ASP A 46 -7.631 18.500 1.085 1.00 0.00 O ATOM 661 OD2 ASP A 46 -8.240 17.919 -0.897 1.00 0.00 O ATOM 0 H ASP A 46 -3.738 16.542 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.590 17.108 1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.310 18.395 -0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.959 17.039 -1.274 1.00 0.00 H new ATOM 666 N SER A 47 -7.693 15.576 1.249 1.00 0.00 N ATOM 667 CA SER A 47 -8.665 14.487 1.325 1.00 0.00 C ATOM 668 C SER A 47 -9.005 13.970 -0.070 1.00 0.00 C ATOM 669 O SER A 47 -9.253 12.778 -0.260 1.00 0.00 O ATOM 670 CB SER A 47 -9.941 14.971 2.014 1.00 0.00 C ATOM 671 OG SER A 47 -10.993 14.047 1.761 1.00 0.00 O ATOM 0 H SER A 47 -8.052 16.484 1.544 1.00 0.00 H new ATOM 0 HA SER A 47 -8.224 13.675 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.775 15.065 3.087 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.214 15.960 1.646 1.00 0.00 H new ATOM 0 HG SER A 47 -11.812 14.354 2.203 1.00 0.00 H new ATOM 677 N VAL A 48 -9.014 14.875 -1.041 1.00 0.00 N ATOM 678 CA VAL A 48 -9.323 14.506 -2.418 1.00 0.00 C ATOM 679 C VAL A 48 -8.193 13.683 -3.021 1.00 0.00 C ATOM 680 O VAL A 48 -8.403 12.920 -3.961 1.00 0.00 O ATOM 681 CB VAL A 48 -9.544 15.765 -3.259 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.839 15.366 -4.708 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.727 16.549 -2.693 1.00 0.00 C ATOM 0 H VAL A 48 -8.812 15.865 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.232 13.905 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.649 16.386 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.997 16.263 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.996 14.805 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.735 14.746 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.887 17.447 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.623 15.928 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.516 16.832 -1.662 1.00 0.00 H new ATOM 693 N TYR A 49 -6.990 13.853 -2.488 1.00 0.00 N ATOM 694 CA TYR A 49 -5.839 13.121 -2.998 1.00 0.00 C ATOM 695 C TYR A 49 -5.996 11.620 -2.756 1.00 0.00 C ATOM 696 O TYR A 49 -5.829 10.812 -3.668 1.00 0.00 O ATOM 697 CB TYR A 49 -4.557 13.622 -2.305 1.00 0.00 C ATOM 698 CG TYR A 49 -3.425 13.732 -3.305 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.546 14.604 -4.394 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.264 12.970 -3.144 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.506 14.711 -5.320 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.225 13.077 -4.068 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.343 13.947 -5.159 1.00 0.00 C ATOM 704 OH TYR A 49 -0.319 14.050 -6.078 1.00 0.00 O ATOM 0 H TYR A 49 -6.787 14.483 -1.712 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.770 13.294 -4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.740 14.593 -1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.278 12.938 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.443 15.193 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.172 12.298 -2.304 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.598 15.383 -6.160 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.328 12.488 -3.942 1.00 0.00 H new ATOM 0 HH TYR A 49 0.415 13.454 -5.819 1.00 0.00 H new ATOM 714 N ALA A 50 -6.309 11.261 -1.516 1.00 0.00 N ATOM 715 CA ALA A 50 -6.461 9.859 -1.155 1.00 0.00 C ATOM 716 C ALA A 50 -7.327 9.139 -2.174 1.00 0.00 C ATOM 717 O ALA A 50 -7.091 7.976 -2.489 1.00 0.00 O ATOM 718 CB ALA A 50 -7.106 9.742 0.228 1.00 0.00 C ATOM 0 H ALA A 50 -6.461 11.917 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.473 9.399 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.216 8.690 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.475 10.236 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.087 10.217 0.213 1.00 0.00 H new ATOM 724 N LEU A 51 -8.314 9.840 -2.699 1.00 0.00 N ATOM 725 CA LEU A 51 -9.195 9.248 -3.689 1.00 0.00 C ATOM 726 C LEU A 51 -8.427 8.865 -4.949 1.00 0.00 C ATOM 727 O LEU A 51 -8.544 7.741 -5.446 1.00 0.00 O ATOM 728 CB LEU A 51 -10.311 10.236 -4.049 1.00 0.00 C ATOM 729 CG LEU A 51 -11.177 9.680 -5.206 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.657 9.976 -4.931 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.771 10.347 -6.533 1.00 0.00 C ATOM 0 H LEU A 51 -8.525 10.809 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.627 8.344 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.936 10.421 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.878 11.193 -4.339 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.022 8.603 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.264 9.584 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.955 9.502 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.804 11.053 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.385 9.951 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.920 11.424 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.721 10.139 -6.739 1.00 0.00 H new ATOM 743 N SER A 52 -7.626 9.796 -5.454 1.00 0.00 N ATOM 744 CA SER A 52 -6.846 9.543 -6.656 1.00 0.00 C ATOM 745 C SER A 52 -5.745 8.521 -6.404 1.00 0.00 C ATOM 746 O SER A 52 -5.611 7.547 -7.140 1.00 0.00 O ATOM 747 CB SER A 52 -6.220 10.850 -7.138 1.00 0.00 C ATOM 748 OG SER A 52 -5.855 10.721 -8.508 1.00 0.00 O ATOM 0 H SER A 52 -7.501 10.725 -5.053 1.00 0.00 H new ATOM 0 HA SER A 52 -7.516 9.140 -7.415 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.925 11.672 -7.014 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.343 11.089 -6.537 1.00 0.00 H new ATOM 0 HG SER A 52 -5.455 11.559 -8.820 1.00 0.00 H new ATOM 754 N ILE A 53 -4.948 8.762 -5.372 1.00 0.00 N ATOM 755 CA ILE A 53 -3.850 7.861 -5.060 1.00 0.00 C ATOM 756 C ILE A 53 -4.373 6.472 -4.719 1.00 0.00 C ATOM 757 O ILE A 53 -3.982 5.483 -5.335 1.00 0.00 O ATOM 758 CB ILE A 53 -3.075 8.418 -3.872 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.703 9.881 -4.145 1.00 0.00 C ATOM 760 CG2 ILE A 53 -1.807 7.592 -3.650 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.944 10.010 -5.468 1.00 0.00 C ATOM 0 H ILE A 53 -5.039 9.562 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.199 7.780 -5.931 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.695 8.365 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.606 10.491 -4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.089 10.263 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.256 7.993 -2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.078 6.555 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.182 7.638 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.690 11.056 -5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.030 9.418 -5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.570 9.649 -6.284 1.00 0.00 H new ATOM 773 N ALA A 54 -5.254 6.405 -3.730 1.00 0.00 N ATOM 774 CA ALA A 54 -5.807 5.123 -3.319 1.00 0.00 C ATOM 775 C ALA A 54 -6.367 4.382 -4.526 1.00 0.00 C ATOM 776 O ALA A 54 -6.232 3.162 -4.632 1.00 0.00 O ATOM 777 CB ALA A 54 -6.913 5.321 -2.284 1.00 0.00 C ATOM 0 H ALA A 54 -5.596 7.210 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.006 4.534 -2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.314 4.351 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.506 5.826 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.710 5.927 -2.715 1.00 0.00 H new ATOM 783 N ALA A 55 -6.970 5.136 -5.444 1.00 0.00 N ATOM 784 CA ALA A 55 -7.530 4.545 -6.657 1.00 0.00 C ATOM 785 C ALA A 55 -6.423 4.005 -7.566 1.00 0.00 C ATOM 786 O ALA A 55 -6.553 2.930 -8.142 1.00 0.00 O ATOM 787 CB ALA A 55 -8.355 5.586 -7.414 1.00 0.00 C ATOM 0 H ALA A 55 -7.082 6.147 -5.372 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.172 3.715 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.768 5.136 -8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.168 5.938 -6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.718 6.427 -7.687 1.00 0.00 H new ATOM 793 N GLU A 56 -5.341 4.764 -7.698 1.00 0.00 N ATOM 794 CA GLU A 56 -4.229 4.343 -8.549 1.00 0.00 C ATOM 795 C GLU A 56 -3.557 3.087 -7.996 1.00 0.00 C ATOM 796 O GLU A 56 -3.311 2.118 -8.727 1.00 0.00 O ATOM 797 CB GLU A 56 -3.202 5.474 -8.654 1.00 0.00 C ATOM 798 CG GLU A 56 -3.753 6.592 -9.545 1.00 0.00 C ATOM 799 CD GLU A 56 -2.797 7.780 -9.538 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.808 7.717 -8.826 1.00 0.00 O ATOM 801 OE2 GLU A 56 -3.066 8.736 -10.247 1.00 0.00 O ATOM 0 H GLU A 56 -5.208 5.663 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.624 4.112 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.975 5.865 -7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.268 5.093 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.885 6.226 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.735 6.902 -9.188 1.00 0.00 H new ATOM 808 N LEU A 57 -3.265 3.107 -6.702 1.00 0.00 N ATOM 809 CA LEU A 57 -2.620 1.972 -6.058 1.00 0.00 C ATOM 810 C LEU A 57 -3.460 0.717 -6.235 1.00 0.00 C ATOM 811 O LEU A 57 -3.027 -0.231 -6.867 1.00 0.00 O ATOM 812 CB LEU A 57 -2.458 2.273 -4.560 1.00 0.00 C ATOM 813 CG LEU A 57 -1.619 3.545 -4.355 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.734 3.984 -2.895 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.140 3.287 -4.671 1.00 0.00 C ATOM 0 H LEU A 57 -3.463 3.892 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.644 1.807 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.438 2.399 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.978 1.430 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.993 4.318 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.142 4.886 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.778 4.189 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.364 3.190 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.430 4.203 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.242 2.507 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.040 2.967 -5.708 1.00 0.00 H new ATOM 827 N GLU A 58 -4.659 0.716 -5.686 1.00 0.00 N ATOM 828 CA GLU A 58 -5.518 -0.456 -5.803 1.00 0.00 C ATOM 829 C GLU A 58 -5.740 -0.832 -7.265 1.00 0.00 C ATOM 830 O GLU A 58 -5.829 -2.013 -7.602 1.00 0.00 O ATOM 831 CB GLU A 58 -6.852 -0.177 -5.123 1.00 0.00 C ATOM 832 CG GLU A 58 -7.526 1.061 -5.755 1.00 0.00 C ATOM 833 CD GLU A 58 -8.577 0.656 -6.790 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.207 0.045 -7.779 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.735 0.983 -6.585 1.00 0.00 O ATOM 0 H GLU A 58 -5.059 1.495 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.027 -1.297 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.505 -1.044 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.697 -0.011 -4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.994 1.661 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.770 1.687 -6.228 1.00 0.00 H new ATOM 842 N ASP A 59 -5.826 0.171 -8.130 1.00 0.00 N ATOM 843 CA ASP A 59 -6.037 -0.076 -9.553 1.00 0.00 C ATOM 844 C ASP A 59 -4.895 -0.916 -10.122 1.00 0.00 C ATOM 845 O ASP A 59 -5.095 -1.704 -11.049 1.00 0.00 O ATOM 846 CB ASP A 59 -6.130 1.256 -10.305 1.00 0.00 C ATOM 847 CG ASP A 59 -6.097 1.023 -11.813 1.00 0.00 C ATOM 848 OD1 ASP A 59 -6.455 -0.064 -12.234 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.705 1.935 -12.525 1.00 0.00 O ATOM 0 H ASP A 59 -5.754 1.156 -7.875 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.971 -0.625 -9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.051 1.771 -10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.303 1.903 -10.013 1.00 0.00 H new ATOM 854 N HIS A 60 -3.707 -0.749 -9.557 1.00 0.00 N ATOM 855 CA HIS A 60 -2.548 -1.508 -10.019 1.00 0.00 C ATOM 856 C HIS A 60 -2.674 -2.986 -9.648 1.00 0.00 C ATOM 857 O HIS A 60 -2.245 -3.859 -10.403 1.00 0.00 O ATOM 858 CB HIS A 60 -1.255 -0.926 -9.431 1.00 0.00 C ATOM 859 CG HIS A 60 -0.921 0.356 -10.136 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.439 0.668 -11.382 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.123 1.412 -9.785 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.950 1.868 -11.734 1.00 0.00 C ATOM 863 NE2 HIS A 60 -0.141 2.367 -10.797 1.00 0.00 N ATOM 0 H HIS A 60 -3.519 -0.105 -8.789 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.509 -1.430 -11.106 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.377 -0.746 -8.363 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.438 -1.639 -9.543 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.435 1.492 -8.864 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.183 2.368 -12.662 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.357 3.257 -10.818 1.00 0.00 H new ATOM 872 N LEU A 61 -3.241 -3.261 -8.475 1.00 0.00 N ATOM 873 CA LEU A 61 -3.395 -4.639 -8.007 1.00 0.00 C ATOM 874 C LEU A 61 -4.791 -5.160 -8.329 1.00 0.00 C ATOM 875 O LEU A 61 -5.271 -6.099 -7.697 1.00 0.00 O ATOM 876 CB LEU A 61 -3.147 -4.720 -6.493 1.00 0.00 C ATOM 877 CG LEU A 61 -1.728 -4.237 -6.150 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.684 -5.027 -6.937 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.585 -2.755 -6.487 1.00 0.00 C ATOM 0 H LEU A 61 -3.600 -2.553 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.660 -5.258 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.881 -4.111 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.280 -5.747 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.566 -4.392 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.313 -4.669 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.765 -6.085 -6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.854 -4.891 -8.005 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.577 -2.422 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.767 -2.605 -7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.309 -2.179 -5.910 1.00 0.00 H new ATOM 891 N ASP A 62 -5.440 -4.557 -9.325 1.00 0.00 N ATOM 892 CA ASP A 62 -6.776 -4.994 -9.723 1.00 0.00 C ATOM 893 C ASP A 62 -7.657 -5.239 -8.509 1.00 0.00 C ATOM 894 O ASP A 62 -8.126 -6.354 -8.288 1.00 0.00 O ATOM 895 CB ASP A 62 -6.663 -6.282 -10.519 1.00 0.00 C ATOM 896 CG ASP A 62 -6.074 -5.996 -11.897 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.060 -4.839 -12.288 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.642 -6.936 -12.542 1.00 0.00 O ATOM 0 H ASP A 62 -5.068 -3.775 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.229 -4.208 -10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.033 -6.994 -9.986 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.646 -6.742 -10.623 1.00 0.00 H new ATOM 903 N VAL A 63 -7.876 -4.195 -7.732 1.00 0.00 N ATOM 904 CA VAL A 63 -8.696 -4.298 -6.534 1.00 0.00 C ATOM 905 C VAL A 63 -9.336 -2.954 -6.216 1.00 0.00 C ATOM 906 O VAL A 63 -8.901 -1.925 -6.712 1.00 0.00 O ATOM 907 CB VAL A 63 -7.829 -4.757 -5.343 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.604 -6.265 -5.409 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.459 -4.066 -5.382 1.00 0.00 C ATOM 0 H VAL A 63 -7.498 -3.264 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.483 -5.031 -6.710 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.352 -4.494 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.991 -6.579 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.565 -6.778 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.095 -6.517 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.859 -4.400 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.949 -4.321 -6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.595 -2.986 -5.327 1.00 0.00 H new ATOM 919 N SER A 64 -10.386 -2.978 -5.398 1.00 0.00 N ATOM 920 CA SER A 64 -11.083 -1.752 -5.007 1.00 0.00 C ATOM 921 C SER A 64 -11.038 -1.604 -3.490 1.00 0.00 C ATOM 922 O SER A 64 -11.123 -2.591 -2.758 1.00 0.00 O ATOM 923 CB SER A 64 -12.537 -1.801 -5.478 1.00 0.00 C ATOM 924 OG SER A 64 -13.159 -2.966 -4.953 1.00 0.00 O ATOM 0 H SER A 64 -10.773 -3.830 -4.993 1.00 0.00 H new ATOM 0 HA SER A 64 -10.591 -0.897 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.069 -0.909 -5.147 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.579 -1.811 -6.567 1.00 0.00 H new ATOM 0 HG SER A 64 -14.092 -3.001 -5.251 1.00 0.00 H new ATOM 930 N LEU A 65 -10.891 -0.364 -3.023 1.00 0.00 N ATOM 931 CA LEU A 65 -10.817 -0.084 -1.587 1.00 0.00 C ATOM 932 C LEU A 65 -12.084 0.622 -1.129 1.00 0.00 C ATOM 933 O LEU A 65 -12.800 1.218 -1.934 1.00 0.00 O ATOM 934 CB LEU A 65 -9.611 0.813 -1.286 1.00 0.00 C ATOM 935 CG LEU A 65 -8.414 0.378 -2.126 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.217 1.302 -1.832 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.053 -1.073 -1.798 1.00 0.00 C ATOM 0 H LEU A 65 -10.821 0.462 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.710 -1.029 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.858 1.853 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.362 0.757 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.667 0.448 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.362 0.991 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.481 2.330 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.960 1.239 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.198 -1.380 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.801 -1.155 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.903 -1.718 -2.020 1.00 0.00 H new ATOM 949 N ASP A 66 -12.361 0.552 0.169 1.00 0.00 N ATOM 950 CA ASP A 66 -13.546 1.194 0.726 1.00 0.00 C ATOM 951 C ASP A 66 -13.188 2.569 1.300 1.00 0.00 C ATOM 952 O ASP A 66 -12.034 2.841 1.611 1.00 0.00 O ATOM 953 CB ASP A 66 -14.153 0.288 1.819 1.00 0.00 C ATOM 954 CG ASP A 66 -15.434 -0.389 1.317 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.412 -0.905 0.211 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.413 -0.371 2.042 1.00 0.00 O ATOM 0 H ASP A 66 -11.784 0.060 0.852 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.283 1.340 -0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.427 -0.470 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.374 0.880 2.707 1.00 0.00 H new ATOM 961 N PRO A 67 -14.156 3.432 1.441 1.00 0.00 N ATOM 962 CA PRO A 67 -13.940 4.807 1.982 1.00 0.00 C ATOM 963 C PRO A 67 -13.388 4.793 3.410 1.00 0.00 C ATOM 964 O PRO A 67 -12.200 5.029 3.630 1.00 0.00 O ATOM 965 CB PRO A 67 -15.343 5.444 1.929 1.00 0.00 C ATOM 966 CG PRO A 67 -16.297 4.294 1.863 1.00 0.00 C ATOM 967 CD PRO A 67 -15.566 3.194 1.103 1.00 0.00 C ATOM 0 HA PRO A 67 -13.197 5.360 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.529 6.059 2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.448 6.092 1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.577 3.960 2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.217 4.578 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.893 2.203 1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.740 3.263 0.029 1.00 0.00 H new ATOM 975 N THR A 68 -14.262 4.525 4.373 1.00 0.00 N ATOM 976 CA THR A 68 -13.859 4.498 5.773 1.00 0.00 C ATOM 977 C THR A 68 -12.767 3.461 5.998 1.00 0.00 C ATOM 978 O THR A 68 -12.045 3.510 6.995 1.00 0.00 O ATOM 979 CB THR A 68 -15.066 4.168 6.653 1.00 0.00 C ATOM 980 OG1 THR A 68 -14.646 4.047 8.005 1.00 0.00 O ATOM 981 CG2 THR A 68 -15.693 2.851 6.192 1.00 0.00 C ATOM 0 H THR A 68 -15.249 4.324 4.211 1.00 0.00 H new ATOM 0 HA THR A 68 -13.469 5.481 6.039 1.00 0.00 H new ATOM 0 HB THR A 68 -15.804 4.966 6.571 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.671 3.950 8.037 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.553 2.618 6.820 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.016 2.945 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.958 2.050 6.272 1.00 0.00 H new ATOM 989 N LEU A 69 -12.645 2.533 5.061 1.00 0.00 N ATOM 990 CA LEU A 69 -11.629 1.494 5.162 1.00 0.00 C ATOM 991 C LEU A 69 -10.231 2.077 4.990 1.00 0.00 C ATOM 992 O LEU A 69 -9.307 1.718 5.712 1.00 0.00 O ATOM 993 CB LEU A 69 -11.880 0.412 4.109 1.00 0.00 C ATOM 994 CG LEU A 69 -10.846 -0.721 4.264 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.386 -1.976 3.573 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.477 -0.326 3.652 1.00 0.00 C ATOM 0 H LEU A 69 -13.231 2.477 4.228 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.692 1.050 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.889 0.013 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.814 0.842 3.110 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.688 -0.912 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.664 -2.786 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.328 -2.269 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.550 -1.767 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.771 -1.147 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.601 -0.114 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.095 0.561 4.157 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.080 2.986 4.034 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.778 3.597 3.785 1.00 0.00 C ATOM 1010 C ILE A 70 -8.263 4.272 5.052 1.00 0.00 C ATOM 1011 O ILE A 70 -7.088 4.151 5.393 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.896 4.623 2.647 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.123 3.889 1.314 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.614 5.455 2.559 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.736 4.851 0.289 1.00 0.00 C ATOM 0 H ILE A 70 -10.831 3.313 3.426 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.070 2.821 3.493 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.739 5.284 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.178 3.497 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.784 3.036 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.705 6.180 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.456 5.980 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.767 4.798 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.895 4.326 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.690 5.222 0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.059 5.690 0.127 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.147 4.965 5.749 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.757 5.633 6.979 1.00 0.00 C ATOM 1029 C TRP A 71 -8.508 4.606 8.084 1.00 0.00 C ATOM 1030 O TRP A 71 -7.974 4.938 9.142 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.845 6.613 7.412 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.865 7.778 6.474 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.863 8.061 5.605 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.856 8.813 6.289 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.534 9.207 4.904 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.305 9.708 5.288 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.606 9.064 6.888 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.541 10.810 4.895 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.837 10.170 6.494 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.304 11.041 5.500 1.00 0.00 C ATOM 0 H TRP A 71 -10.127 5.079 5.489 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.835 6.185 6.799 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.816 6.118 7.415 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.658 6.955 8.430 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.768 7.486 5.479 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.127 9.631 4.190 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.237 8.401 7.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.905 11.478 4.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.879 10.351 6.960 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.707 11.890 5.202 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.893 3.354 7.829 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.695 2.281 8.808 1.00 0.00 C ATOM 1053 C ASP A 72 -7.289 1.701 8.693 1.00 0.00 C ATOM 1054 O ASP A 72 -6.666 1.339 9.694 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.727 1.170 8.594 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.761 0.261 9.816 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.790 0.266 10.558 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.753 -0.421 9.998 1.00 0.00 O ATOM 0 H ASP A 72 -9.340 3.059 6.961 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.822 2.703 9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.712 1.603 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.475 0.592 7.705 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.788 1.627 7.456 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.443 1.102 7.195 1.00 0.00 C ATOM 1065 C HIS A 73 -4.560 2.168 6.535 1.00 0.00 C ATOM 1066 O HIS A 73 -4.013 1.953 5.456 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.542 -0.121 6.279 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.631 -1.027 6.775 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -6.978 -1.104 8.115 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.466 -1.896 6.121 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -7.983 -1.991 8.222 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.319 -2.505 7.035 1.00 0.00 N ATOM 0 H HIS A 73 -7.292 1.923 6.620 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.990 0.818 8.145 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.752 0.193 5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.591 -0.653 6.260 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.549 -0.583 8.880 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.462 -2.080 5.057 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.461 -2.256 9.154 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.407 3.305 7.168 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.567 4.427 6.644 1.00 0.00 C ATOM 1083 C PRO A 74 -2.073 4.118 6.732 1.00 0.00 C ATOM 1084 O PRO A 74 -1.243 4.880 6.239 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.937 5.603 7.560 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.360 4.973 8.844 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.027 3.652 8.454 1.00 0.00 C ATOM 0 HA PRO A 74 -3.751 4.623 5.588 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.088 6.270 7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.741 6.201 7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.504 4.802 9.497 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.052 5.616 9.387 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.851 2.880 9.203 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.107 3.763 8.359 1.00 0.00 H new ATOM 1095 N THR A 75 -1.746 2.988 7.355 1.00 0.00 N ATOM 1096 CA THR A 75 -0.347 2.579 7.508 1.00 0.00 C ATOM 1097 C THR A 75 -0.020 1.407 6.589 1.00 0.00 C ATOM 1098 O THR A 75 -0.904 0.652 6.194 1.00 0.00 O ATOM 1099 CB THR A 75 -0.080 2.187 8.963 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.113 1.327 9.418 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.046 3.450 9.829 1.00 0.00 C ATOM 0 H THR A 75 -2.423 2.342 7.760 1.00 0.00 H new ATOM 0 HA THR A 75 0.291 3.419 7.233 1.00 0.00 H new ATOM 0 HB THR A 75 0.877 1.671 9.033 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.942 1.074 10.349 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.144 3.175 10.866 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.747 4.111 9.478 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.004 3.965 9.760 1.00 0.00 H new ATOM 1109 N ILE A 76 1.263 1.272 6.261 1.00 0.00 N ATOM 1110 CA ILE A 76 1.713 0.198 5.381 1.00 0.00 C ATOM 1111 C ILE A 76 1.468 -1.156 6.036 1.00 0.00 C ATOM 1112 O ILE A 76 1.014 -2.096 5.388 1.00 0.00 O ATOM 1113 CB ILE A 76 3.203 0.360 5.067 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.474 1.787 4.563 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.620 -0.656 3.994 1.00 0.00 C ATOM 1116 CD1 ILE A 76 2.545 2.141 3.398 1.00 0.00 C ATOM 0 H ILE A 76 2.005 1.890 6.590 1.00 0.00 H new ATOM 0 HA ILE A 76 1.147 0.251 4.451 1.00 0.00 H new ATOM 0 HB ILE A 76 3.782 0.183 5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.330 2.498 5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.513 1.873 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.681 -0.537 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.436 -1.667 4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.040 -0.486 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.756 3.155 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.709 1.443 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.508 2.077 3.727 1.00 0.00 H new ATOM 1128 N ASP A 77 1.788 -1.257 7.319 1.00 0.00 N ATOM 1129 CA ASP A 77 1.608 -2.512 8.034 1.00 0.00 C ATOM 1130 C ASP A 77 0.186 -3.029 7.850 1.00 0.00 C ATOM 1131 O ASP A 77 -0.022 -4.183 7.473 1.00 0.00 O ATOM 1132 CB ASP A 77 1.879 -2.299 9.523 1.00 0.00 C ATOM 1133 CG ASP A 77 1.599 -3.584 10.296 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.408 -4.606 9.657 1.00 0.00 O ATOM 1135 OD2 ASP A 77 1.580 -3.527 11.513 1.00 0.00 O ATOM 0 H ASP A 77 2.169 -0.495 7.880 1.00 0.00 H new ATOM 0 HA ASP A 77 2.308 -3.245 7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.915 -1.994 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.252 -1.493 9.903 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.790 -2.168 8.109 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.185 -2.558 7.957 1.00 0.00 C ATOM 1142 C ALA A 78 -2.521 -2.783 6.491 1.00 0.00 C ATOM 1143 O ALA A 78 -3.194 -3.752 6.139 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.096 -1.469 8.525 1.00 0.00 C ATOM 0 H ALA A 78 -0.645 -1.208 8.421 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.343 -3.488 8.503 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.138 -1.768 8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.877 -1.326 9.583 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.924 -0.535 7.990 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.080 -1.866 5.641 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.377 -1.970 4.218 1.00 0.00 C ATOM 1152 C LEU A 79 -1.817 -3.274 3.659 1.00 0.00 C ATOM 1153 O LEU A 79 -2.514 -4.006 2.959 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.755 -0.775 3.479 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.568 -0.421 2.218 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -2.754 -1.659 1.330 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -3.950 0.149 2.626 1.00 0.00 C ATOM 0 H LEU A 79 -1.524 -1.053 5.906 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.458 -1.964 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.715 0.088 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.728 -1.010 3.200 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.021 0.332 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.330 -1.389 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.779 -2.039 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.286 -2.430 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.520 0.397 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.494 -0.596 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.810 1.047 3.228 1.00 0.00 H new ATOM 1169 N SER A 80 -0.556 -3.555 3.970 1.00 0.00 N ATOM 1170 CA SER A 80 0.081 -4.771 3.488 1.00 0.00 C ATOM 1171 C SER A 80 -0.662 -5.994 4.006 1.00 0.00 C ATOM 1172 O SER A 80 -0.943 -6.924 3.252 1.00 0.00 O ATOM 1173 CB SER A 80 1.536 -4.814 3.951 1.00 0.00 C ATOM 1174 OG SER A 80 2.044 -6.129 3.781 1.00 0.00 O ATOM 0 H SER A 80 0.039 -2.962 4.549 1.00 0.00 H new ATOM 0 HA SER A 80 0.051 -4.776 2.398 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.133 -4.104 3.378 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.606 -4.517 4.998 1.00 0.00 H new ATOM 0 HG SER A 80 2.834 -6.250 4.348 1.00 0.00 H new ATOM 1180 N THR A 81 -0.978 -5.979 5.296 1.00 0.00 N ATOM 1181 CA THR A 81 -1.690 -7.091 5.910 1.00 0.00 C ATOM 1182 C THR A 81 -2.991 -7.355 5.162 1.00 0.00 C ATOM 1183 O THR A 81 -3.352 -8.502 4.892 1.00 0.00 O ATOM 1184 CB THR A 81 -1.994 -6.775 7.375 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.789 -6.418 8.040 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.617 -8.000 8.043 1.00 0.00 C ATOM 0 H THR A 81 -0.754 -5.214 5.932 1.00 0.00 H new ATOM 0 HA THR A 81 -1.061 -7.980 5.859 1.00 0.00 H new ATOM 0 HB THR A 81 -2.696 -5.943 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.708 -5.442 8.068 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.833 -7.774 9.087 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.542 -8.264 7.529 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.921 -8.837 7.990 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.694 -6.290 4.823 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.944 -6.428 4.100 1.00 0.00 C ATOM 1196 C ALA A 82 -4.694 -6.938 2.684 1.00 0.00 C ATOM 1197 O ALA A 82 -5.454 -7.766 2.157 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.655 -5.077 4.033 1.00 0.00 C ATOM 0 H ALA A 82 -3.424 -5.329 5.034 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.569 -7.148 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.593 -5.186 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.860 -4.723 5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.019 -4.356 3.519 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.628 -6.443 2.049 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.323 -6.853 0.687 1.00 0.00 C ATOM 1206 C LEU A 83 -3.039 -8.349 0.623 1.00 0.00 C ATOM 1207 O LEU A 83 -3.635 -9.060 -0.175 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.095 -6.066 0.174 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.200 -5.850 -1.338 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.912 -5.197 -1.839 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.405 -7.193 -2.036 1.00 0.00 C ATOM 0 H LEU A 83 -2.976 -5.770 2.452 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.186 -6.639 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.032 -5.104 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.181 -6.611 0.408 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.048 -5.202 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.979 -5.040 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.772 -4.238 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.065 -5.847 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.479 -7.036 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.560 -7.847 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.323 -7.656 -1.672 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.133 -8.820 1.471 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.797 -10.235 1.492 1.00 0.00 C ATOM 1225 C VAL A 84 -3.021 -11.056 1.871 1.00 0.00 C ATOM 1226 O VAL A 84 -3.173 -12.197 1.436 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.656 -10.495 2.478 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.108 -10.131 3.888 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.247 -11.974 2.433 1.00 0.00 C ATOM 0 H VAL A 84 -1.624 -8.249 2.146 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.469 -10.533 0.496 1.00 0.00 H new ATOM 0 HB VAL A 84 0.201 -9.882 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.295 -10.316 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.383 -9.077 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.970 -10.739 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.566 -12.148 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.101 -12.596 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.085 -12.229 1.427 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.895 -10.470 2.682 1.00 0.00 N ATOM 1240 CA ALA A 85 -5.104 -11.167 3.103 1.00 0.00 C ATOM 1241 C ALA A 85 -5.957 -11.525 1.895 1.00 0.00 C ATOM 1242 O ALA A 85 -6.560 -12.596 1.844 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.909 -10.279 4.043 1.00 0.00 C ATOM 0 H ALA A 85 -3.791 -9.527 3.057 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.816 -12.083 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.812 -10.804 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.308 -10.038 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.184 -9.359 3.528 1.00 0.00 H new