USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 500 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -2.75! USER MOD Single : A 15 ASN : amide:sc= -0.514 K(o=-0.51,f=-2.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= -0.09 (180deg=-0.151) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -2.11! USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 37 THR OG1 : rot 57:sc= 1.27 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.37 F(o=-4.7!,f=-1.4) USER MOD Single : A 69 GLN : amide:sc= -2.05! C(o=-2.1!,f=-5.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.549 7.749 -4.245 1.00 0.00 N ATOM 132 CA ALA A 10 -5.838 6.865 -3.333 1.00 0.00 C ATOM 133 C ALA A 10 -6.626 6.670 -2.042 1.00 0.00 C ATOM 134 O ALA A 10 -6.669 5.570 -1.486 1.00 0.00 O ATOM 135 CB ALA A 10 -4.454 7.423 -3.031 1.00 0.00 C ATOM 0 HA ALA A 10 -5.728 5.893 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.933 6.753 -2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.887 7.510 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.551 8.406 -2.571 1.00 0.00 H new ATOM 141 N ILE A 11 -7.245 7.751 -1.568 1.00 0.00 N ATOM 142 CA ILE A 11 -8.027 7.703 -0.341 1.00 0.00 C ATOM 143 C ILE A 11 -9.084 6.612 -0.408 1.00 0.00 C ATOM 144 O ILE A 11 -9.269 5.862 0.546 1.00 0.00 O ATOM 145 CB ILE A 11 -8.736 9.037 -0.049 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.735 10.194 -0.015 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.491 8.942 1.266 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.654 10.045 1.036 1.00 0.00 C ATOM 0 H ILE A 11 -7.218 8.667 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.317 7.494 0.459 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.446 9.236 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.265 10.283 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.276 11.123 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.991 9.889 1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.233 8.146 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.791 8.722 2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.986 10.905 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.112 9.988 2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.085 9.134 0.847 1.00 0.00 H new ATOM 160 N SER A 12 -9.780 6.536 -1.537 1.00 0.00 N ATOM 161 CA SER A 12 -10.824 5.539 -1.719 1.00 0.00 C ATOM 162 C SER A 12 -10.264 4.132 -1.555 1.00 0.00 C ATOM 163 O SER A 12 -10.952 3.240 -1.062 1.00 0.00 O ATOM 164 CB SER A 12 -11.485 5.691 -3.090 1.00 0.00 C ATOM 165 OG SER A 12 -10.542 5.532 -4.135 1.00 0.00 O ATOM 0 H SER A 12 -9.639 7.152 -2.337 1.00 0.00 H new ATOM 0 HA SER A 12 -11.580 5.700 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.279 4.952 -3.198 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.952 6.673 -3.164 1.00 0.00 H new ATOM 0 HG SER A 12 -10.992 5.632 -5.000 1.00 0.00 H new ATOM 171 N TYR A 13 -9.010 3.935 -1.960 1.00 0.00 N ATOM 172 CA TYR A 13 -8.376 2.631 -1.831 1.00 0.00 C ATOM 173 C TYR A 13 -8.273 2.258 -0.361 1.00 0.00 C ATOM 174 O TYR A 13 -8.719 1.190 0.057 1.00 0.00 O ATOM 175 CB TYR A 13 -6.981 2.647 -2.458 1.00 0.00 C ATOM 176 CG TYR A 13 -6.291 1.300 -2.427 1.00 0.00 C ATOM 177 CD1 TYR A 13 -6.901 0.173 -2.962 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.034 1.157 -1.855 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.277 -1.059 -2.928 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.402 -0.070 -1.819 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.028 -1.176 -2.356 1.00 0.00 C ATOM 182 OH TYR A 13 -4.404 -2.400 -2.317 1.00 0.00 O ATOM 0 H TYR A 13 -8.421 4.656 -2.376 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.984 1.893 -2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.060 2.983 -3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.363 3.375 -1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.879 0.261 -3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.542 2.020 -1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.765 -1.926 -3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.423 -0.164 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.531 -2.308 -1.882 1.00 0.00 H new ATOM 192 N VAL A 14 -7.688 3.160 0.416 1.00 0.00 N ATOM 193 CA VAL A 14 -7.525 2.954 1.852 1.00 0.00 C ATOM 194 C VAL A 14 -8.880 2.872 2.548 1.00 0.00 C ATOM 195 O VAL A 14 -9.080 2.066 3.457 1.00 0.00 O ATOM 196 CB VAL A 14 -6.708 4.095 2.489 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.468 3.824 3.966 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.392 4.287 1.752 1.00 0.00 C ATOM 0 H VAL A 14 -7.316 4.046 0.075 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.991 2.013 1.982 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.282 5.018 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.890 4.641 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.425 3.746 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.917 2.890 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.830 5.097 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.810 3.367 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.592 4.535 0.710 1.00 0.00 H new ATOM 208 N ASN A 15 -9.800 3.723 2.113 1.00 0.00 N ATOM 209 CA ASN A 15 -11.142 3.778 2.678 1.00 0.00 C ATOM 210 C ASN A 15 -11.880 2.459 2.472 1.00 0.00 C ATOM 211 O ASN A 15 -12.508 1.940 3.394 1.00 0.00 O ATOM 212 CB ASN A 15 -11.922 4.931 2.038 1.00 0.00 C ATOM 213 CG ASN A 15 -13.335 5.051 2.577 1.00 0.00 C ATOM 214 OD1 ASN A 15 -14.151 4.142 2.427 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.630 6.180 3.211 1.00 0.00 N ATOM 0 H ASN A 15 -9.638 4.393 1.361 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.060 3.949 3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.390 5.866 2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.960 4.784 0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.564 6.319 3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.923 6.908 3.313 1.00 0.00 H new ATOM 222 N LYS A 16 -11.797 1.922 1.260 1.00 0.00 N ATOM 223 CA LYS A 16 -12.453 0.661 0.935 1.00 0.00 C ATOM 224 C LYS A 16 -11.834 -0.483 1.727 1.00 0.00 C ATOM 225 O LYS A 16 -12.537 -1.375 2.199 1.00 0.00 O ATOM 226 CB LYS A 16 -12.355 0.377 -0.564 1.00 0.00 C ATOM 227 CG LYS A 16 -13.020 -0.925 -0.982 1.00 0.00 C ATOM 228 CD LYS A 16 -12.872 -1.171 -2.474 1.00 0.00 C ATOM 229 CE LYS A 16 -13.512 -2.486 -2.889 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.342 -2.752 -4.342 1.00 0.00 N ATOM 0 H LYS A 16 -11.282 2.341 0.486 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.505 0.743 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.812 1.201 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.304 0.347 -0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.578 -1.754 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.078 -0.895 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.332 -0.351 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.815 -1.180 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.070 -3.301 -2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.574 -2.465 -2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.792 -3.658 -4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.786 -1.987 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.328 -2.797 -4.570 1.00 0.00 H new ATOM 244 N ILE A 17 -10.516 -0.447 1.874 1.00 0.00 N ATOM 245 CA ILE A 17 -9.800 -1.473 2.619 1.00 0.00 C ATOM 246 C ILE A 17 -10.272 -1.508 4.069 1.00 0.00 C ATOM 247 O ILE A 17 -10.459 -2.577 4.649 1.00 0.00 O ATOM 248 CB ILE A 17 -8.276 -1.233 2.571 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.763 -1.415 1.140 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.550 -2.166 3.530 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.297 -1.086 0.969 1.00 0.00 C ATOM 0 H ILE A 17 -9.920 0.284 1.486 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.014 -2.434 2.151 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.074 -0.209 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.932 -2.447 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.348 -0.783 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.478 -1.978 3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.901 -1.988 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.751 -3.201 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.009 -1.239 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.123 -0.046 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.701 -1.735 1.610 1.00 0.00 H new ATOM 263 N LYS A 18 -10.475 -0.326 4.641 1.00 0.00 N ATOM 264 CA LYS A 18 -10.939 -0.207 6.018 1.00 0.00 C ATOM 265 C LYS A 18 -12.348 -0.763 6.158 1.00 0.00 C ATOM 266 O LYS A 18 -12.606 -1.651 6.972 1.00 0.00 O ATOM 267 CB LYS A 18 -10.930 1.261 6.444 1.00 0.00 C ATOM 268 CG LYS A 18 -11.347 1.482 7.889 1.00 0.00 C ATOM 269 CD LYS A 18 -11.391 2.962 8.243 1.00 0.00 C ATOM 270 CE LYS A 18 -10.022 3.611 8.124 1.00 0.00 C ATOM 271 NZ LYS A 18 -10.066 5.062 8.458 1.00 0.00 N ATOM 0 H LYS A 18 -10.325 0.566 4.170 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.267 -0.779 6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.929 1.666 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.599 1.823 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.329 1.039 8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.649 0.970 8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.094 3.473 7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.763 3.082 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.322 3.106 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.646 3.483 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.148 5.497 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.812 5.524 7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.268 5.179 9.471 1.00 0.00 H new ATOM 285 N THR A 19 -13.252 -0.221 5.357 1.00 0.00 N ATOM 286 CA THR A 19 -14.652 -0.637 5.372 1.00 0.00 C ATOM 287 C THR A 19 -14.798 -2.116 5.036 1.00 0.00 C ATOM 288 O THR A 19 -15.737 -2.775 5.482 1.00 0.00 O ATOM 289 CB THR A 19 -15.500 0.190 4.383 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.891 -0.096 4.572 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.116 -0.114 2.942 1.00 0.00 C ATOM 0 H THR A 19 -13.042 0.514 4.682 1.00 0.00 H new ATOM 0 HA THR A 19 -15.016 -0.463 6.385 1.00 0.00 H new ATOM 0 HB THR A 19 -15.309 1.245 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.422 0.434 3.942 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.730 0.483 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.065 0.129 2.787 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.278 -1.172 2.738 1.00 0.00 H new ATOM 299 N ARG A 20 -13.870 -2.633 4.244 1.00 0.00 N ATOM 300 CA ARG A 20 -13.907 -4.034 3.850 1.00 0.00 C ATOM 301 C ARG A 20 -13.676 -4.944 5.052 1.00 0.00 C ATOM 302 O ARG A 20 -14.483 -5.827 5.341 1.00 0.00 O ATOM 303 CB ARG A 20 -12.853 -4.310 2.774 1.00 0.00 C ATOM 304 CG ARG A 20 -12.766 -5.772 2.367 1.00 0.00 C ATOM 305 CD ARG A 20 -14.127 -6.319 1.982 1.00 0.00 C ATOM 306 NE ARG A 20 -14.063 -7.715 1.557 1.00 0.00 N ATOM 307 CZ ARG A 20 -13.704 -8.716 2.355 1.00 0.00 C ATOM 308 NH1 ARG A 20 -13.394 -8.483 3.624 1.00 0.00 N ATOM 309 NH2 ARG A 20 -13.659 -9.955 1.886 1.00 0.00 N ATOM 0 H ARG A 20 -13.085 -2.106 3.863 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.896 -4.246 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.079 -3.709 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.879 -3.985 3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.079 -5.878 1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.356 -6.357 3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.805 -6.231 2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.544 -5.715 1.176 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.308 -7.935 0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.430 -7.532 3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.119 -9.255 4.232 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.900 -10.141 0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.383 -10.723 2.499 1.00 0.00 H new ATOM 323 N PHE A 21 -12.564 -4.723 5.739 1.00 0.00 N ATOM 324 CA PHE A 21 -12.210 -5.522 6.904 1.00 0.00 C ATOM 325 C PHE A 21 -12.614 -4.838 8.214 1.00 0.00 C ATOM 326 O PHE A 21 -11.828 -4.795 9.160 1.00 0.00 O ATOM 327 CB PHE A 21 -10.707 -5.803 6.920 1.00 0.00 C ATOM 328 CG PHE A 21 -10.208 -6.584 5.736 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.036 -5.977 4.502 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.903 -7.929 5.863 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.565 -6.698 3.420 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.433 -8.655 4.788 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.261 -8.038 3.564 1.00 0.00 C ATOM 0 H PHE A 21 -11.889 -3.994 5.509 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.760 -6.460 6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.173 -4.854 6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.462 -6.350 7.830 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.272 -4.930 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.035 -8.417 6.818 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.435 -6.214 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.200 -9.703 4.903 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.890 -8.602 2.721 1.00 0.00 H new ATOM 343 N LEU A 22 -13.836 -4.311 8.273 1.00 0.00 N ATOM 344 CA LEU A 22 -14.318 -3.646 9.483 1.00 0.00 C ATOM 345 C LEU A 22 -14.141 -4.544 10.707 1.00 0.00 C ATOM 346 O LEU A 22 -13.709 -4.090 11.766 1.00 0.00 O ATOM 347 CB LEU A 22 -15.791 -3.256 9.336 1.00 0.00 C ATOM 348 CG LEU A 22 -16.068 -2.111 8.360 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.566 -1.895 8.204 1.00 0.00 C ATOM 350 CD2 LEU A 22 -15.393 -0.833 8.832 1.00 0.00 C ATOM 0 H LEU A 22 -14.506 -4.331 7.504 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.725 -2.742 9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.352 -4.133 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -16.176 -2.977 10.317 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.655 -2.380 7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.745 -1.077 7.506 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -18.027 -2.806 7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -18.001 -1.648 9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.601 -0.029 8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.777 -0.560 9.815 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.316 -0.992 8.894 1.00 0.00 H new ATOM 362 N ASP A 23 -14.474 -5.823 10.549 1.00 0.00 N ATOM 363 CA ASP A 23 -14.348 -6.789 11.632 1.00 0.00 C ATOM 364 C ASP A 23 -12.901 -7.240 11.783 1.00 0.00 C ATOM 365 O ASP A 23 -12.498 -7.731 12.838 1.00 0.00 O ATOM 366 CB ASP A 23 -15.251 -7.995 11.376 1.00 0.00 C ATOM 367 CG ASP A 23 -15.153 -9.036 12.475 1.00 0.00 C ATOM 368 OD1 ASP A 23 -15.458 -8.702 13.639 1.00 0.00 O ATOM 369 OD2 ASP A 23 -14.773 -10.186 12.170 1.00 0.00 O ATOM 0 H ASP A 23 -14.834 -6.213 9.678 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.659 -6.307 12.559 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.284 -7.659 11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.982 -8.451 10.423 1.00 0.00 H new ATOM 374 N HIS A 24 -12.131 -7.083 10.709 1.00 0.00 N ATOM 375 CA HIS A 24 -10.730 -7.479 10.694 1.00 0.00 C ATOM 376 C HIS A 24 -9.802 -6.259 10.663 1.00 0.00 C ATOM 377 O HIS A 24 -9.180 -5.975 9.641 1.00 0.00 O ATOM 378 CB HIS A 24 -10.463 -8.366 9.479 1.00 0.00 C ATOM 379 CG HIS A 24 -11.294 -9.602 9.441 1.00 0.00 C ATOM 380 ND1 HIS A 24 -11.502 -10.349 8.299 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.950 -10.234 10.427 1.00 0.00 C ATOM 382 CE1 HIS A 24 -12.260 -11.391 8.593 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.545 -11.344 9.881 1.00 0.00 N ATOM 0 H HIS A 24 -12.460 -6.680 9.832 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.523 -8.033 11.610 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.646 -7.789 8.573 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.410 -8.647 9.471 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.000 -9.926 11.461 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.589 -12.150 7.899 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.114 -12.022 10.388 1.00 0.00 H new ATOM 392 N PRO A 25 -9.690 -5.518 11.781 1.00 0.00 N ATOM 393 CA PRO A 25 -8.826 -4.334 11.859 1.00 0.00 C ATOM 394 C PRO A 25 -7.345 -4.686 11.738 1.00 0.00 C ATOM 395 O PRO A 25 -6.561 -3.924 11.172 1.00 0.00 O ATOM 396 CB PRO A 25 -9.125 -3.758 13.241 1.00 0.00 C ATOM 397 CG PRO A 25 -9.626 -4.916 14.031 1.00 0.00 C ATOM 398 CD PRO A 25 -10.382 -5.772 13.057 1.00 0.00 C ATOM 0 HA PRO A 25 -9.022 -3.638 11.044 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.231 -3.327 13.693 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.869 -2.964 13.187 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.802 -5.469 14.482 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.271 -4.585 14.845 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.345 -6.826 13.333 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.434 -5.493 13.007 1.00 0.00 H new ATOM 406 N GLU A 26 -6.971 -5.842 12.281 1.00 0.00 N ATOM 407 CA GLU A 26 -5.584 -6.302 12.246 1.00 0.00 C ATOM 408 C GLU A 26 -5.025 -6.280 10.825 1.00 0.00 C ATOM 409 O GLU A 26 -3.841 -6.010 10.621 1.00 0.00 O ATOM 410 CB GLU A 26 -5.479 -7.714 12.828 1.00 0.00 C ATOM 411 CG GLU A 26 -6.327 -8.740 12.096 1.00 0.00 C ATOM 412 CD GLU A 26 -6.217 -10.126 12.700 1.00 0.00 C ATOM 413 OE1 GLU A 26 -5.092 -10.666 12.745 1.00 0.00 O ATOM 414 OE2 GLU A 26 -7.256 -10.671 13.130 1.00 0.00 O ATOM 0 H GLU A 26 -7.612 -6.480 12.753 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.991 -5.618 12.853 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.437 -8.032 12.802 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.778 -7.689 13.876 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.370 -8.422 12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.022 -8.778 11.050 1.00 0.00 H new ATOM 421 N ILE A 27 -5.879 -6.567 9.848 1.00 0.00 N ATOM 422 CA ILE A 27 -5.463 -6.581 8.448 1.00 0.00 C ATOM 423 C ILE A 27 -5.037 -5.184 8.005 1.00 0.00 C ATOM 424 O ILE A 27 -4.015 -5.011 7.342 1.00 0.00 O ATOM 425 CB ILE A 27 -6.604 -7.039 7.519 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.552 -7.997 8.247 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.040 -7.685 6.261 1.00 0.00 C ATOM 428 CD1 ILE A 27 -7.043 -9.411 8.414 1.00 0.00 C ATOM 0 H ILE A 27 -6.862 -6.793 9.998 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.631 -7.281 8.375 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.178 -6.161 7.225 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.768 -7.588 9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.496 -8.031 7.703 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.860 -8.003 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.418 -6.965 5.729 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.438 -8.551 6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.789 -10.006 8.941 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.856 -9.849 7.433 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.117 -9.399 8.988 1.00 0.00 H new ATOM 440 N TYR A 28 -5.849 -4.197 8.375 1.00 0.00 N ATOM 441 CA TYR A 28 -5.599 -2.802 8.026 1.00 0.00 C ATOM 442 C TYR A 28 -4.198 -2.367 8.447 1.00 0.00 C ATOM 443 O TYR A 28 -3.454 -1.783 7.659 1.00 0.00 O ATOM 444 CB TYR A 28 -6.643 -1.916 8.700 1.00 0.00 C ATOM 445 CG TYR A 28 -6.563 -0.456 8.322 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.860 -0.038 7.033 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.190 0.502 9.256 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.787 1.296 6.683 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.116 1.839 8.914 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.416 2.231 7.627 1.00 0.00 C ATOM 451 OH TYR A 28 -6.343 3.561 7.283 1.00 0.00 O ATOM 0 H TYR A 28 -6.697 -4.341 8.924 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.670 -2.700 6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.635 -2.290 8.448 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.534 -2.005 9.781 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.153 -0.767 6.292 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.954 0.197 10.265 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.019 1.606 5.675 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.825 2.573 9.651 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.068 4.086 8.063 1.00 0.00 H new ATOM 461 N ARG A 29 -3.851 -2.651 9.697 1.00 0.00 N ATOM 462 CA ARG A 29 -2.548 -2.289 10.236 1.00 0.00 C ATOM 463 C ARG A 29 -1.412 -2.940 9.454 1.00 0.00 C ATOM 464 O ARG A 29 -0.499 -2.259 8.985 1.00 0.00 O ATOM 465 CB ARG A 29 -2.470 -2.708 11.699 1.00 0.00 C ATOM 466 CG ARG A 29 -3.420 -1.940 12.601 1.00 0.00 C ATOM 467 CD ARG A 29 -3.068 -0.460 12.656 1.00 0.00 C ATOM 468 NE ARG A 29 -1.711 -0.232 13.148 1.00 0.00 N ATOM 469 CZ ARG A 29 -1.307 -0.541 14.378 1.00 0.00 C ATOM 470 NH1 ARG A 29 -2.157 -1.074 15.247 1.00 0.00 N ATOM 471 NH2 ARG A 29 -0.053 -0.310 14.742 1.00 0.00 N ATOM 0 H ARG A 29 -4.459 -3.134 10.359 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.435 -1.208 10.148 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.690 -3.773 11.776 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.450 -2.567 12.055 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.441 -2.058 12.239 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.387 -2.360 13.606 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.169 -0.027 11.661 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.778 0.057 13.302 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.034 0.189 12.512 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.124 -1.248 14.973 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.843 -1.309 16.189 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.602 0.105 14.079 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.256 -0.547 15.685 1.00 0.00 H new ATOM 485 N SER A 30 -1.468 -4.261 9.331 1.00 0.00 N ATOM 486 CA SER A 30 -0.438 -5.016 8.621 1.00 0.00 C ATOM 487 C SER A 30 -0.187 -4.436 7.229 1.00 0.00 C ATOM 488 O SER A 30 0.958 -4.181 6.854 1.00 0.00 O ATOM 489 CB SER A 30 -0.840 -6.488 8.514 1.00 0.00 C ATOM 490 OG SER A 30 0.172 -7.248 7.878 1.00 0.00 O ATOM 0 H SER A 30 -2.219 -4.835 9.715 1.00 0.00 H new ATOM 0 HA SER A 30 0.488 -4.940 9.191 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.029 -6.890 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.771 -6.574 7.953 1.00 0.00 H new ATOM 0 HG SER A 30 -0.109 -8.185 7.823 1.00 0.00 H new ATOM 496 N PHE A 31 -1.261 -4.222 6.471 1.00 0.00 N ATOM 497 CA PHE A 31 -1.157 -3.662 5.126 1.00 0.00 C ATOM 498 C PHE A 31 -0.371 -2.355 5.139 1.00 0.00 C ATOM 499 O PHE A 31 0.563 -2.170 4.356 1.00 0.00 O ATOM 500 CB PHE A 31 -2.554 -3.419 4.549 1.00 0.00 C ATOM 501 CG PHE A 31 -2.553 -2.601 3.289 1.00 0.00 C ATOM 502 CD1 PHE A 31 -1.938 -3.070 2.139 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.169 -1.361 3.257 1.00 0.00 C ATOM 504 CE1 PHE A 31 -1.937 -2.316 0.981 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.172 -0.602 2.103 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.555 -1.081 0.963 1.00 0.00 C ATOM 0 H PHE A 31 -2.215 -4.429 6.767 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.626 -4.379 4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.026 -4.380 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.164 -2.915 5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.454 -4.036 2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.653 -0.983 4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.454 -2.692 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.655 0.364 2.092 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.556 -0.490 0.059 1.00 0.00 H new ATOM 516 N LEU A 32 -0.758 -1.454 6.035 1.00 0.00 N ATOM 517 CA LEU A 32 -0.092 -0.165 6.155 1.00 0.00 C ATOM 518 C LEU A 32 1.384 -0.352 6.474 1.00 0.00 C ATOM 519 O LEU A 32 2.232 0.385 5.976 1.00 0.00 O ATOM 520 CB LEU A 32 -0.769 0.688 7.229 1.00 0.00 C ATOM 521 CG LEU A 32 -2.228 1.044 6.942 1.00 0.00 C ATOM 522 CD1 LEU A 32 -2.812 1.859 8.083 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.338 1.803 5.631 1.00 0.00 C ATOM 0 H LEU A 32 -1.529 -1.593 6.688 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.173 0.354 5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.720 0.156 8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.202 1.611 7.350 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.800 0.120 6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.851 2.103 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.764 1.280 9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.240 2.779 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.382 2.050 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.754 2.721 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.957 1.184 4.819 1.00 0.00 H new ATOM 535 N GLU A 33 1.687 -1.354 7.296 1.00 0.00 N ATOM 536 CA GLU A 33 3.066 -1.651 7.663 1.00 0.00 C ATOM 537 C GLU A 33 3.861 -2.039 6.424 1.00 0.00 C ATOM 538 O GLU A 33 5.037 -1.703 6.301 1.00 0.00 O ATOM 539 CB GLU A 33 3.114 -2.780 8.697 1.00 0.00 C ATOM 540 CG GLU A 33 4.525 -3.179 9.105 1.00 0.00 C ATOM 541 CD GLU A 33 5.280 -2.064 9.806 1.00 0.00 C ATOM 542 OE1 GLU A 33 4.685 -0.988 10.028 1.00 0.00 O ATOM 543 OE2 GLU A 33 6.466 -2.271 10.138 1.00 0.00 O ATOM 0 H GLU A 33 0.995 -1.973 7.719 1.00 0.00 H new ATOM 0 HA GLU A 33 3.510 -0.759 8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.563 -2.471 9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.602 -3.653 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.475 -4.046 9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.081 -3.484 8.218 1.00 0.00 H new ATOM 550 N ILE A 34 3.204 -2.741 5.504 1.00 0.00 N ATOM 551 CA ILE A 34 3.844 -3.163 4.265 1.00 0.00 C ATOM 552 C ILE A 34 4.283 -1.948 3.462 1.00 0.00 C ATOM 553 O ILE A 34 5.464 -1.784 3.147 1.00 0.00 O ATOM 554 CB ILE A 34 2.894 -4.008 3.414 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.383 -5.185 4.239 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.601 -4.489 2.154 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.403 -6.051 3.495 1.00 0.00 C ATOM 0 H ILE A 34 2.230 -3.028 5.595 1.00 0.00 H new ATOM 0 HA ILE A 34 4.713 -3.767 4.528 1.00 0.00 H new ATOM 0 HB ILE A 34 2.042 -3.401 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.230 -5.794 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.909 -4.807 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.914 -5.089 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.931 -3.629 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.465 -5.094 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.079 -6.869 4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.539 -5.454 3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.881 -6.458 2.604 1.00 0.00 H new ATOM 569 N LEU A 35 3.320 -1.082 3.161 1.00 0.00 N ATOM 570 CA LEU A 35 3.599 0.143 2.423 1.00 0.00 C ATOM 571 C LEU A 35 4.633 0.962 3.179 1.00 0.00 C ATOM 572 O LEU A 35 5.530 1.564 2.589 1.00 0.00 O ATOM 573 CB LEU A 35 2.318 0.963 2.249 1.00 0.00 C ATOM 574 CG LEU A 35 1.231 0.317 1.390 1.00 0.00 C ATOM 575 CD1 LEU A 35 -0.059 1.115 1.488 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.679 0.222 -0.060 1.00 0.00 C ATOM 0 H LEU A 35 2.341 -1.207 3.417 1.00 0.00 H new ATOM 0 HA LEU A 35 3.985 -0.116 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.902 1.168 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.581 1.925 1.808 1.00 0.00 H new ATOM 0 HG LEU A 35 1.052 -0.692 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.825 0.645 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.393 1.141 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.115 2.132 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.891 -0.241 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.884 1.221 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.583 -0.383 -0.122 1.00 0.00 H new ATOM 588 N HIS A 36 4.492 0.963 4.499 1.00 0.00 N ATOM 589 CA HIS A 36 5.396 1.687 5.377 1.00 0.00 C ATOM 590 C HIS A 36 6.818 1.148 5.257 1.00 0.00 C ATOM 591 O HIS A 36 7.781 1.910 5.247 1.00 0.00 O ATOM 592 CB HIS A 36 4.904 1.581 6.823 1.00 0.00 C ATOM 593 CG HIS A 36 4.482 2.890 7.408 1.00 0.00 C ATOM 594 ND1 HIS A 36 5.313 3.990 7.478 1.00 0.00 N ATOM 595 CD2 HIS A 36 3.305 3.276 7.953 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.665 4.994 8.041 1.00 0.00 C ATOM 597 NE2 HIS A 36 3.444 4.587 8.338 1.00 0.00 N ATOM 0 H HIS A 36 3.749 0.463 4.987 1.00 0.00 H new ATOM 0 HA HIS A 36 5.409 2.735 5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.064 0.887 6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.698 1.156 7.438 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.421 2.666 8.064 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.065 5.980 8.227 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.722 5.154 8.781 1.00 0.00 H new ATOM 606 N THR A 37 6.938 -0.173 5.155 1.00 0.00 N ATOM 607 CA THR A 37 8.238 -0.821 5.020 1.00 0.00 C ATOM 608 C THR A 37 8.937 -0.337 3.756 1.00 0.00 C ATOM 609 O THR A 37 10.146 -0.102 3.745 1.00 0.00 O ATOM 610 CB THR A 37 8.094 -2.356 4.967 1.00 0.00 C ATOM 611 OG1 THR A 37 7.509 -2.834 6.183 1.00 0.00 O ATOM 612 CG2 THR A 37 9.440 -3.033 4.750 1.00 0.00 C ATOM 0 H THR A 37 6.147 -0.817 5.163 1.00 0.00 H new ATOM 0 HA THR A 37 8.833 -0.557 5.894 1.00 0.00 H new ATOM 0 HB THR A 37 7.447 -2.602 4.125 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.644 -2.396 6.324 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.303 -4.114 4.718 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.870 -2.694 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.112 -2.777 5.569 1.00 0.00 H new ATOM 939 N GLU A 57 8.289 -6.788 -3.412 1.00 0.00 N ATOM 940 CA GLU A 57 7.946 -7.263 -2.072 1.00 0.00 C ATOM 941 C GLU A 57 6.580 -6.756 -1.624 1.00 0.00 C ATOM 942 O GLU A 57 5.735 -7.534 -1.189 1.00 0.00 O ATOM 943 CB GLU A 57 8.995 -6.819 -1.053 1.00 0.00 C ATOM 944 CG GLU A 57 8.722 -7.335 0.353 1.00 0.00 C ATOM 945 CD GLU A 57 9.043 -8.809 0.503 1.00 0.00 C ATOM 946 OE1 GLU A 57 10.215 -9.187 0.288 1.00 0.00 O ATOM 947 OE2 GLU A 57 8.124 -9.587 0.836 1.00 0.00 O ATOM 0 HA GLU A 57 7.918 -8.351 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.976 -7.167 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.034 -5.730 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.314 -6.763 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.674 -7.168 0.601 1.00 0.00 H new ATOM 954 N VAL A 58 6.381 -5.444 -1.709 1.00 0.00 N ATOM 955 CA VAL A 58 5.128 -4.827 -1.280 1.00 0.00 C ATOM 956 C VAL A 58 3.922 -5.497 -1.923 1.00 0.00 C ATOM 957 O VAL A 58 2.951 -5.824 -1.243 1.00 0.00 O ATOM 958 CB VAL A 58 5.102 -3.325 -1.615 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.849 -2.670 -1.050 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.354 -2.641 -1.089 1.00 0.00 C ATOM 0 H VAL A 58 7.071 -4.786 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 58 5.072 -4.958 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 58 5.082 -3.214 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.850 -1.609 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.966 -3.142 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.833 -2.790 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.319 -1.580 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.407 -2.762 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.234 -3.091 -1.548 1.00 0.00 H new ATOM 970 N PHE A 59 3.987 -5.704 -3.228 1.00 0.00 N ATOM 971 CA PHE A 59 2.894 -6.341 -3.951 1.00 0.00 C ATOM 972 C PHE A 59 2.631 -7.742 -3.408 1.00 0.00 C ATOM 973 O PHE A 59 1.487 -8.196 -3.366 1.00 0.00 O ATOM 974 CB PHE A 59 3.214 -6.411 -5.445 1.00 0.00 C ATOM 975 CG PHE A 59 2.126 -7.038 -6.270 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.831 -6.545 -6.226 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.401 -8.118 -7.094 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.169 -7.119 -6.986 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.404 -8.695 -7.858 1.00 0.00 C ATOM 980 CZ PHE A 59 0.118 -8.195 -7.804 1.00 0.00 C ATOM 0 H PHE A 59 4.783 -5.441 -3.809 1.00 0.00 H new ATOM 0 HA PHE A 59 1.996 -5.740 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.402 -5.403 -5.814 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.135 -6.978 -5.584 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.602 -5.703 -5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.405 -8.513 -7.140 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.174 -6.727 -6.941 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.631 -9.536 -8.497 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.662 -8.644 -8.400 1.00 0.00 H new ATOM 990 N THR A 60 3.698 -8.428 -3.003 1.00 0.00 N ATOM 991 CA THR A 60 3.579 -9.782 -2.477 1.00 0.00 C ATOM 992 C THR A 60 3.022 -9.797 -1.054 1.00 0.00 C ATOM 993 O THR A 60 2.055 -10.499 -0.770 1.00 0.00 O ATOM 994 CB THR A 60 4.938 -10.507 -2.493 1.00 0.00 C ATOM 995 OG1 THR A 60 5.453 -10.554 -3.829 1.00 0.00 O ATOM 996 CG2 THR A 60 4.807 -11.921 -1.948 1.00 0.00 C ATOM 0 H THR A 60 4.652 -8.068 -3.030 1.00 0.00 H new ATOM 0 HA THR A 60 2.880 -10.305 -3.130 1.00 0.00 H new ATOM 0 HB THR A 60 5.626 -9.951 -1.856 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.318 -11.015 -3.830 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.780 -12.411 -1.970 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.443 -11.883 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.103 -12.484 -2.562 1.00 0.00 H new ATOM 1004 N GLU A 61 3.644 -9.026 -0.165 1.00 0.00 N ATOM 1005 CA GLU A 61 3.221 -8.957 1.228 1.00 0.00 C ATOM 1006 C GLU A 61 1.759 -8.533 1.327 1.00 0.00 C ATOM 1007 O GLU A 61 0.985 -9.114 2.088 1.00 0.00 O ATOM 1008 CB GLU A 61 4.113 -7.984 2.003 1.00 0.00 C ATOM 1009 CG GLU A 61 3.987 -8.103 3.514 1.00 0.00 C ATOM 1010 CD GLU A 61 4.442 -9.452 4.040 1.00 0.00 C ATOM 1011 OE1 GLU A 61 3.834 -10.476 3.663 1.00 0.00 O ATOM 1012 OE2 GLU A 61 5.409 -9.485 4.829 1.00 0.00 O ATOM 0 H GLU A 61 4.447 -8.438 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 61 3.319 -9.949 1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.152 -8.155 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.865 -6.965 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.577 -7.317 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.948 -7.938 3.801 1.00 0.00 H new ATOM 1019 N VAL A 62 1.382 -7.528 0.540 1.00 0.00 N ATOM 1020 CA VAL A 62 0.006 -7.047 0.528 1.00 0.00 C ATOM 1021 C VAL A 62 -0.927 -8.131 0.002 1.00 0.00 C ATOM 1022 O VAL A 62 -1.982 -8.385 0.578 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.149 -5.780 -0.337 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.615 -5.387 -0.455 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.666 -4.635 0.243 1.00 0.00 C ATOM 0 H VAL A 62 2.009 -7.034 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.258 -6.796 1.555 1.00 0.00 H new ATOM 0 HB VAL A 62 0.228 -5.999 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.703 -4.491 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.174 -6.200 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.019 -5.188 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.544 -3.749 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.320 -4.418 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.719 -4.916 0.273 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.521 -8.775 -1.091 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.315 -9.844 -1.685 1.00 0.00 C ATOM 1037 C ALA A 63 -1.530 -10.963 -0.675 1.00 0.00 C ATOM 1038 O ALA A 63 -2.626 -11.515 -0.564 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.633 -10.379 -2.936 1.00 0.00 C ATOM 0 H ALA A 63 0.351 -8.574 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.287 -9.441 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.238 -11.176 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.522 -9.574 -3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.350 -10.770 -2.675 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.476 -11.277 0.071 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.536 -12.313 1.092 1.00 0.00 C ATOM 1047 C ASN A 64 -1.604 -11.972 2.126 1.00 0.00 C ATOM 1048 O ASN A 64 -2.351 -12.842 2.576 1.00 0.00 O ATOM 1049 CB ASN A 64 0.834 -12.479 1.758 1.00 0.00 C ATOM 1050 CG ASN A 64 1.837 -13.173 0.852 1.00 0.00 C ATOM 1051 OD1 ASN A 64 2.986 -12.539 0.624 1.00 0.00 O flip ATOM 1052 ND2 ASN A 64 1.586 -14.276 0.367 1.00 0.00 N flip ATOM 0 H ASN A 64 0.434 -10.825 -0.014 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.805 -13.259 0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.220 -11.499 2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.721 -13.053 2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.694 -14.729 0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.270 -14.737 -0.233 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.683 -10.692 2.477 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.672 -10.212 3.433 1.00 0.00 C ATOM 1061 C LEU A 65 -4.069 -10.286 2.839 1.00 0.00 C ATOM 1062 O LEU A 65 -4.946 -10.983 3.350 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.373 -8.761 3.787 1.00 0.00 C ATOM 1064 CG LEU A 65 -1.699 -8.527 5.130 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.325 -7.064 5.254 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -2.622 -8.944 6.268 1.00 0.00 C ATOM 0 H LEU A 65 -1.069 -9.965 2.110 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.624 -10.840 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.739 -8.341 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.310 -8.204 3.771 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.795 -9.133 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.842 -6.892 6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.640 -6.794 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.224 -6.452 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.125 -8.770 7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.540 -8.358 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.863 -10.003 6.172 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.253 -9.538 1.759 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.528 -9.469 1.056 1.00 0.00 C ATOM 1080 C PHE A 66 -5.801 -10.743 0.257 1.00 0.00 C ATOM 1081 O PHE A 66 -6.337 -10.682 -0.850 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.529 -8.268 0.105 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.419 -6.922 0.778 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.120 -6.807 2.130 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.628 -5.764 0.046 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.029 -5.567 2.732 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.539 -4.522 0.644 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.239 -4.423 1.988 1.00 0.00 C ATOM 0 H PHE A 66 -3.521 -8.961 1.345 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.314 -9.359 1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.700 -8.377 -0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.447 -8.290 -0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.957 -7.698 2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.864 -5.834 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.794 -5.492 3.783 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.704 -3.628 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.169 -3.452 2.457 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.438 -11.895 0.815 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.659 -13.166 0.138 1.00 0.00 C ATOM 1100 C ARG A 67 -7.145 -13.354 -0.155 1.00 0.00 C ATOM 1101 O ARG A 67 -7.990 -13.110 0.706 1.00 0.00 O ATOM 1102 CB ARG A 67 -5.127 -14.323 0.990 1.00 0.00 C ATOM 1103 CG ARG A 67 -5.320 -15.690 0.351 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.706 -16.794 1.196 1.00 0.00 C ATOM 1105 NE ARG A 67 -3.265 -16.618 1.363 1.00 0.00 N ATOM 1106 CZ ARG A 67 -2.494 -17.457 2.047 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -3.021 -18.527 2.628 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -1.192 -17.228 2.152 1.00 0.00 N ATOM 0 H ARG A 67 -4.992 -11.973 1.729 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.117 -13.159 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.065 -14.166 1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.627 -14.310 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.384 -15.883 0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.868 -15.696 -0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.185 -16.810 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.902 -17.759 0.729 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.826 -15.805 0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.022 -18.708 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.425 -19.168 3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.781 -16.407 1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.602 -17.873 2.677 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.457 -13.767 -1.379 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.843 -13.954 -1.767 1.00 0.00 C ATOM 1124 C GLY A 68 -9.487 -12.653 -2.209 1.00 0.00 C ATOM 1125 O GLY A 68 -10.223 -12.620 -3.196 1.00 0.00 O ATOM 0 H GLY A 68 -6.775 -13.975 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.898 -14.680 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.402 -14.369 -0.928 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.203 -11.579 -1.475 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.742 -10.260 -1.784 1.00 0.00 C ATOM 1131 C GLN A 69 -8.981 -9.622 -2.946 1.00 0.00 C ATOM 1132 O GLN A 69 -8.499 -8.493 -2.842 1.00 0.00 O ATOM 1133 CB GLN A 69 -9.667 -9.354 -0.552 1.00 0.00 C ATOM 1134 CG GLN A 69 -10.606 -9.753 0.581 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.310 -11.124 1.164 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -10.549 -12.150 0.528 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -9.785 -11.146 2.383 1.00 0.00 N ATOM 0 H GLN A 69 -8.597 -11.600 -0.655 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.785 -10.379 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.644 -9.355 -0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.895 -8.332 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.541 -9.009 1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.632 -9.738 0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.603 -10.272 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.564 -12.037 2.827 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.868 -10.358 -4.047 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.159 -9.881 -5.230 1.00 0.00 C ATOM 1148 C GLU A 70 -8.765 -8.588 -5.766 1.00 0.00 C ATOM 1149 O GLU A 70 -8.148 -7.895 -6.576 1.00 0.00 O ATOM 1150 CB GLU A 70 -8.172 -10.953 -6.318 1.00 0.00 C ATOM 1151 CG GLU A 70 -7.443 -12.220 -5.914 1.00 0.00 C ATOM 1152 CD GLU A 70 -7.585 -13.335 -6.933 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -8.248 -13.114 -7.969 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -7.033 -14.431 -6.695 1.00 0.00 O ATOM 0 H GLU A 70 -9.261 -11.294 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.130 -9.672 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.205 -11.198 -6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.715 -10.550 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.386 -11.995 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.826 -12.563 -4.953 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.975 -8.268 -5.316 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.653 -7.057 -5.765 1.00 0.00 C ATOM 1163 C ASP A 71 -9.841 -5.819 -5.395 1.00 0.00 C ATOM 1164 O ASP A 71 -9.727 -4.883 -6.186 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.064 -6.978 -5.173 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.074 -6.974 -3.656 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -11.583 -5.994 -3.060 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -12.575 -7.954 -3.064 1.00 0.00 O ATOM 0 H ASP A 71 -10.503 -8.826 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.741 -7.095 -6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.554 -6.074 -5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.650 -7.824 -5.532 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.262 -5.828 -4.198 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.442 -4.713 -3.737 1.00 0.00 C ATOM 1175 C LEU A 72 -7.115 -4.686 -4.485 1.00 0.00 C ATOM 1176 O LEU A 72 -6.625 -3.623 -4.870 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.184 -4.822 -2.233 1.00 0.00 C ATOM 1178 CG LEU A 72 -9.431 -4.738 -1.351 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.064 -4.949 0.109 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.125 -3.396 -1.538 1.00 0.00 C ATOM 0 H LEU A 72 -9.346 -6.595 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.982 -3.788 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.681 -5.768 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.497 -4.028 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.120 -5.527 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.963 -4.886 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.609 -5.932 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.357 -4.180 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.010 -3.353 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.442 -2.592 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.420 -3.281 -2.581 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.544 -5.870 -4.693 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.296 -6.020 -5.386 1.00 0.00 C ATOM 1194 C LEU A 73 -5.371 -5.422 -6.783 1.00 0.00 C ATOM 1195 O LEU A 73 -4.387 -4.887 -7.292 1.00 0.00 O ATOM 1196 CB LEU A 73 -4.974 -7.502 -5.449 1.00 0.00 C ATOM 1197 CG LEU A 73 -3.944 -7.997 -4.434 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.643 -7.222 -4.558 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.504 -7.879 -3.030 1.00 0.00 C ATOM 0 H LEU A 73 -6.949 -6.751 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.508 -5.486 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.898 -8.063 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.612 -7.735 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.729 -9.045 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.927 -7.593 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.236 -7.352 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.831 -6.164 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.764 -8.234 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.743 -6.836 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.408 -8.482 -2.947 1.00 0.00 H new ATOM 1211 N SER A 74 -6.546 -5.513 -7.395 1.00 0.00 N ATOM 1212 CA SER A 74 -6.752 -4.973 -8.730 1.00 0.00 C ATOM 1213 C SER A 74 -6.442 -3.480 -8.749 1.00 0.00 C ATOM 1214 O SER A 74 -5.836 -2.972 -9.692 1.00 0.00 O ATOM 1215 CB SER A 74 -8.192 -5.212 -9.184 1.00 0.00 C ATOM 1216 OG SER A 74 -8.394 -4.749 -10.507 1.00 0.00 O ATOM 0 H SER A 74 -7.369 -5.956 -6.987 1.00 0.00 H new ATOM 0 HA SER A 74 -6.077 -5.483 -9.417 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.422 -6.276 -9.129 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.879 -4.702 -8.508 1.00 0.00 H new ATOM 0 HG SER A 74 -9.322 -4.915 -10.774 1.00 0.00 H new ATOM 1222 N GLU A 75 -6.858 -2.787 -7.693 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.625 -1.352 -7.576 1.00 0.00 C ATOM 1224 C GLU A 75 -5.154 -1.071 -7.284 1.00 0.00 C ATOM 1225 O GLU A 75 -4.547 -0.181 -7.879 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.496 -0.767 -6.464 1.00 0.00 C ATOM 1227 CG GLU A 75 -8.982 -1.028 -6.653 1.00 0.00 C ATOM 1228 CD GLU A 75 -9.829 -0.387 -5.571 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.618 -0.712 -4.383 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.702 0.439 -5.911 1.00 0.00 O ATOM 0 H GLU A 75 -7.359 -3.197 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.890 -0.881 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.181 -1.186 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.329 0.309 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.293 -0.647 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.160 -2.103 -6.659 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.596 -1.843 -6.359 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.200 -1.701 -5.965 1.00 0.00 C ATOM 1239 C PHE A 76 -2.279 -1.855 -7.170 1.00 0.00 C ATOM 1240 O PHE A 76 -1.291 -1.132 -7.311 1.00 0.00 O ATOM 1241 CB PHE A 76 -2.861 -2.753 -4.905 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.489 -2.616 -4.303 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -0.973 -1.370 -3.982 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.721 -3.742 -4.049 1.00 0.00 C ATOM 1245 CE1 PHE A 76 0.284 -1.250 -3.420 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.535 -3.628 -3.486 1.00 0.00 C ATOM 1247 CZ PHE A 76 1.039 -2.380 -3.170 1.00 0.00 C ATOM 0 H PHE A 76 -5.096 -2.581 -5.863 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.051 -0.704 -5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.601 -2.697 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.950 -3.743 -5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.560 -0.484 -4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.109 -4.719 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.676 -0.274 -3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.123 -4.513 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.021 -2.288 -2.729 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.614 -2.807 -8.033 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.820 -3.059 -9.220 1.00 0.00 C ATOM 1259 C GLY A 77 -1.853 -1.912 -10.212 1.00 0.00 C ATOM 1260 O GLY A 77 -0.865 -1.654 -10.899 1.00 0.00 O ATOM 0 H GLY A 77 -3.428 -3.413 -7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.788 -3.248 -8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.183 -3.964 -9.707 1.00 0.00 H new ATOM 1423 N ILE B 2 3.606 5.393 -4.078 1.00 0.00 N ATOM 1424 CA ILE B 2 3.139 4.744 -2.858 1.00 0.00 C ATOM 1425 C ILE B 2 2.912 5.769 -1.750 1.00 0.00 C ATOM 1426 O ILE B 2 2.079 5.566 -0.866 1.00 0.00 O ATOM 1427 CB ILE B 2 4.137 3.669 -2.381 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.339 2.612 -3.473 1.00 0.00 C ATOM 1429 CG2 ILE B 2 3.653 3.019 -1.093 1.00 0.00 C ATOM 1430 CD1 ILE B 2 3.065 1.900 -3.880 1.00 0.00 C ATOM 0 HA ILE B 2 2.191 4.258 -3.088 1.00 0.00 H new ATOM 0 HB ILE B 2 5.094 4.151 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.774 3.089 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE B 2 5.060 1.874 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.372 2.264 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE B 2 3.556 3.778 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE B 2 2.685 2.549 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE B 2 3.289 1.168 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.639 1.392 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.349 2.627 -4.263 1.00 0.00 H new ATOM 1442 N GLN B 3 3.653 6.873 -1.816 1.00 0.00 N ATOM 1443 CA GLN B 3 3.536 7.945 -0.836 1.00 0.00 C ATOM 1444 C GLN B 3 2.081 8.355 -0.662 1.00 0.00 C ATOM 1445 O GLN B 3 1.640 8.667 0.443 1.00 0.00 O ATOM 1446 CB GLN B 3 4.360 9.154 -1.284 1.00 0.00 C ATOM 1447 CG GLN B 3 4.081 10.413 -0.481 1.00 0.00 C ATOM 1448 CD GLN B 3 4.718 11.645 -1.093 1.00 0.00 C ATOM 1449 OE1 GLN B 3 5.940 11.787 -1.106 1.00 0.00 O ATOM 1450 NE2 GLN B 3 3.884 12.535 -1.620 1.00 0.00 N ATOM 0 H GLN B 3 4.345 7.047 -2.545 1.00 0.00 H new ATOM 0 HA GLN B 3 3.915 7.581 0.119 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.419 8.910 -1.205 1.00 0.00 H new ATOM 0 HB3 GLN B 3 4.156 9.352 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN B 3 3.004 10.563 -0.409 1.00 0.00 H new ATOM 0 HG3 GLN B 3 4.453 10.282 0.535 1.00 0.00 H new ATOM 0 HE21 GLN B 3 2.877 12.374 -1.585 1.00 0.00 H new ATOM 0 HE22 GLN B 3 4.250 13.379 -2.059 1.00 0.00 H new ATOM 1459 N MET B 4 1.348 8.354 -1.766 1.00 0.00 N ATOM 1460 CA MET B 4 -0.056 8.729 -1.754 1.00 0.00 C ATOM 1461 C MET B 4 -0.854 7.832 -0.812 1.00 0.00 C ATOM 1462 O MET B 4 -1.745 8.304 -0.108 1.00 0.00 O ATOM 1463 CB MET B 4 -0.627 8.657 -3.169 1.00 0.00 C ATOM 1464 CG MET B 4 0.132 9.520 -4.165 1.00 0.00 C ATOM 1465 SD MET B 4 -0.542 9.418 -5.833 1.00 0.00 S ATOM 1466 CE MET B 4 0.589 10.485 -6.719 1.00 0.00 C ATOM 0 H MET B 4 1.706 8.096 -2.686 1.00 0.00 H new ATOM 0 HA MET B 4 -0.136 9.753 -1.390 1.00 0.00 H new ATOM 0 HB2 MET B 4 -0.610 7.621 -3.508 1.00 0.00 H new ATOM 0 HB3 MET B 4 -1.671 8.969 -3.149 1.00 0.00 H new ATOM 0 HG2 MET B 4 0.109 10.557 -3.832 1.00 0.00 H new ATOM 0 HG3 MET B 4 1.178 9.214 -4.181 1.00 0.00 H new ATOM 0 HE1 MET B 4 0.303 10.525 -7.770 1.00 0.00 H new ATOM 0 HE2 MET B 4 0.551 11.488 -6.294 1.00 0.00 H new ATOM 0 HE3 MET B 4 1.602 10.092 -6.633 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.533 6.540 -0.800 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.232 5.597 0.066 1.00 0.00 C ATOM 1478 C LEU B 5 -0.849 5.808 1.530 1.00 0.00 C ATOM 1479 O LEU B 5 -1.723 5.881 2.395 1.00 0.00 O ATOM 1480 CB LEU B 5 -0.974 4.151 -0.370 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.474 3.806 -1.781 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.490 2.303 -1.993 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -2.860 4.389 -2.024 1.00 0.00 C ATOM 0 H LEU B 5 0.200 6.126 -1.375 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.301 5.786 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.098 3.957 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.452 3.480 0.344 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.784 4.250 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.847 2.081 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.482 1.908 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.153 1.839 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.192 4.131 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.560 3.980 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.822 5.473 -1.922 1.00 0.00 H new ATOM 1495 N LEU B 6 0.450 5.939 1.809 1.00 0.00 N ATOM 1496 CA LEU B 6 0.901 6.182 3.180 1.00 0.00 C ATOM 1497 C LEU B 6 0.236 7.440 3.715 1.00 0.00 C ATOM 1498 O LEU B 6 -0.217 7.492 4.859 1.00 0.00 O ATOM 1499 CB LEU B 6 2.426 6.351 3.248 1.00 0.00 C ATOM 1500 CG LEU B 6 3.253 5.061 3.291 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.811 4.171 4.442 1.00 0.00 C ATOM 1502 CD2 LEU B 6 3.167 4.312 1.974 1.00 0.00 C ATOM 0 H LEU B 6 1.197 5.882 1.116 1.00 0.00 H new ATOM 0 HA LEU B 6 0.624 5.319 3.785 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.744 6.932 2.383 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.665 6.940 4.133 1.00 0.00 H new ATOM 0 HG LEU B 6 4.294 5.340 3.454 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.413 3.262 4.451 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.943 4.703 5.384 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.760 3.909 4.317 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.763 3.401 2.034 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.128 4.053 1.770 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.548 4.943 1.171 1.00 0.00 H new ATOM 1514 N GLU B 7 0.183 8.452 2.858 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.421 9.732 3.193 1.00 0.00 C ATOM 1516 C GLU B 7 -1.936 9.599 3.330 1.00 0.00 C ATOM 1517 O GLU B 7 -2.555 10.248 4.174 1.00 0.00 O ATOM 1518 CB GLU B 7 -0.076 10.758 2.109 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.652 12.143 2.365 1.00 0.00 C ATOM 1520 CD GLU B 7 -0.098 12.790 3.621 1.00 0.00 C ATOM 1521 OE1 GLU B 7 -0.314 12.240 4.721 1.00 0.00 O ATOM 1522 OE2 GLU B 7 0.554 13.849 3.502 1.00 0.00 O ATOM 0 H GLU B 7 0.558 8.407 1.911 1.00 0.00 H new ATOM 0 HA GLU B 7 -0.024 10.068 4.151 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.008 10.836 2.028 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.442 10.395 1.149 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.440 12.783 1.509 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.736 12.070 2.448 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.525 8.757 2.486 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.967 8.531 2.496 1.00 0.00 C ATOM 1531 C ALA B 8 -4.436 7.962 3.829 1.00 0.00 C ATOM 1532 O ALA B 8 -5.443 8.406 4.383 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.355 7.596 1.361 1.00 0.00 C ATOM 0 H ALA B 8 -2.022 8.217 1.782 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.458 9.494 2.355 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.433 7.433 1.376 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.069 8.042 0.408 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.842 6.642 1.484 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.704 6.978 4.340 1.00 0.00 N ATOM 1540 CA ALA B 9 -4.050 6.349 5.609 1.00 0.00 C ATOM 1541 C ALA B 9 -4.156 7.387 6.718 1.00 0.00 C ATOM 1542 O ALA B 9 -5.065 7.335 7.546 1.00 0.00 O ATOM 1543 CB ALA B 9 -3.022 5.289 5.972 1.00 0.00 C ATOM 0 H ALA B 9 -2.868 6.599 3.895 1.00 0.00 H new ATOM 0 HA ALA B 9 -5.023 5.870 5.498 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.294 4.828 6.922 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.995 4.527 5.194 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.039 5.751 6.061 1.00 0.00 H new ATOM 1549 N ASP B 10 -3.223 8.333 6.725 1.00 0.00 N ATOM 1550 CA ASP B 10 -3.213 9.393 7.727 1.00 0.00 C ATOM 1551 C ASP B 10 -4.431 10.296 7.567 1.00 0.00 C ATOM 1552 O ASP B 10 -5.024 10.736 8.553 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.928 10.218 7.618 1.00 0.00 C ATOM 1554 CG ASP B 10 -1.868 11.331 8.645 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.901 11.025 9.855 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -1.787 12.509 8.239 1.00 0.00 O ATOM 0 H ASP B 10 -2.463 8.387 6.047 1.00 0.00 H new ATOM 0 HA ASP B 10 -3.251 8.931 8.713 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -1.067 9.563 7.746 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.858 10.646 6.618 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.800 10.567 6.316 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.950 11.417 6.020 1.00 0.00 C ATOM 1563 C TYR B 11 -7.213 10.876 6.681 1.00 0.00 C ATOM 1564 O TYR B 11 -7.894 11.590 7.417 1.00 0.00 O ATOM 1565 CB TYR B 11 -6.158 11.510 4.507 1.00 0.00 C ATOM 1566 CG TYR B 11 -7.379 12.307 4.104 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -7.503 13.651 4.437 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -8.410 11.711 3.391 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -8.620 14.376 4.069 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -9.528 12.429 3.019 1.00 0.00 C ATOM 1571 CZ TYR B 11 -9.629 13.761 3.359 1.00 0.00 C ATOM 1572 OH TYR B 11 -10.744 14.481 2.990 1.00 0.00 O ATOM 0 H TYR B 11 -4.318 10.209 5.491 1.00 0.00 H new ATOM 0 HA TYR B 11 -5.749 12.411 6.420 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -5.275 11.963 4.056 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -6.243 10.503 4.099 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -6.714 14.136 4.992 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -8.336 10.667 3.123 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -8.702 15.419 4.336 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -10.321 11.949 2.464 1.00 0.00 H new ATOM 0 HH TYR B 11 -11.359 13.901 2.495 1.00 0.00 H new ATOM 1582 N LEU B 12 -7.517 9.609 6.417 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.694 8.969 6.991 1.00 0.00 C ATOM 1584 C LEU B 12 -8.536 8.813 8.499 1.00 0.00 C ATOM 1585 O LEU B 12 -9.465 9.076 9.263 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.927 7.601 6.343 1.00 0.00 C ATOM 1587 CG LEU B 12 -9.222 7.635 4.842 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -9.301 6.224 4.281 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -10.516 8.389 4.570 1.00 0.00 C ATOM 0 H LEU B 12 -6.964 9.005 5.809 1.00 0.00 H new ATOM 0 HA LEU B 12 -9.559 9.603 6.795 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -8.045 6.982 6.510 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.760 7.113 6.850 1.00 0.00 H new ATOM 0 HG LEU B 12 -8.406 8.158 4.343 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.511 6.269 3.212 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -8.351 5.714 4.443 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -10.097 5.676 4.785 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.710 8.403 3.498 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -11.341 7.893 5.082 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -10.425 9.412 4.936 1.00 0.00 H new ATOM 1601 N GLU B 13 -7.346 8.389 8.915 1.00 0.00 N ATOM 1602 CA GLU B 13 -7.040 8.199 10.329 1.00 0.00 C ATOM 1603 C GLU B 13 -8.051 7.265 10.990 1.00 0.00 C ATOM 1604 O GLU B 13 -7.840 6.036 10.939 1.00 0.00 O ATOM 1605 CB GLU B 13 -7.014 9.550 11.045 1.00 0.00 C ATOM 1606 CG GLU B 13 -6.617 9.460 12.509 1.00 0.00 C ATOM 1607 CD GLU B 13 -6.613 10.814 13.192 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -7.681 11.460 13.237 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -5.541 11.230 13.680 1.00 0.00 O ATOM 1610 OXT GLU B 13 -9.046 7.771 11.552 1.00 0.00 O ATOM 0 H GLU B 13 -6.573 8.169 8.287 1.00 0.00 H new ATOM 0 HA GLU B 13 -6.056 7.736 10.407 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -6.317 10.211 10.529 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -8.000 10.008 10.973 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -7.307 8.796 13.029 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.625 9.014 12.587 1.00 0.00 H new