USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=13 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 -1:sc= -2.66! USER MOD Single : A 15 ASN : amide:sc= -0.611 K(o=-0.61,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0.753 (180deg=0.648) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 153:sc= 0.0519 USER MOD Single : A 30 SER OG : rot -11:sc= -0.961 USER MOD Single : A 36 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=-0.19) USER MOD Single : A 37 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.49 F(o=-5.1!,f=-1.5) USER MOD Single : A 69 GLN : amide:sc= -2.69! C(o=-2.7!,f=-6.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN :FLIP amide:sc= -2.86 F(o=-5.9!,f=-2.9) USER MOD Single : B 4 MET CE :methyl -163:sc= -0.14 (180deg=-0.723) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.753 7.996 -4.238 1.00 0.00 N ATOM 132 CA ALA A 10 -6.044 7.128 -3.309 1.00 0.00 C ATOM 133 C ALA A 10 -6.869 6.888 -2.047 1.00 0.00 C ATOM 134 O ALA A 10 -6.970 5.759 -1.562 1.00 0.00 O ATOM 135 CB ALA A 10 -4.697 7.737 -2.951 1.00 0.00 C ATOM 0 HA ALA A 10 -5.881 6.166 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.174 7.080 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.100 7.857 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.850 8.711 -2.485 1.00 0.00 H new ATOM 141 N ILE A 11 -7.455 7.963 -1.521 1.00 0.00 N ATOM 142 CA ILE A 11 -8.268 7.882 -0.312 1.00 0.00 C ATOM 143 C ILE A 11 -9.351 6.819 -0.451 1.00 0.00 C ATOM 144 O ILE A 11 -9.600 6.050 0.475 1.00 0.00 O ATOM 145 CB ILE A 11 -8.939 9.231 0.011 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.900 10.353 0.091 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.716 9.132 1.312 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.845 10.141 1.157 1.00 0.00 C ATOM 0 H ILE A 11 -7.381 8.901 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.593 7.615 0.501 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.633 9.471 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.409 10.449 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.412 11.296 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.185 10.091 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.485 8.365 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.036 8.869 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.147 10.978 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.323 10.076 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.304 9.216 0.955 1.00 0.00 H new ATOM 160 N SER A 12 -9.992 6.788 -1.612 1.00 0.00 N ATOM 161 CA SER A 12 -11.053 5.825 -1.879 1.00 0.00 C ATOM 162 C SER A 12 -10.553 4.395 -1.697 1.00 0.00 C ATOM 163 O SER A 12 -11.275 3.538 -1.189 1.00 0.00 O ATOM 164 CB SER A 12 -11.596 6.012 -3.297 1.00 0.00 C ATOM 165 OG SER A 12 -12.630 5.082 -3.574 1.00 0.00 O ATOM 0 H SER A 12 -9.795 7.421 -2.387 1.00 0.00 H new ATOM 0 HA SER A 12 -11.856 6.002 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.975 7.027 -3.414 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.788 5.888 -4.018 1.00 0.00 H new ATOM 0 HG SER A 12 -12.961 5.223 -4.485 1.00 0.00 H new ATOM 171 N TYR A 13 -9.314 4.144 -2.115 1.00 0.00 N ATOM 172 CA TYR A 13 -8.723 2.815 -1.993 1.00 0.00 C ATOM 173 C TYR A 13 -8.581 2.420 -0.531 1.00 0.00 C ATOM 174 O TYR A 13 -9.078 1.379 -0.103 1.00 0.00 O ATOM 175 CB TYR A 13 -7.350 2.784 -2.663 1.00 0.00 C ATOM 176 CG TYR A 13 -6.651 1.444 -2.565 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.304 0.266 -2.910 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.335 1.358 -2.126 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.665 -0.957 -2.819 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.690 0.140 -2.032 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.359 -1.014 -2.381 1.00 0.00 C ATOM 182 OH TYR A 13 -4.723 -2.231 -2.285 1.00 0.00 O ATOM 0 H TYR A 13 -8.702 4.841 -2.540 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.385 2.104 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.463 3.048 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.718 3.547 -2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.327 0.307 -3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.807 2.260 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.187 -1.863 -3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.668 0.092 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.341 -2.945 -2.547 1.00 0.00 H new ATOM 192 N VAL A 14 -7.889 3.261 0.226 1.00 0.00 N ATOM 193 CA VAL A 14 -7.662 3.013 1.646 1.00 0.00 C ATOM 194 C VAL A 14 -8.978 2.849 2.399 1.00 0.00 C ATOM 195 O VAL A 14 -9.127 1.943 3.221 1.00 0.00 O ATOM 196 CB VAL A 14 -6.863 4.159 2.293 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.487 3.805 3.722 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.626 4.485 1.469 1.00 0.00 C ATOM 0 H VAL A 14 -7.473 4.125 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.089 2.088 1.714 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.494 5.048 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.923 4.626 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.392 3.632 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.876 2.902 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.076 5.297 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.988 3.603 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.926 4.788 0.466 1.00 0.00 H new ATOM 208 N ASN A 15 -9.925 3.735 2.116 1.00 0.00 N ATOM 209 CA ASN A 15 -11.233 3.707 2.764 1.00 0.00 C ATOM 210 C ASN A 15 -11.923 2.375 2.544 1.00 0.00 C ATOM 211 O ASN A 15 -12.311 1.694 3.493 1.00 0.00 O ATOM 212 CB ASN A 15 -12.110 4.815 2.202 1.00 0.00 C ATOM 213 CG ASN A 15 -13.389 4.996 2.981 1.00 0.00 C ATOM 214 OD1 ASN A 15 -14.115 4.038 3.246 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.682 6.232 3.330 1.00 0.00 N ATOM 0 H ASN A 15 -9.811 4.488 1.437 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.081 3.853 3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.552 5.751 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.351 4.591 1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.542 6.427 3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.049 6.994 3.088 1.00 0.00 H new ATOM 222 N LYS A 16 -12.079 2.021 1.278 1.00 0.00 N ATOM 223 CA LYS A 16 -12.735 0.772 0.903 1.00 0.00 C ATOM 224 C LYS A 16 -12.090 -0.407 1.622 1.00 0.00 C ATOM 225 O LYS A 16 -12.771 -1.348 2.027 1.00 0.00 O ATOM 226 CB LYS A 16 -12.669 0.561 -0.613 1.00 0.00 C ATOM 227 CG LYS A 16 -13.440 -0.658 -1.094 1.00 0.00 C ATOM 228 CD LYS A 16 -13.335 -0.825 -2.602 1.00 0.00 C ATOM 229 CE LYS A 16 -14.098 -2.050 -3.081 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.947 -2.259 -4.548 1.00 0.00 N ATOM 0 H LYS A 16 -11.760 2.582 0.488 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.781 0.836 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.060 1.448 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.626 0.461 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.056 -1.551 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.488 -0.562 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.726 0.065 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.287 -0.913 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.740 -2.932 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.154 -1.938 -2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.482 -3.103 -4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.312 -1.428 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.941 -2.391 -4.778 1.00 0.00 H new ATOM 244 N ILE A 17 -10.776 -0.342 1.793 1.00 0.00 N ATOM 245 CA ILE A 17 -10.046 -1.396 2.483 1.00 0.00 C ATOM 246 C ILE A 17 -10.489 -1.479 3.939 1.00 0.00 C ATOM 247 O ILE A 17 -10.663 -2.568 4.487 1.00 0.00 O ATOM 248 CB ILE A 17 -8.527 -1.155 2.417 1.00 0.00 C ATOM 249 CG1 ILE A 17 -8.043 -1.274 0.971 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.785 -2.132 3.320 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.572 -0.975 0.795 1.00 0.00 C ATOM 0 H ILE A 17 -10.195 0.429 1.464 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.268 -2.339 1.983 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.316 -0.147 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.245 -2.283 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.620 -0.592 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.713 -1.943 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.117 -2.000 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.993 -3.153 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.303 -1.080 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.366 0.044 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.985 -1.673 1.391 1.00 0.00 H new ATOM 263 N LYS A 18 -10.677 -0.317 4.553 1.00 0.00 N ATOM 264 CA LYS A 18 -11.110 -0.241 5.943 1.00 0.00 C ATOM 265 C LYS A 18 -12.505 -0.830 6.100 1.00 0.00 C ATOM 266 O LYS A 18 -12.728 -1.735 6.905 1.00 0.00 O ATOM 267 CB LYS A 18 -11.125 1.216 6.404 1.00 0.00 C ATOM 268 CG LYS A 18 -11.467 1.389 7.877 1.00 0.00 C ATOM 269 CD LYS A 18 -11.584 2.857 8.261 1.00 0.00 C ATOM 270 CE LYS A 18 -10.270 3.598 8.071 1.00 0.00 C ATOM 271 NZ LYS A 18 -10.387 5.038 8.434 1.00 0.00 N ATOM 0 H LYS A 18 -10.536 0.590 4.108 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.411 -0.813 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.147 1.658 6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.848 1.770 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.406 0.880 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.699 0.914 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.358 3.330 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.899 2.936 9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.498 3.131 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.950 3.510 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.449 5.485 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.029 5.513 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.764 5.123 9.399 1.00 0.00 H new ATOM 285 N THR A 19 -13.437 -0.297 5.322 1.00 0.00 N ATOM 286 CA THR A 19 -14.823 -0.747 5.358 1.00 0.00 C ATOM 287 C THR A 19 -14.935 -2.230 5.024 1.00 0.00 C ATOM 288 O THR A 19 -15.827 -2.921 5.515 1.00 0.00 O ATOM 289 CB THR A 19 -15.710 0.065 4.391 1.00 0.00 C ATOM 290 OG1 THR A 19 -17.084 -0.303 4.558 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.299 -0.162 2.946 1.00 0.00 C ATOM 0 H THR A 19 -13.257 0.452 4.654 1.00 0.00 H new ATOM 0 HA THR A 19 -15.177 -0.586 6.376 1.00 0.00 H new ATOM 0 HB THR A 19 -15.581 1.121 4.626 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.640 0.218 3.942 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.942 0.423 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.263 0.147 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.397 -1.220 2.702 1.00 0.00 H new ATOM 299 N ARG A 20 -14.030 -2.716 4.184 1.00 0.00 N ATOM 300 CA ARG A 20 -14.037 -4.119 3.792 1.00 0.00 C ATOM 301 C ARG A 20 -13.674 -5.016 4.972 1.00 0.00 C ATOM 302 O ARG A 20 -14.426 -5.924 5.329 1.00 0.00 O ATOM 303 CB ARG A 20 -13.062 -4.353 2.635 1.00 0.00 C ATOM 304 CG ARG A 20 -12.930 -5.813 2.231 1.00 0.00 C ATOM 305 CD ARG A 20 -14.289 -6.441 1.978 1.00 0.00 C ATOM 306 NE ARG A 20 -14.185 -7.829 1.534 1.00 0.00 N ATOM 307 CZ ARG A 20 -13.624 -8.199 0.386 1.00 0.00 C ATOM 308 NH1 ARG A 20 -13.114 -7.290 -0.436 1.00 0.00 N ATOM 309 NH2 ARG A 20 -13.574 -9.483 0.056 1.00 0.00 N ATOM 0 H ARG A 20 -13.285 -2.162 3.763 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.045 -4.374 3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.391 -3.775 1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.080 -3.973 2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.319 -5.890 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.413 -6.364 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.882 -6.398 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.821 -5.860 1.225 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.565 -8.557 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.151 -6.301 -0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.685 -7.580 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.966 -10.186 0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.144 -9.767 -0.824 1.00 0.00 H new ATOM 323 N PHE A 21 -12.515 -4.759 5.566 1.00 0.00 N ATOM 324 CA PHE A 21 -12.044 -5.544 6.701 1.00 0.00 C ATOM 325 C PHE A 21 -12.429 -4.907 8.037 1.00 0.00 C ATOM 326 O PHE A 21 -11.632 -4.893 8.975 1.00 0.00 O ATOM 327 CB PHE A 21 -10.524 -5.721 6.633 1.00 0.00 C ATOM 328 CG PHE A 21 -10.049 -6.498 5.434 1.00 0.00 C ATOM 329 CD1 PHE A 21 -9.993 -5.907 4.182 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.660 -7.821 5.564 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.555 -6.623 3.084 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.222 -8.542 4.470 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.169 -7.941 3.228 1.00 0.00 C ATOM 0 H PHE A 21 -11.883 -4.012 5.280 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.529 -6.518 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.054 -4.737 6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.187 -6.227 7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.295 -4.877 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.700 -8.295 6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.515 -6.152 2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.922 -9.573 4.586 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.826 -8.501 2.370 1.00 0.00 H new ATOM 343 N LEU A 22 -13.655 -4.392 8.128 1.00 0.00 N ATOM 344 CA LEU A 22 -14.130 -3.772 9.365 1.00 0.00 C ATOM 345 C LEU A 22 -14.041 -4.747 10.534 1.00 0.00 C ATOM 346 O LEU A 22 -13.764 -4.352 11.666 1.00 0.00 O ATOM 347 CB LEU A 22 -15.575 -3.290 9.211 1.00 0.00 C ATOM 348 CG LEU A 22 -15.763 -2.046 8.343 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.242 -1.736 8.170 1.00 0.00 C ATOM 350 CD2 LEU A 22 -15.037 -0.854 8.950 1.00 0.00 C ATOM 0 H LEU A 22 -14.333 -4.391 7.366 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.488 -2.915 9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.167 -4.101 8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.979 -3.085 10.202 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.334 -2.245 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.357 -0.847 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.737 -2.580 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.693 -1.558 9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.183 0.022 8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.435 -0.653 9.945 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.972 -1.075 9.023 1.00 0.00 H new ATOM 362 N ASP A 23 -14.287 -6.021 10.250 1.00 0.00 N ATOM 363 CA ASP A 23 -14.246 -7.056 11.274 1.00 0.00 C ATOM 364 C ASP A 23 -12.808 -7.391 11.656 1.00 0.00 C ATOM 365 O ASP A 23 -12.505 -7.614 12.828 1.00 0.00 O ATOM 366 CB ASP A 23 -14.966 -8.311 10.780 1.00 0.00 C ATOM 367 CG ASP A 23 -15.037 -9.405 11.829 1.00 0.00 C ATOM 368 OD1 ASP A 23 -14.592 -9.168 12.972 1.00 0.00 O ATOM 369 OD2 ASP A 23 -15.548 -10.498 11.509 1.00 0.00 O ATOM 0 H ASP A 23 -14.517 -6.362 9.317 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.754 -6.678 12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.977 -8.045 10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.453 -8.694 9.898 1.00 0.00 H new ATOM 374 N HIS A 24 -11.927 -7.440 10.657 1.00 0.00 N ATOM 375 CA HIS A 24 -10.531 -7.757 10.875 1.00 0.00 C ATOM 376 C HIS A 24 -9.644 -6.517 10.708 1.00 0.00 C ATOM 377 O HIS A 24 -8.985 -6.355 9.682 1.00 0.00 O ATOM 378 CB HIS A 24 -10.112 -8.838 9.889 1.00 0.00 C ATOM 379 CG HIS A 24 -10.901 -10.103 10.018 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.914 -10.869 11.165 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.716 -10.732 9.138 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.702 -11.914 10.985 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.200 -11.854 9.763 1.00 0.00 N ATOM 0 H HIS A 24 -12.167 -7.261 9.682 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.407 -8.114 11.897 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.219 -8.454 8.874 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.055 -9.062 10.035 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.943 -10.411 8.132 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.904 -12.686 11.713 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.841 -12.532 9.351 1.00 0.00 H new ATOM 392 N PRO A 25 -9.614 -5.622 11.716 1.00 0.00 N ATOM 393 CA PRO A 25 -8.799 -4.401 11.666 1.00 0.00 C ATOM 394 C PRO A 25 -7.312 -4.701 11.512 1.00 0.00 C ATOM 395 O PRO A 25 -6.582 -3.947 10.868 1.00 0.00 O ATOM 396 CB PRO A 25 -9.073 -3.722 13.008 1.00 0.00 C ATOM 397 CG PRO A 25 -9.602 -4.801 13.888 1.00 0.00 C ATOM 398 CD PRO A 25 -10.359 -5.725 12.980 1.00 0.00 C ATOM 0 HA PRO A 25 -9.055 -3.782 10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.164 -3.286 13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.795 -2.912 12.900 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.792 -5.326 14.395 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.252 -4.393 14.662 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.371 -6.746 13.361 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.398 -5.416 12.864 1.00 0.00 H new ATOM 406 N GLU A 26 -6.870 -5.807 12.108 1.00 0.00 N ATOM 407 CA GLU A 26 -5.469 -6.212 12.038 1.00 0.00 C ATOM 408 C GLU A 26 -4.978 -6.226 10.592 1.00 0.00 C ATOM 409 O GLU A 26 -3.819 -5.918 10.315 1.00 0.00 O ATOM 410 CB GLU A 26 -5.283 -7.595 12.666 1.00 0.00 C ATOM 411 CG GLU A 26 -6.097 -8.687 11.989 1.00 0.00 C ATOM 412 CD GLU A 26 -5.896 -10.047 12.629 1.00 0.00 C ATOM 413 OE1 GLU A 26 -4.745 -10.530 12.649 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.891 -10.630 13.110 1.00 0.00 O ATOM 0 H GLU A 26 -7.464 -6.439 12.645 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.879 -5.486 12.596 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.227 -7.863 12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.561 -7.547 13.719 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.154 -8.424 12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.821 -8.741 10.936 1.00 0.00 H new ATOM 421 N ILE A 27 -5.874 -6.582 9.675 1.00 0.00 N ATOM 422 CA ILE A 27 -5.543 -6.633 8.255 1.00 0.00 C ATOM 423 C ILE A 27 -5.205 -5.238 7.744 1.00 0.00 C ATOM 424 O ILE A 27 -4.219 -5.042 7.034 1.00 0.00 O ATOM 425 CB ILE A 27 -6.721 -7.176 7.428 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.389 -8.351 8.148 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.242 -7.586 6.040 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.650 -9.661 8.034 1.00 0.00 C ATOM 0 H ILE A 27 -6.837 -6.840 9.891 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.686 -7.297 8.143 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.465 -6.387 7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.496 -8.100 9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.395 -8.481 7.748 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.084 -7.969 5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.817 -6.721 5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.482 -8.362 6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.196 -10.435 8.574 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.566 -9.941 6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.653 -9.555 8.462 1.00 0.00 H new ATOM 440 N TYR A 28 -6.042 -4.274 8.116 1.00 0.00 N ATOM 441 CA TYR A 28 -5.859 -2.888 7.711 1.00 0.00 C ATOM 442 C TYR A 28 -4.508 -2.361 8.183 1.00 0.00 C ATOM 443 O TYR A 28 -3.751 -1.780 7.407 1.00 0.00 O ATOM 444 CB TYR A 28 -6.983 -2.031 8.286 1.00 0.00 C ATOM 445 CG TYR A 28 -6.941 -0.584 7.860 1.00 0.00 C ATOM 446 CD1 TYR A 28 -7.115 -0.230 6.531 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.728 0.428 8.788 1.00 0.00 C ATOM 448 CE1 TYR A 28 -7.080 1.093 6.134 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.691 1.753 8.401 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.867 2.081 7.073 1.00 0.00 C ATOM 451 OH TYR A 28 -6.832 3.399 6.685 1.00 0.00 O ATOM 0 H TYR A 28 -6.861 -4.432 8.703 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.886 -2.837 6.623 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.940 -2.458 7.986 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.940 -2.079 9.374 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.281 -1.001 5.793 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.589 0.174 9.829 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.219 1.352 5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.525 2.528 9.134 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.107 3.968 7.434 1.00 0.00 H new ATOM 461 N ARG A 29 -4.218 -2.575 9.463 1.00 0.00 N ATOM 462 CA ARG A 29 -2.963 -2.130 10.056 1.00 0.00 C ATOM 463 C ARG A 29 -1.761 -2.689 9.303 1.00 0.00 C ATOM 464 O ARG A 29 -0.896 -1.938 8.853 1.00 0.00 O ATOM 465 CB ARG A 29 -2.906 -2.573 11.514 1.00 0.00 C ATOM 466 CG ARG A 29 -3.945 -1.900 12.393 1.00 0.00 C ATOM 467 CD ARG A 29 -3.706 -0.401 12.496 1.00 0.00 C ATOM 468 NE ARG A 29 -4.714 0.257 13.322 1.00 0.00 N ATOM 469 CZ ARG A 29 -4.737 1.566 13.558 1.00 0.00 C ATOM 470 NH1 ARG A 29 -3.804 2.355 13.040 1.00 0.00 N ATOM 471 NH2 ARG A 29 -5.691 2.087 14.316 1.00 0.00 N ATOM 0 H ARG A 29 -4.840 -3.057 10.112 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.923 -1.043 9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.045 -3.653 11.563 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.913 -2.361 11.911 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.940 -2.083 11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.921 -2.342 13.389 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.717 -0.219 12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.713 0.037 11.498 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.442 -0.320 13.742 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.066 1.958 12.459 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.825 3.358 13.223 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.408 1.484 14.719 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.708 3.091 14.496 1.00 0.00 H new ATOM 485 N SER A 30 -1.717 -4.009 9.177 1.00 0.00 N ATOM 486 CA SER A 30 -0.623 -4.680 8.483 1.00 0.00 C ATOM 487 C SER A 30 -0.416 -4.103 7.083 1.00 0.00 C ATOM 488 O SER A 30 0.708 -3.768 6.708 1.00 0.00 O ATOM 489 CB SER A 30 -0.894 -6.182 8.408 1.00 0.00 C ATOM 490 OG SER A 30 -2.196 -6.441 7.921 1.00 0.00 O ATOM 0 H SER A 30 -2.428 -4.639 9.547 1.00 0.00 H new ATOM 0 HA SER A 30 0.293 -4.512 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.158 -6.655 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.777 -6.625 9.397 1.00 0.00 H new ATOM 0 HG SER A 30 -2.710 -5.607 7.903 1.00 0.00 H new ATOM 496 N PHE A 31 -1.501 -3.976 6.319 1.00 0.00 N ATOM 497 CA PHE A 31 -1.425 -3.421 4.969 1.00 0.00 C ATOM 498 C PHE A 31 -0.683 -2.089 4.982 1.00 0.00 C ATOM 499 O PHE A 31 0.180 -1.838 4.140 1.00 0.00 O ATOM 500 CB PHE A 31 -2.829 -3.219 4.393 1.00 0.00 C ATOM 501 CG PHE A 31 -2.849 -2.401 3.130 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.321 -2.901 1.952 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.388 -1.123 3.130 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.334 -2.145 0.794 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.404 -0.364 1.976 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.876 -0.876 0.807 1.00 0.00 C ATOM 0 H PHE A 31 -2.439 -4.249 6.611 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.881 -4.127 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.274 -4.193 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.453 -2.732 5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.894 -3.893 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.800 -0.717 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.921 -2.547 -0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.829 0.629 1.988 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.887 -0.284 -0.096 1.00 0.00 H new ATOM 516 N LEU A 32 -1.026 -1.239 5.944 1.00 0.00 N ATOM 517 CA LEU A 32 -0.392 0.066 6.070 1.00 0.00 C ATOM 518 C LEU A 32 1.095 -0.094 6.359 1.00 0.00 C ATOM 519 O LEU A 32 1.935 0.511 5.692 1.00 0.00 O ATOM 520 CB LEU A 32 -1.063 0.871 7.183 1.00 0.00 C ATOM 521 CG LEU A 32 -2.579 1.018 7.047 1.00 0.00 C ATOM 522 CD1 LEU A 32 -3.147 1.823 8.203 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.930 1.667 5.720 1.00 0.00 C ATOM 0 H LEU A 32 -1.739 -1.431 6.647 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.507 0.603 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.843 0.395 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.617 1.865 7.212 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.025 0.024 7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.227 1.915 8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.926 1.317 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.697 2.816 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.012 1.765 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.471 2.654 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.559 1.048 4.903 1.00 0.00 H new ATOM 535 N GLU A 33 1.408 -0.930 7.346 1.00 0.00 N ATOM 536 CA GLU A 33 2.791 -1.191 7.726 1.00 0.00 C ATOM 537 C GLU A 33 3.603 -1.624 6.515 1.00 0.00 C ATOM 538 O GLU A 33 4.801 -1.374 6.448 1.00 0.00 O ATOM 539 CB GLU A 33 2.852 -2.269 8.811 1.00 0.00 C ATOM 540 CG GLU A 33 2.125 -1.890 10.092 1.00 0.00 C ATOM 541 CD GLU A 33 2.740 -0.690 10.789 1.00 0.00 C ATOM 542 OE1 GLU A 33 2.751 0.408 10.191 1.00 0.00 O ATOM 543 OE2 GLU A 33 3.212 -0.847 11.934 1.00 0.00 O ATOM 0 H GLU A 33 0.718 -1.439 7.898 1.00 0.00 H new ATOM 0 HA GLU A 33 3.218 -0.269 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.422 -3.191 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.896 -2.478 9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.082 -1.674 9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.131 -2.741 10.773 1.00 0.00 H new ATOM 550 N ILE A 34 2.941 -2.263 5.554 1.00 0.00 N ATOM 551 CA ILE A 34 3.610 -2.706 4.340 1.00 0.00 C ATOM 552 C ILE A 34 4.179 -1.509 3.588 1.00 0.00 C ATOM 553 O ILE A 34 5.354 -1.488 3.222 1.00 0.00 O ATOM 554 CB ILE A 34 2.648 -3.473 3.424 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.151 -4.724 4.143 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.334 -3.838 2.114 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.119 -5.489 3.360 1.00 0.00 C ATOM 0 H ILE A 34 1.946 -2.484 5.594 1.00 0.00 H new ATOM 0 HA ILE A 34 4.420 -3.375 4.631 1.00 0.00 H new ATOM 0 HB ILE A 34 1.794 -2.838 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.999 -5.377 4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.728 -4.438 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.636 -4.382 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.656 -2.929 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.201 -4.465 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.808 -6.366 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.255 -4.851 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.545 -5.805 2.408 1.00 0.00 H new ATOM 569 N LEU A 35 3.336 -0.497 3.391 1.00 0.00 N ATOM 570 CA LEU A 35 3.753 0.722 2.713 1.00 0.00 C ATOM 571 C LEU A 35 4.787 1.441 3.572 1.00 0.00 C ATOM 572 O LEU A 35 5.797 1.947 3.077 1.00 0.00 O ATOM 573 CB LEU A 35 2.540 1.622 2.457 1.00 0.00 C ATOM 574 CG LEU A 35 1.431 0.987 1.609 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.174 1.843 1.633 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.904 0.784 0.177 1.00 0.00 C ATOM 0 H LEU A 35 2.361 -0.500 3.692 1.00 0.00 H new ATOM 0 HA LEU A 35 4.200 0.474 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.118 1.919 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.879 2.532 1.962 1.00 0.00 H new ATOM 0 HG LEU A 35 1.192 0.014 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.598 1.372 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.181 1.940 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.399 2.831 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.104 0.333 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.174 1.747 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.774 0.127 0.171 1.00 0.00 H new ATOM 588 N HIS A 36 4.529 1.448 4.876 1.00 0.00 N ATOM 589 CA HIS A 36 5.426 2.065 5.839 1.00 0.00 C ATOM 590 C HIS A 36 6.794 1.397 5.787 1.00 0.00 C ATOM 591 O HIS A 36 7.827 2.060 5.875 1.00 0.00 O ATOM 592 CB HIS A 36 4.835 1.965 7.247 1.00 0.00 C ATOM 593 CG HIS A 36 4.376 3.281 7.786 1.00 0.00 C ATOM 594 ND1 HIS A 36 5.198 4.384 7.868 1.00 0.00 N ATOM 595 CD2 HIS A 36 3.174 3.671 8.268 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.520 5.397 8.376 1.00 0.00 C ATOM 597 NE2 HIS A 36 3.289 4.990 8.627 1.00 0.00 N ATOM 0 H HIS A 36 3.697 1.028 5.290 1.00 0.00 H new ATOM 0 HA HIS A 36 5.545 3.118 5.585 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.994 1.272 7.233 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.583 1.545 7.919 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.289 3.058 8.354 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.906 6.389 8.556 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.544 5.563 9.024 1.00 0.00 H new ATOM 606 N THR A 37 6.785 0.078 5.619 1.00 0.00 N ATOM 607 CA THR A 37 8.015 -0.694 5.527 1.00 0.00 C ATOM 608 C THR A 37 8.824 -0.224 4.330 1.00 0.00 C ATOM 609 O THR A 37 10.053 -0.154 4.383 1.00 0.00 O ATOM 610 CB THR A 37 7.725 -2.203 5.395 1.00 0.00 C ATOM 611 OG1 THR A 37 7.041 -2.675 6.562 1.00 0.00 O ATOM 612 CG2 THR A 37 9.009 -2.997 5.205 1.00 0.00 C ATOM 0 H THR A 37 5.934 -0.479 5.544 1.00 0.00 H new ATOM 0 HA THR A 37 8.582 -0.537 6.445 1.00 0.00 H new ATOM 0 HB THR A 37 7.096 -2.347 4.516 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.171 -2.230 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.771 -4.057 5.115 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.514 -2.660 4.300 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.662 -2.843 6.064 1.00 0.00 H new ATOM 939 N GLU A 57 8.185 -6.073 -3.322 1.00 0.00 N ATOM 940 CA GLU A 57 7.990 -6.521 -1.946 1.00 0.00 C ATOM 941 C GLU A 57 6.661 -6.025 -1.388 1.00 0.00 C ATOM 942 O GLU A 57 5.900 -6.796 -0.804 1.00 0.00 O ATOM 943 CB GLU A 57 9.146 -6.058 -1.057 1.00 0.00 C ATOM 944 CG GLU A 57 8.953 -6.392 0.415 1.00 0.00 C ATOM 945 CD GLU A 57 10.235 -6.266 1.218 1.00 0.00 C ATOM 946 OE1 GLU A 57 11.295 -6.011 0.608 1.00 0.00 O ATOM 947 OE2 GLU A 57 10.179 -6.432 2.453 1.00 0.00 O ATOM 0 HA GLU A 57 7.970 -7.611 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.070 -6.518 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.266 -4.980 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.198 -5.729 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.571 -7.409 0.505 1.00 0.00 H new ATOM 954 N VAL A 58 6.383 -4.738 -1.574 1.00 0.00 N ATOM 955 CA VAL A 58 5.138 -4.153 -1.091 1.00 0.00 C ATOM 956 C VAL A 58 3.938 -4.880 -1.690 1.00 0.00 C ATOM 957 O VAL A 58 2.968 -5.179 -0.996 1.00 0.00 O ATOM 958 CB VAL A 58 5.047 -2.654 -1.439 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.738 -2.064 -0.936 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.235 -1.900 -0.862 1.00 0.00 C ATOM 0 H VAL A 58 7.001 -4.083 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 58 5.128 -4.261 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 58 5.070 -2.551 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.694 -1.005 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.901 -2.585 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.680 -2.178 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.154 -0.843 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.245 -2.011 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.159 -2.304 -1.277 1.00 0.00 H new ATOM 970 N PHE A 59 4.023 -5.164 -2.985 1.00 0.00 N ATOM 971 CA PHE A 59 2.959 -5.861 -3.696 1.00 0.00 C ATOM 972 C PHE A 59 2.756 -7.264 -3.134 1.00 0.00 C ATOM 973 O PHE A 59 1.627 -7.738 -3.011 1.00 0.00 O ATOM 974 CB PHE A 59 3.286 -5.936 -5.192 1.00 0.00 C ATOM 975 CG PHE A 59 2.275 -6.696 -6.006 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.921 -6.415 -5.902 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.683 -7.690 -6.882 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.005 -7.112 -6.654 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.760 -8.390 -7.635 1.00 0.00 C ATOM 980 CZ PHE A 59 0.414 -8.102 -7.521 1.00 0.00 C ATOM 0 H PHE A 59 4.824 -4.920 -3.567 1.00 0.00 H new ATOM 0 HA PHE A 59 2.034 -5.301 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.366 -4.923 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.262 -6.405 -5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.587 -5.642 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.734 -7.920 -6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.057 -6.883 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.091 -9.163 -8.313 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.309 -8.649 -8.108 1.00 0.00 H new ATOM 990 N THR A 60 3.859 -7.925 -2.801 1.00 0.00 N ATOM 991 CA THR A 60 3.806 -9.277 -2.261 1.00 0.00 C ATOM 992 C THR A 60 3.139 -9.310 -0.887 1.00 0.00 C ATOM 993 O THR A 60 2.242 -10.115 -0.648 1.00 0.00 O ATOM 994 CB THR A 60 5.215 -9.891 -2.155 1.00 0.00 C ATOM 995 OG1 THR A 60 5.837 -9.914 -3.446 1.00 0.00 O ATOM 996 CG2 THR A 60 5.154 -11.304 -1.595 1.00 0.00 C ATOM 0 H THR A 60 4.801 -7.546 -2.896 1.00 0.00 H new ATOM 0 HA THR A 60 3.208 -9.867 -2.955 1.00 0.00 H new ATOM 0 HB THR A 60 5.803 -9.274 -1.476 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.733 -10.304 -3.371 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.162 -11.714 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.707 -11.282 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.549 -11.930 -2.251 1.00 0.00 H new ATOM 1004 N GLU A 61 3.584 -8.434 0.009 1.00 0.00 N ATOM 1005 CA GLU A 61 3.035 -8.365 1.360 1.00 0.00 C ATOM 1006 C GLU A 61 1.530 -8.118 1.327 1.00 0.00 C ATOM 1007 O GLU A 61 0.770 -8.776 2.037 1.00 0.00 O ATOM 1008 CB GLU A 61 3.733 -7.261 2.157 1.00 0.00 C ATOM 1009 CG GLU A 61 5.233 -7.468 2.298 1.00 0.00 C ATOM 1010 CD GLU A 61 5.579 -8.737 3.053 1.00 0.00 C ATOM 1011 OE1 GLU A 61 5.188 -8.850 4.233 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.241 -9.617 2.463 1.00 0.00 O ATOM 0 H GLU A 61 4.326 -7.759 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 61 3.212 -9.323 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.551 -6.303 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.287 -7.204 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.686 -7.505 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.667 -6.612 2.815 1.00 0.00 H new ATOM 1019 N VAL A 62 1.104 -7.177 0.489 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.313 -6.862 0.360 1.00 0.00 C ATOM 1021 C VAL A 62 -1.066 -8.062 -0.200 1.00 0.00 C ATOM 1022 O VAL A 62 -2.162 -8.386 0.252 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.544 -5.645 -0.557 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -2.031 -5.349 -0.694 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.198 -4.430 -0.022 1.00 0.00 C ATOM 0 H VAL A 62 1.718 -6.622 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.686 -6.618 1.355 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.152 -5.880 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.172 -4.486 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.536 -6.214 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.451 -5.134 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.025 -3.579 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.164 -4.194 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.266 -4.645 0.020 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.456 -8.728 -1.177 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.056 -9.907 -1.788 1.00 0.00 C ATOM 1037 C ALA A 63 -1.236 -11.003 -0.745 1.00 0.00 C ATOM 1038 O ALA A 63 -2.266 -11.677 -0.701 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.193 -10.404 -2.938 1.00 0.00 C ATOM 0 H ALA A 63 0.453 -8.470 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.035 -9.638 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.654 -11.285 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.103 -9.621 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.798 -10.663 -2.564 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.222 -11.159 0.101 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.245 -12.154 1.166 1.00 0.00 C ATOM 1047 C ASN A 64 -1.384 -11.869 2.140 1.00 0.00 C ATOM 1048 O ASN A 64 -2.082 -12.783 2.581 1.00 0.00 O ATOM 1049 CB ASN A 64 1.099 -12.163 1.904 1.00 0.00 C ATOM 1050 CG ASN A 64 2.220 -12.754 1.068 1.00 0.00 C ATOM 1051 OD1 ASN A 64 3.309 -12.004 0.911 1.00 0.00 O flip ATOM 1052 ND2 ASN A 64 2.115 -13.878 0.577 1.00 0.00 N flip ATOM 0 H ASN A 64 0.633 -10.603 0.068 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.411 -13.136 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.361 -11.143 2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.999 -12.734 2.827 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.263 -14.420 0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.880 -14.267 0.026 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.567 -10.593 2.461 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.620 -10.165 3.371 1.00 0.00 C ATOM 1061 C LEU A 65 -3.997 -10.376 2.765 1.00 0.00 C ATOM 1062 O LEU A 65 -4.803 -11.162 3.267 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.446 -8.686 3.683 1.00 0.00 C ATOM 1064 CG LEU A 65 -1.780 -8.366 5.013 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.514 -6.875 5.101 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -2.656 -8.827 6.168 1.00 0.00 C ATOM 0 H LEU A 65 -0.993 -9.831 2.100 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.544 -10.763 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.859 -8.232 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.427 -8.212 3.666 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.831 -8.898 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.037 -6.646 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.857 -6.574 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.456 -6.332 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.166 -8.591 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.618 -8.317 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.812 -9.904 6.099 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.259 -9.642 1.692 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.538 -9.702 0.995 1.00 0.00 C ATOM 1080 C PHE A 66 -5.683 -10.995 0.194 1.00 0.00 C ATOM 1081 O PHE A 66 -6.224 -10.987 -0.911 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.670 -8.503 0.051 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.669 -7.152 0.726 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.470 -7.022 2.096 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.881 -6.006 -0.025 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.480 -5.777 2.696 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.892 -4.760 0.572 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.691 -4.645 1.934 1.00 0.00 C ATOM 0 H PHE A 66 -3.592 -8.989 1.280 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.327 -9.677 1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.850 -8.534 -0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.595 -8.607 -0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.306 -7.904 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.040 -6.088 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.323 -5.690 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.058 -3.876 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.699 -3.672 2.402 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.210 -12.106 0.752 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.308 -13.391 0.074 1.00 0.00 C ATOM 1100 C ARG A 67 -6.768 -13.720 -0.213 1.00 0.00 C ATOM 1101 O ARG A 67 -7.627 -13.579 0.658 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.665 -14.493 0.923 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.714 -15.870 0.279 1.00 0.00 C ATOM 1104 CD ARG A 67 -3.949 -15.902 -1.035 1.00 0.00 C ATOM 1105 NE ARG A 67 -3.989 -17.222 -1.663 1.00 0.00 N ATOM 1106 CZ ARG A 67 -3.454 -18.316 -1.124 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -2.817 -18.250 0.038 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -3.550 -19.479 -1.754 1.00 0.00 N ATOM 0 H ARG A 67 -4.758 -12.141 1.666 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.771 -13.331 -0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.625 -14.229 1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.169 -14.535 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.294 -16.607 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.752 -16.153 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.370 -15.164 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.912 -15.617 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.454 -17.310 -2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.735 -17.357 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.410 -19.092 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.033 -19.535 -2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.141 -20.317 -1.342 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.047 -14.137 -1.444 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.411 -14.454 -1.827 1.00 0.00 C ATOM 1124 C GLY A 68 -9.187 -13.212 -2.228 1.00 0.00 C ATOM 1125 O GLY A 68 -9.912 -13.220 -3.222 1.00 0.00 O ATOM 0 H GLY A 68 -6.354 -14.261 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.401 -15.160 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.917 -14.946 -0.996 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.027 -12.142 -1.451 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.703 -10.880 -1.722 1.00 0.00 C ATOM 1131 C GLN A 69 -8.972 -10.103 -2.816 1.00 0.00 C ATOM 1132 O GLN A 69 -8.640 -8.929 -2.642 1.00 0.00 O ATOM 1133 CB GLN A 69 -9.785 -10.032 -0.450 1.00 0.00 C ATOM 1134 CG GLN A 69 -10.713 -10.590 0.620 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.220 -11.888 1.235 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -10.204 -12.934 0.588 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -9.814 -11.823 2.498 1.00 0.00 N ATOM 0 H GLN A 69 -8.430 -12.127 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.714 -11.103 -2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.784 -9.932 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.120 -9.030 -0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.833 -9.847 1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.698 -10.755 0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.844 -10.935 2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.472 -12.661 2.968 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.709 -10.771 -3.934 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.000 -10.156 -5.053 1.00 0.00 C ATOM 1148 C GLU A 70 -8.762 -8.963 -5.629 1.00 0.00 C ATOM 1149 O GLU A 70 -8.263 -8.281 -6.524 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.757 -11.193 -6.151 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.948 -12.392 -5.685 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.719 -13.409 -6.788 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -7.202 -13.181 -7.918 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -6.056 -14.433 -6.523 1.00 0.00 O ATOM 0 H GLU A 70 -8.977 -11.743 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.047 -9.788 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.718 -11.539 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.238 -10.716 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.985 -12.050 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.465 -12.873 -4.855 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.965 -8.707 -5.118 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.767 -7.586 -5.596 1.00 0.00 C ATOM 1163 C ASP A 71 -10.037 -6.274 -5.339 1.00 0.00 C ATOM 1164 O ASP A 71 -9.870 -5.454 -6.243 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.131 -7.576 -4.911 1.00 0.00 C ATOM 1166 CG ASP A 71 -13.028 -6.455 -5.403 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -12.605 -5.704 -6.308 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -14.158 -6.330 -4.885 1.00 0.00 O ATOM 0 H ASP A 71 -10.402 -9.257 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.921 -7.699 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.625 -8.532 -5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.991 -7.477 -3.835 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.589 -6.096 -4.103 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.855 -4.900 -3.715 1.00 0.00 C ATOM 1175 C LEU A 72 -7.473 -4.908 -4.353 1.00 0.00 C ATOM 1176 O LEU A 72 -6.949 -3.867 -4.752 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.725 -4.833 -2.193 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.053 -4.767 -1.440 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.823 -4.904 0.058 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.773 -3.462 -1.750 1.00 0.00 C ATOM 0 H LEU A 72 -9.723 -6.769 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.402 -4.023 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.172 -5.708 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.131 -3.958 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.679 -5.596 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.779 -4.855 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.345 -5.861 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.180 -4.094 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.717 -3.429 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.150 -2.621 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.968 -3.400 -2.821 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.898 -6.102 -4.447 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.593 -6.292 -5.029 1.00 0.00 C ATOM 1194 C LEU A 73 -5.543 -5.712 -6.434 1.00 0.00 C ATOM 1195 O LEU A 73 -4.559 -5.087 -6.830 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.303 -7.785 -5.073 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.003 -8.231 -4.402 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.857 -7.293 -4.739 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.198 -8.317 -2.902 1.00 0.00 C ATOM 0 H LEU A 73 -7.334 -6.963 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.844 -5.778 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.133 -8.311 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.278 -8.100 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.743 -9.218 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.948 -7.638 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.703 -7.280 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.097 -6.287 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.268 -8.635 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.484 -7.339 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.983 -9.039 -2.678 1.00 0.00 H new ATOM 1211 N SER A 74 -6.621 -5.926 -7.178 1.00 0.00 N ATOM 1212 CA SER A 74 -6.727 -5.432 -8.542 1.00 0.00 C ATOM 1213 C SER A 74 -6.522 -3.923 -8.582 1.00 0.00 C ATOM 1214 O SER A 74 -5.864 -3.399 -9.480 1.00 0.00 O ATOM 1215 CB SER A 74 -8.095 -5.791 -9.118 1.00 0.00 C ATOM 1216 OG SER A 74 -8.202 -5.390 -10.474 1.00 0.00 O ATOM 0 H SER A 74 -7.439 -6.443 -6.855 1.00 0.00 H new ATOM 0 HA SER A 74 -5.950 -5.901 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.254 -6.867 -9.041 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.877 -5.310 -8.531 1.00 0.00 H new ATOM 0 HG SER A 74 -9.087 -5.633 -10.818 1.00 0.00 H new ATOM 1222 N GLU A 75 -7.087 -3.229 -7.596 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.958 -1.781 -7.515 1.00 0.00 C ATOM 1224 C GLU A 75 -5.542 -1.378 -7.126 1.00 0.00 C ATOM 1225 O GLU A 75 -5.001 -0.402 -7.642 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.967 -1.210 -6.527 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.398 -1.311 -7.021 1.00 0.00 C ATOM 1228 CD GLU A 75 -9.642 -0.529 -8.301 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -8.709 0.157 -8.771 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.772 -0.596 -8.829 1.00 0.00 O ATOM 0 H GLU A 75 -7.637 -3.647 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.166 -1.368 -8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.877 -1.738 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.727 -0.164 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.645 -2.359 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.071 -0.946 -6.245 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.942 -2.140 -6.216 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.582 -1.864 -5.767 1.00 0.00 C ATOM 1239 C PHE A 76 -2.625 -1.865 -6.953 1.00 0.00 C ATOM 1240 O PHE A 76 -1.757 -1.000 -7.068 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.139 -2.904 -4.735 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.794 -2.622 -4.122 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.436 -1.331 -3.760 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.890 -3.650 -3.902 1.00 0.00 C ATOM 1245 CE1 PHE A 76 -0.202 -1.072 -3.194 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.345 -3.396 -3.335 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.688 -2.105 -2.980 1.00 0.00 C ATOM 0 H PHE A 76 -5.376 -2.952 -5.776 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.565 -0.879 -5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.885 -2.955 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.112 -3.884 -5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.130 -0.519 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.154 -4.661 -4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.066 -0.062 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.041 -4.205 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.652 -1.905 -2.535 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.800 -2.845 -7.833 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.959 -2.953 -9.010 1.00 0.00 C ATOM 1259 C GLY A 77 -2.091 -1.751 -9.926 1.00 0.00 C ATOM 1260 O GLY A 77 -1.136 -1.376 -10.607 1.00 0.00 O ATOM 0 H GLY A 77 -3.513 -3.570 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.919 -3.059 -8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.222 -3.856 -9.560 1.00 0.00 H new ATOM 1423 N ILE B 2 3.345 4.896 -4.490 1.00 0.00 N ATOM 1424 CA ILE B 2 3.154 4.322 -3.163 1.00 0.00 C ATOM 1425 C ILE B 2 3.000 5.414 -2.111 1.00 0.00 C ATOM 1426 O ILE B 2 2.188 5.294 -1.195 1.00 0.00 O ATOM 1427 CB ILE B 2 4.325 3.396 -2.768 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.392 2.189 -3.708 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.188 2.943 -1.321 1.00 0.00 C ATOM 1430 CD1 ILE B 2 3.121 1.365 -3.734 1.00 0.00 C ATOM 0 HA ILE B 2 2.240 3.730 -3.205 1.00 0.00 H new ATOM 0 HB ILE B 2 5.254 3.958 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.609 2.538 -4.718 1.00 0.00 H new ATOM 0 HG13 ILE B 2 5.222 1.550 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.023 2.292 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.191 3.814 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.252 2.399 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE B 2 3.244 0.528 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.913 0.985 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.290 1.988 -4.066 1.00 0.00 H new ATOM 1442 N GLN B 3 3.782 6.480 -2.251 1.00 0.00 N ATOM 1443 CA GLN B 3 3.732 7.594 -1.313 1.00 0.00 C ATOM 1444 C GLN B 3 2.312 8.139 -1.206 1.00 0.00 C ATOM 1445 O GLN B 3 1.885 8.584 -0.143 1.00 0.00 O ATOM 1446 CB GLN B 3 4.701 8.700 -1.748 1.00 0.00 C ATOM 1447 CG GLN B 3 4.412 9.272 -3.130 1.00 0.00 C ATOM 1448 CD GLN B 3 3.313 10.323 -3.131 1.00 0.00 C ATOM 1449 OE1 GLN B 3 2.904 10.770 -1.947 1.00 0.00 O flip ATOM 1450 NE2 GLN B 3 2.849 10.744 -4.191 1.00 0.00 N flip ATOM 0 H GLN B 3 4.458 6.595 -3.006 1.00 0.00 H new ATOM 0 HA GLN B 3 4.036 7.234 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN B 3 4.665 9.508 -1.017 1.00 0.00 H new ATOM 0 HB3 GLN B 3 5.717 8.304 -1.735 1.00 0.00 H new ATOM 0 HG2 GLN B 3 5.325 9.712 -3.531 1.00 0.00 H new ATOM 0 HG3 GLN B 3 4.128 8.460 -3.799 1.00 0.00 H new ATOM 0 HE21 GLN B 3 3.190 10.375 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN B 3 2.124 11.461 -4.181 1.00 0.00 H new ATOM 1459 N MET B 4 1.590 8.103 -2.321 1.00 0.00 N ATOM 1460 CA MET B 4 0.219 8.597 -2.366 1.00 0.00 C ATOM 1461 C MET B 4 -0.693 7.784 -1.449 1.00 0.00 C ATOM 1462 O MET B 4 -1.436 8.347 -0.645 1.00 0.00 O ATOM 1463 CB MET B 4 -0.309 8.544 -3.802 1.00 0.00 C ATOM 1464 CG MET B 4 -1.704 9.124 -3.965 1.00 0.00 C ATOM 1465 SD MET B 4 -2.336 8.949 -5.645 1.00 0.00 S ATOM 1466 CE MET B 4 -1.078 9.819 -6.575 1.00 0.00 C ATOM 0 H MET B 4 1.933 7.735 -3.208 1.00 0.00 H new ATOM 0 HA MET B 4 0.221 9.629 -2.016 1.00 0.00 H new ATOM 0 HB2 MET B 4 0.378 9.086 -4.452 1.00 0.00 H new ATOM 0 HB3 MET B 4 -0.315 7.507 -4.139 1.00 0.00 H new ATOM 0 HG2 MET B 4 -2.383 8.628 -3.272 1.00 0.00 H new ATOM 0 HG3 MET B 4 -1.688 10.180 -3.695 1.00 0.00 H new ATOM 0 HE1 MET B 4 -1.461 10.062 -7.566 1.00 0.00 H new ATOM 0 HE2 MET B 4 -0.811 10.738 -6.054 1.00 0.00 H new ATOM 0 HE3 MET B 4 -0.195 9.187 -6.672 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.636 6.459 -1.574 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.464 5.578 -0.752 1.00 0.00 C ATOM 1478 C LEU B 5 -1.024 5.621 0.707 1.00 0.00 C ATOM 1479 O LEU B 5 -1.850 5.746 1.612 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.406 4.139 -1.275 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.907 3.948 -2.710 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.901 2.475 -3.085 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.303 4.531 -2.872 1.00 0.00 C ATOM 0 H LEU B 5 -0.028 5.974 -2.234 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.493 5.933 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.375 3.789 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.996 3.504 -0.613 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.232 4.479 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.260 2.358 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.886 2.085 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.553 1.924 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.641 4.385 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.988 4.029 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.281 5.597 -2.645 1.00 0.00 H new ATOM 1495 N LEU B 6 0.282 5.519 0.926 1.00 0.00 N ATOM 1496 CA LEU B 6 0.843 5.552 2.271 1.00 0.00 C ATOM 1497 C LEU B 6 0.437 6.834 2.989 1.00 0.00 C ATOM 1498 O LEU B 6 0.042 6.809 4.154 1.00 0.00 O ATOM 1499 CB LEU B 6 2.368 5.444 2.200 1.00 0.00 C ATOM 1500 CG LEU B 6 3.103 5.561 3.536 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.688 4.450 4.486 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.604 5.534 3.310 1.00 0.00 C ATOM 0 H LEU B 6 0.975 5.412 0.185 1.00 0.00 H new ATOM 0 HA LEU B 6 0.452 4.705 2.835 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.626 4.487 1.747 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.739 6.222 1.533 1.00 0.00 H new ATOM 0 HG LEU B 6 2.832 6.512 3.994 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.226 4.557 5.428 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.616 4.511 4.671 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.925 3.483 4.041 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.118 5.618 4.268 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.883 4.596 2.830 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.891 6.369 2.670 1.00 0.00 H new ATOM 1514 N GLU B 7 0.531 7.952 2.277 1.00 0.00 N ATOM 1515 CA GLU B 7 0.167 9.249 2.831 1.00 0.00 C ATOM 1516 C GLU B 7 -1.338 9.329 3.067 1.00 0.00 C ATOM 1517 O GLU B 7 -1.794 9.878 4.070 1.00 0.00 O ATOM 1518 CB GLU B 7 0.610 10.371 1.887 1.00 0.00 C ATOM 1519 CG GLU B 7 0.276 11.765 2.396 1.00 0.00 C ATOM 1520 CD GLU B 7 1.006 12.116 3.681 1.00 0.00 C ATOM 1521 OE1 GLU B 7 1.817 11.290 4.151 1.00 0.00 O ATOM 1522 OE2 GLU B 7 0.771 13.222 4.212 1.00 0.00 O ATOM 0 H GLU B 7 0.858 7.985 1.311 1.00 0.00 H new ATOM 0 HA GLU B 7 0.675 9.369 3.788 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.686 10.299 1.731 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.137 10.225 0.916 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.529 12.497 1.629 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.799 11.837 2.563 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.100 8.774 2.130 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.555 8.771 2.219 1.00 0.00 C ATOM 1531 C ALA B 8 -4.026 8.097 3.502 1.00 0.00 C ATOM 1532 O ALA B 8 -4.968 8.555 4.145 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.153 8.074 1.007 1.00 0.00 C ATOM 0 H ALA B 8 -1.731 8.318 1.296 1.00 0.00 H new ATOM 0 HA ALA B 8 -3.896 9.806 2.238 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.240 8.078 1.085 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -3.852 8.599 0.100 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.796 7.045 0.966 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.365 7.003 3.864 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.714 6.259 5.069 1.00 0.00 C ATOM 1541 C ALA B 9 -3.539 7.116 6.319 1.00 0.00 C ATOM 1542 O ALA B 9 -4.361 7.068 7.233 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.870 5.000 5.171 1.00 0.00 C ATOM 0 H ALA B 9 -2.583 6.611 3.339 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.765 5.978 4.999 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.140 4.453 6.075 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.049 4.371 4.299 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.815 5.271 5.213 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.464 7.900 6.356 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.188 8.766 7.498 1.00 0.00 C ATOM 1551 C ASP B 10 -3.279 9.822 7.640 1.00 0.00 C ATOM 1552 O ASP B 10 -3.766 10.080 8.739 1.00 0.00 O ATOM 1553 CB ASP B 10 -0.820 9.436 7.340 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.432 10.271 8.547 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.208 10.302 9.527 1.00 0.00 O ATOM 1556 OD2 ASP B 10 0.651 10.893 8.515 1.00 0.00 O ATOM 0 H ASP B 10 -1.771 7.953 5.609 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.175 8.155 8.400 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.062 8.670 7.175 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.831 10.070 6.453 1.00 0.00 H new ATOM 1561 N TYR B 11 -3.664 10.417 6.518 1.00 0.00 N ATOM 1562 CA TYR B 11 -4.710 11.434 6.505 1.00 0.00 C ATOM 1563 C TYR B 11 -6.044 10.842 6.937 1.00 0.00 C ATOM 1564 O TYR B 11 -6.666 11.293 7.899 1.00 0.00 O ATOM 1565 CB TYR B 11 -4.857 12.008 5.096 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.087 12.867 4.922 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.105 14.184 5.359 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.231 12.360 4.314 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.227 14.973 5.198 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.357 13.143 4.148 1.00 0.00 C ATOM 1571 CZ TYR B 11 -8.350 14.449 4.592 1.00 0.00 C ATOM 1572 OH TYR B 11 -9.469 15.232 4.430 1.00 0.00 O ATOM 0 H TYR B 11 -3.266 10.212 5.601 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.426 12.222 7.203 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -3.973 12.600 4.859 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -4.892 11.187 4.379 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.227 14.599 5.833 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.239 11.338 3.966 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -7.225 15.996 5.545 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.237 12.735 3.674 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.170 14.712 3.985 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.474 9.836 6.192 1.00 0.00 N ATOM 1583 CA LEU B 12 -7.736 9.156 6.437 1.00 0.00 C ATOM 1584 C LEU B 12 -7.790 8.571 7.846 1.00 0.00 C ATOM 1585 O LEU B 12 -8.842 8.569 8.487 1.00 0.00 O ATOM 1586 CB LEU B 12 -7.913 8.051 5.397 1.00 0.00 C ATOM 1587 CG LEU B 12 -9.306 7.432 5.322 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -10.303 8.442 4.777 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -9.278 6.177 4.462 1.00 0.00 C ATOM 0 H LEU B 12 -5.954 9.466 5.396 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.547 9.879 6.353 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.662 8.456 4.417 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -7.194 7.259 5.609 1.00 0.00 H new ATOM 0 HG LEU B 12 -9.622 7.150 6.326 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -11.292 7.987 4.729 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -10.335 9.312 5.433 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.997 8.752 3.778 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.278 5.745 4.416 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -8.947 6.433 3.455 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -8.589 5.453 4.897 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.652 8.069 8.316 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.559 7.472 9.647 1.00 0.00 C ATOM 1603 C GLU B 13 -7.523 6.298 9.786 1.00 0.00 C ATOM 1604 O GLU B 13 -7.599 5.483 8.843 1.00 0.00 O ATOM 1605 CB GLU B 13 -6.842 8.520 10.729 1.00 0.00 C ATOM 1606 CG GLU B 13 -5.856 9.676 10.726 1.00 0.00 C ATOM 1607 CD GLU B 13 -6.131 10.683 11.827 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -6.090 10.291 13.013 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -6.386 11.861 11.503 1.00 0.00 O ATOM 1610 OXT GLU B 13 -8.193 6.201 10.837 1.00 0.00 O ATOM 0 H GLU B 13 -5.776 8.063 7.793 1.00 0.00 H new ATOM 0 HA GLU B 13 -5.543 7.100 9.778 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -7.849 8.912 10.589 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -6.820 8.037 11.706 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.845 9.286 10.840 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.896 10.180 9.760 1.00 0.00 H new