USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 454 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0304 (180deg=-0.235) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -140:sc= -1.3 USER MOD Single : A 28 SER OG : rot 44:sc= 1.04 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.026) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.04) USER MOD Single : A 66 TYR OH : rot -126:sc= 0.0291 USER MOD ----------------------------------------------------------------- ATOM 165 N LYS A 12 2.326 -8.127 3.131 1.00 0.00 N ATOM 166 CA LYS A 12 2.806 -8.175 4.507 1.00 0.00 C ATOM 167 C LYS A 12 1.777 -8.836 5.420 1.00 0.00 C ATOM 168 O LYS A 12 0.620 -9.015 5.039 1.00 0.00 O ATOM 169 CB LYS A 12 3.117 -6.764 5.010 1.00 0.00 C ATOM 170 CG LYS A 12 4.544 -6.321 4.736 1.00 0.00 C ATOM 171 CD LYS A 12 4.674 -4.808 4.765 1.00 0.00 C ATOM 172 CE LYS A 12 4.079 -4.173 3.517 1.00 0.00 C ATOM 173 NZ LYS A 12 5.074 -4.085 2.412 1.00 0.00 N ATOM 0 HA LYS A 12 3.719 -8.771 4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.430 -6.060 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.932 -6.721 6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.211 -6.759 5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.862 -6.696 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.171 -4.416 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.726 -4.534 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.220 -4.757 3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.713 -3.175 3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.630 -3.647 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.882 -3.507 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.405 -5.040 2.166 1.00 0.00 H new ATOM 187 N TYR A 13 2.206 -9.195 6.624 1.00 0.00 N ATOM 188 CA TYR A 13 1.322 -9.837 7.590 1.00 0.00 C ATOM 189 C TYR A 13 1.144 -8.964 8.829 1.00 0.00 C ATOM 190 O TYR A 13 1.973 -8.101 9.120 1.00 0.00 O ATOM 191 CB TYR A 13 1.878 -11.204 7.991 1.00 0.00 C ATOM 192 CG TYR A 13 2.004 -12.169 6.834 1.00 0.00 C ATOM 193 CD1 TYR A 13 3.027 -12.039 5.903 1.00 0.00 C ATOM 194 CD2 TYR A 13 1.099 -13.211 6.671 1.00 0.00 C ATOM 195 CE1 TYR A 13 3.146 -12.917 4.844 1.00 0.00 C ATOM 196 CE2 TYR A 13 1.211 -14.096 5.616 1.00 0.00 C ATOM 197 CZ TYR A 13 2.236 -13.945 4.705 1.00 0.00 C ATOM 198 OH TYR A 13 2.350 -14.823 3.652 1.00 0.00 O ATOM 0 H TYR A 13 3.160 -9.053 6.955 1.00 0.00 H new ATOM 0 HA TYR A 13 0.348 -9.972 7.120 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.858 -11.068 8.449 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.230 -11.642 8.750 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.742 -11.237 6.010 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.294 -13.331 7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.947 -12.800 4.129 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.500 -14.901 5.505 1.00 0.00 H new ATOM 0 HH TYR A 13 1.631 -15.487 3.701 1.00 0.00 H new ATOM 208 N VAL A 14 0.057 -9.197 9.557 1.00 0.00 N ATOM 209 CA VAL A 14 -0.231 -8.435 10.767 1.00 0.00 C ATOM 210 C VAL A 14 -0.818 -9.329 11.853 1.00 0.00 C ATOM 211 O VAL A 14 -1.627 -10.212 11.574 1.00 0.00 O ATOM 212 CB VAL A 14 -1.210 -7.280 10.483 1.00 0.00 C ATOM 213 CG1 VAL A 14 -1.790 -6.740 11.781 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.517 -6.175 9.699 1.00 0.00 C ATOM 0 H VAL A 14 -0.639 -9.907 9.330 1.00 0.00 H new ATOM 0 HA VAL A 14 0.716 -8.022 11.114 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.031 -7.664 9.878 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.479 -5.925 11.560 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.324 -7.536 12.300 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.983 -6.371 12.414 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.223 -5.367 9.507 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.324 -5.792 10.276 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.155 -6.573 8.751 1.00 0.00 H new ATOM 224 N GLY A 15 -0.405 -9.092 13.094 1.00 0.00 N ATOM 225 CA GLY A 15 -0.901 -9.884 14.205 1.00 0.00 C ATOM 226 C GLY A 15 -0.376 -9.399 15.542 1.00 0.00 C ATOM 227 O GLY A 15 -0.274 -8.194 15.778 1.00 0.00 O ATOM 0 H GLY A 15 0.264 -8.366 13.350 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.990 -9.852 14.212 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.614 -10.926 14.061 1.00 0.00 H new ATOM 231 N LEU A 16 -0.045 -10.338 16.421 1.00 0.00 N ATOM 232 CA LEU A 16 0.470 -10.000 17.744 1.00 0.00 C ATOM 233 C LEU A 16 -0.437 -8.991 18.440 1.00 0.00 C ATOM 234 O LEU A 16 -0.115 -7.805 18.521 1.00 0.00 O ATOM 235 CB LEU A 16 1.888 -9.437 17.632 1.00 0.00 C ATOM 236 CG LEU A 16 3.022 -10.463 17.658 1.00 0.00 C ATOM 237 CD1 LEU A 16 3.063 -11.179 18.999 1.00 0.00 C ATOM 238 CD2 LEU A 16 2.862 -11.463 16.522 1.00 0.00 C ATOM 0 H LEU A 16 -0.124 -11.339 16.242 1.00 0.00 H new ATOM 0 HA LEU A 16 0.494 -10.911 18.342 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.960 -8.869 16.704 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.043 -8.733 18.449 1.00 0.00 H new ATOM 0 HG LEU A 16 3.966 -9.936 17.522 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.876 -11.905 18.999 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.226 -10.452 19.795 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.117 -11.694 19.166 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.677 -12.186 16.556 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.911 -11.984 16.628 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.883 -10.936 15.568 1.00 0.00 H new ATOM 250 N TRP A 17 -1.569 -9.469 18.943 1.00 0.00 N ATOM 251 CA TRP A 17 -2.522 -8.608 19.634 1.00 0.00 C ATOM 252 C TRP A 17 -1.963 -8.146 20.976 1.00 0.00 C ATOM 253 O TRP A 17 -2.247 -8.742 22.015 1.00 0.00 O ATOM 254 CB TRP A 17 -3.846 -9.344 19.846 1.00 0.00 C ATOM 255 CG TRP A 17 -4.957 -8.449 20.305 1.00 0.00 C ATOM 256 CD1 TRP A 17 -5.400 -8.284 21.586 1.00 0.00 C ATOM 257 CD2 TRP A 17 -5.765 -7.597 19.485 1.00 0.00 C ATOM 258 NE1 TRP A 17 -6.436 -7.381 21.612 1.00 0.00 N ATOM 259 CE2 TRP A 17 -6.678 -6.945 20.337 1.00 0.00 C ATOM 260 CE3 TRP A 17 -5.806 -7.321 18.116 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -7.620 -6.036 19.861 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -6.741 -6.419 17.646 1.00 0.00 C ATOM 263 CH2 TRP A 17 -7.637 -5.784 18.516 1.00 0.00 C ATOM 0 H TRP A 17 -1.850 -10.448 18.885 1.00 0.00 H new ATOM 0 HA TRP A 17 -2.698 -7.730 19.012 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.139 -9.826 18.913 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.700 -10.136 20.581 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.996 -8.789 22.451 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.942 -7.084 22.446 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.119 -7.804 17.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.313 -5.547 20.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.782 -6.200 16.589 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.355 -5.082 18.118 1.00 0.00 H new ATOM 274 N ASP A 18 -1.170 -7.081 20.946 1.00 0.00 N ATOM 275 CA ASP A 18 -0.573 -6.538 22.160 1.00 0.00 C ATOM 276 C ASP A 18 0.135 -7.632 22.954 1.00 0.00 C ATOM 277 O ASP A 18 -0.207 -7.897 24.107 1.00 0.00 O ATOM 278 CB ASP A 18 -1.643 -5.873 23.027 1.00 0.00 C ATOM 279 CG ASP A 18 -1.063 -5.231 24.272 1.00 0.00 C ATOM 280 OD1 ASP A 18 -0.255 -4.289 24.133 1.00 0.00 O ATOM 281 OD2 ASP A 18 -1.419 -5.670 25.386 1.00 0.00 O ATOM 0 H ASP A 18 -0.926 -6.576 20.094 1.00 0.00 H new ATOM 0 HA ASP A 18 0.164 -5.790 21.869 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.163 -5.116 22.440 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.385 -6.617 23.317 1.00 0.00 H new ATOM 286 N PHE A 19 1.122 -8.264 22.329 1.00 0.00 N ATOM 287 CA PHE A 19 1.877 -9.331 22.976 1.00 0.00 C ATOM 288 C PHE A 19 3.370 -9.190 22.694 1.00 0.00 C ATOM 289 O PHE A 19 3.803 -9.228 21.542 1.00 0.00 O ATOM 290 CB PHE A 19 1.383 -10.698 22.496 1.00 0.00 C ATOM 291 CG PHE A 19 1.731 -11.822 23.429 1.00 0.00 C ATOM 292 CD1 PHE A 19 3.047 -12.225 23.590 1.00 0.00 C ATOM 293 CD2 PHE A 19 0.742 -12.476 24.146 1.00 0.00 C ATOM 294 CE1 PHE A 19 3.370 -13.260 24.447 1.00 0.00 C ATOM 295 CE2 PHE A 19 1.059 -13.512 25.005 1.00 0.00 C ATOM 296 CZ PHE A 19 2.374 -13.903 25.156 1.00 0.00 C ATOM 0 H PHE A 19 1.418 -8.056 21.375 1.00 0.00 H new ATOM 0 HA PHE A 19 1.719 -9.252 24.052 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.301 -10.661 22.372 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.810 -10.906 21.515 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.830 -11.724 23.039 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.288 -12.173 24.033 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.399 -13.566 24.562 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.279 -14.015 25.557 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.624 -14.711 25.828 1.00 0.00 H new ATOM 306 N LYS A 20 4.153 -9.025 23.754 1.00 0.00 N ATOM 307 CA LYS A 20 5.598 -8.878 23.624 1.00 0.00 C ATOM 308 C LYS A 20 6.329 -9.815 24.580 1.00 0.00 C ATOM 309 O LYS A 20 5.937 -9.966 25.737 1.00 0.00 O ATOM 310 CB LYS A 20 6.011 -7.430 23.897 1.00 0.00 C ATOM 311 CG LYS A 20 5.055 -6.688 24.815 1.00 0.00 C ATOM 312 CD LYS A 20 3.948 -6.003 24.031 1.00 0.00 C ATOM 313 CE LYS A 20 4.392 -4.644 23.512 1.00 0.00 C ATOM 314 NZ LYS A 20 4.535 -3.649 24.611 1.00 0.00 N ATOM 0 H LYS A 20 3.811 -8.990 24.714 1.00 0.00 H new ATOM 0 HA LYS A 20 5.874 -9.142 22.603 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.007 -7.422 24.340 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.080 -6.896 22.949 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.618 -7.387 25.528 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.606 -5.946 25.393 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.650 -6.634 23.194 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.071 -5.882 24.667 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.343 -4.748 22.990 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.667 -4.279 22.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.519 -2.688 24.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.749 -3.759 25.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.437 -3.804 25.105 1.00 0.00 H new ATOM 328 N SER A 21 7.394 -10.441 24.088 1.00 0.00 N ATOM 329 CA SER A 21 8.178 -11.366 24.899 1.00 0.00 C ATOM 330 C SER A 21 9.616 -10.875 25.044 1.00 0.00 C ATOM 331 O SER A 21 9.957 -9.780 24.599 1.00 0.00 O ATOM 332 CB SER A 21 8.165 -12.762 24.274 1.00 0.00 C ATOM 333 OG SER A 21 8.123 -13.767 25.273 1.00 0.00 O ATOM 0 H SER A 21 7.733 -10.325 23.133 1.00 0.00 H new ATOM 0 HA SER A 21 7.727 -11.415 25.890 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.301 -12.862 23.617 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.053 -12.896 23.656 1.00 0.00 H new ATOM 0 HG SER A 21 8.114 -14.650 24.848 1.00 0.00 H new ATOM 339 N ARG A 22 10.453 -11.695 25.672 1.00 0.00 N ATOM 340 CA ARG A 22 11.853 -11.345 25.878 1.00 0.00 C ATOM 341 C ARG A 22 12.772 -12.423 25.311 1.00 0.00 C ATOM 342 O ARG A 22 13.910 -12.582 25.756 1.00 0.00 O ATOM 343 CB ARG A 22 12.138 -11.149 27.368 1.00 0.00 C ATOM 344 CG ARG A 22 11.972 -12.416 28.192 1.00 0.00 C ATOM 345 CD ARG A 22 11.648 -12.098 29.643 1.00 0.00 C ATOM 346 NE ARG A 22 12.785 -11.501 30.340 1.00 0.00 N ATOM 347 CZ ARG A 22 12.842 -11.350 31.658 1.00 0.00 C ATOM 348 NH1 ARG A 22 11.832 -11.750 32.419 1.00 0.00 N ATOM 349 NH2 ARG A 22 13.911 -10.798 32.218 1.00 0.00 N ATOM 0 H ARG A 22 10.186 -12.605 26.046 1.00 0.00 H new ATOM 0 HA ARG A 22 12.049 -10.411 25.352 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.156 -10.778 27.489 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.470 -10.381 27.759 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.176 -13.027 27.766 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.887 -13.006 28.143 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.799 -11.416 29.684 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.347 -13.012 30.156 1.00 0.00 H new ATOM 0 HE ARG A 22 13.578 -11.183 29.784 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.009 -12.175 31.992 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.878 -11.633 33.431 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.690 -10.489 31.636 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.954 -10.682 33.231 1.00 0.00 H new ATOM 363 N THR A 23 12.271 -13.164 24.327 1.00 0.00 N ATOM 364 CA THR A 23 13.045 -14.228 23.701 1.00 0.00 C ATOM 365 C THR A 23 12.720 -14.343 22.216 1.00 0.00 C ATOM 366 O THR A 23 11.636 -13.959 21.776 1.00 0.00 O ATOM 367 CB THR A 23 12.784 -15.586 24.379 1.00 0.00 C ATOM 368 OG1 THR A 23 11.491 -15.586 24.995 1.00 0.00 O ATOM 369 CG2 THR A 23 13.849 -15.883 25.424 1.00 0.00 C ATOM 0 H THR A 23 11.332 -13.046 23.947 1.00 0.00 H new ATOM 0 HA THR A 23 14.096 -13.967 23.821 1.00 0.00 H new ATOM 0 HB THR A 23 12.822 -16.362 23.614 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.540 -16.047 25.859 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.643 -16.847 25.889 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.829 -15.912 24.947 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.839 -15.103 26.186 1.00 0.00 H new ATOM 377 N ASP A 24 13.665 -14.875 21.448 1.00 0.00 N ATOM 378 CA ASP A 24 13.478 -15.042 20.011 1.00 0.00 C ATOM 379 C ASP A 24 12.249 -15.898 19.720 1.00 0.00 C ATOM 380 O ASP A 24 11.675 -15.826 18.634 1.00 0.00 O ATOM 381 CB ASP A 24 14.719 -15.679 19.385 1.00 0.00 C ATOM 382 CG ASP A 24 16.006 -15.054 19.885 1.00 0.00 C ATOM 383 OD1 ASP A 24 16.262 -13.877 19.553 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.757 -15.740 20.610 1.00 0.00 O ATOM 0 H ASP A 24 14.568 -15.198 21.796 1.00 0.00 H new ATOM 0 HA ASP A 24 13.325 -14.056 19.571 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.727 -16.746 19.607 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.667 -15.579 18.301 1.00 0.00 H new ATOM 389 N GLU A 25 11.853 -16.708 20.696 1.00 0.00 N ATOM 390 CA GLU A 25 10.694 -17.579 20.542 1.00 0.00 C ATOM 391 C GLU A 25 9.451 -16.772 20.176 1.00 0.00 C ATOM 392 O GLU A 25 8.511 -17.298 19.582 1.00 0.00 O ATOM 393 CB GLU A 25 10.443 -18.365 21.831 1.00 0.00 C ATOM 394 CG GLU A 25 10.257 -17.484 23.055 1.00 0.00 C ATOM 395 CD GLU A 25 10.646 -18.184 24.343 1.00 0.00 C ATOM 396 OE1 GLU A 25 11.811 -18.618 24.454 1.00 0.00 O ATOM 397 OE2 GLU A 25 9.784 -18.297 25.239 1.00 0.00 O ATOM 0 H GLU A 25 12.317 -16.779 21.601 1.00 0.00 H new ATOM 0 HA GLU A 25 10.903 -18.279 19.733 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.556 -18.985 21.702 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.281 -19.040 22.004 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.856 -16.580 22.942 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.215 -17.170 23.117 1.00 0.00 H new ATOM 404 N GLU A 26 9.457 -15.493 20.537 1.00 0.00 N ATOM 405 CA GLU A 26 8.330 -14.614 20.248 1.00 0.00 C ATOM 406 C GLU A 26 8.813 -13.219 19.860 1.00 0.00 C ATOM 407 O GLU A 26 9.927 -12.818 20.201 1.00 0.00 O ATOM 408 CB GLU A 26 7.400 -14.524 21.459 1.00 0.00 C ATOM 409 CG GLU A 26 6.418 -15.679 21.560 1.00 0.00 C ATOM 410 CD GLU A 26 5.092 -15.267 22.170 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.246 -14.719 21.433 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.901 -15.491 23.383 1.00 0.00 O ATOM 0 H GLU A 26 10.229 -15.043 21.029 1.00 0.00 H new ATOM 0 HA GLU A 26 7.780 -15.037 19.407 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.002 -14.490 22.367 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.843 -13.588 21.410 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.244 -16.091 20.566 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.859 -16.474 22.161 1.00 0.00 H new ATOM 419 N LEU A 27 7.969 -12.485 19.144 1.00 0.00 N ATOM 420 CA LEU A 27 8.309 -11.134 18.709 1.00 0.00 C ATOM 421 C LEU A 27 7.859 -10.101 19.736 1.00 0.00 C ATOM 422 O LEU A 27 6.689 -10.057 20.116 1.00 0.00 O ATOM 423 CB LEU A 27 7.664 -10.837 17.354 1.00 0.00 C ATOM 424 CG LEU A 27 8.188 -11.649 16.169 1.00 0.00 C ATOM 425 CD1 LEU A 27 9.708 -11.649 16.151 1.00 0.00 C ATOM 426 CD2 LEU A 27 7.654 -13.073 16.221 1.00 0.00 C ATOM 0 H LEU A 27 7.044 -12.802 18.852 1.00 0.00 H new ATOM 0 HA LEU A 27 9.393 -11.072 18.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.591 -11.008 17.440 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.802 -9.779 17.133 1.00 0.00 H new ATOM 0 HG LEU A 27 7.835 -11.182 15.250 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.062 -12.232 15.301 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.071 -10.625 16.065 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.083 -12.090 17.074 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.037 -13.637 15.370 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.977 -13.549 17.147 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.565 -13.055 16.183 1.00 0.00 H new ATOM 438 N SER A 28 8.796 -9.270 20.182 1.00 0.00 N ATOM 439 CA SER A 28 8.497 -8.238 21.167 1.00 0.00 C ATOM 440 C SER A 28 8.005 -6.964 20.486 1.00 0.00 C ATOM 441 O SER A 28 8.774 -6.028 20.265 1.00 0.00 O ATOM 442 CB SER A 28 9.736 -7.933 22.010 1.00 0.00 C ATOM 443 OG SER A 28 10.778 -7.401 21.211 1.00 0.00 O ATOM 0 H SER A 28 9.769 -9.292 19.876 1.00 0.00 H new ATOM 0 HA SER A 28 7.706 -8.610 21.818 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.479 -7.224 22.797 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.079 -8.844 22.501 1.00 0.00 H new ATOM 0 HG SER A 28 10.411 -6.729 20.600 1.00 0.00 H new ATOM 449 N PHE A 29 6.718 -6.936 20.156 1.00 0.00 N ATOM 450 CA PHE A 29 6.122 -5.778 19.500 1.00 0.00 C ATOM 451 C PHE A 29 4.606 -5.773 19.675 1.00 0.00 C ATOM 452 O PHE A 29 4.009 -6.788 20.036 1.00 0.00 O ATOM 453 CB PHE A 29 6.474 -5.772 18.011 1.00 0.00 C ATOM 454 CG PHE A 29 7.257 -4.564 17.584 1.00 0.00 C ATOM 455 CD1 PHE A 29 8.639 -4.545 17.687 1.00 0.00 C ATOM 456 CD2 PHE A 29 6.612 -3.446 17.081 1.00 0.00 C ATOM 457 CE1 PHE A 29 9.362 -3.434 17.296 1.00 0.00 C ATOM 458 CE2 PHE A 29 7.329 -2.332 16.688 1.00 0.00 C ATOM 459 CZ PHE A 29 8.706 -2.326 16.795 1.00 0.00 C ATOM 0 H PHE A 29 6.068 -7.702 20.332 1.00 0.00 H new ATOM 0 HA PHE A 29 6.527 -4.880 19.966 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.049 -6.668 17.778 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.554 -5.823 17.428 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.157 -5.409 18.077 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.535 -3.445 16.995 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.439 -3.432 17.382 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.813 -1.467 16.298 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.269 -1.457 16.488 1.00 0.00 H new ATOM 469 N ARG A 30 3.990 -4.624 19.419 1.00 0.00 N ATOM 470 CA ARG A 30 2.545 -4.486 19.550 1.00 0.00 C ATOM 471 C ARG A 30 1.851 -4.740 18.215 1.00 0.00 C ATOM 472 O ARG A 30 2.475 -4.669 17.157 1.00 0.00 O ATOM 473 CB ARG A 30 2.190 -3.090 20.064 1.00 0.00 C ATOM 474 CG ARG A 30 2.431 -1.986 19.047 1.00 0.00 C ATOM 475 CD ARG A 30 1.996 -0.631 19.582 1.00 0.00 C ATOM 476 NE ARG A 30 1.834 0.353 18.515 1.00 0.00 N ATOM 477 CZ ARG A 30 1.455 1.608 18.723 1.00 0.00 C ATOM 478 NH1 ARG A 30 1.200 2.032 19.954 1.00 0.00 N ATOM 479 NH2 ARG A 30 1.330 2.444 17.700 1.00 0.00 N ATOM 0 H ARG A 30 4.469 -3.775 19.120 1.00 0.00 H new ATOM 0 HA ARG A 30 2.198 -5.230 20.267 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.141 -3.077 20.360 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.776 -2.882 20.959 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.489 -1.953 18.788 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.885 -2.209 18.130 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.055 -0.739 20.121 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.734 -0.270 20.299 1.00 0.00 H new ATOM 0 HE ARG A 30 2.023 0.059 17.557 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.295 1.393 20.743 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.909 2.997 20.111 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.525 2.123 16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.039 3.408 17.862 1.00 0.00 H new ATOM 493 N ALA A 31 0.557 -5.036 18.274 1.00 0.00 N ATOM 494 CA ALA A 31 -0.222 -5.299 17.070 1.00 0.00 C ATOM 495 C ALA A 31 -0.164 -4.117 16.109 1.00 0.00 C ATOM 496 O ALA A 31 0.289 -3.032 16.472 1.00 0.00 O ATOM 497 CB ALA A 31 -1.665 -5.616 17.434 1.00 0.00 C ATOM 0 H ALA A 31 0.026 -5.100 19.142 1.00 0.00 H new ATOM 0 HA ALA A 31 0.213 -6.163 16.567 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.235 -5.810 16.526 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.693 -6.497 18.076 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.102 -4.768 17.962 1.00 0.00 H new ATOM 503 N GLY A 32 -0.624 -4.335 14.881 1.00 0.00 N ATOM 504 CA GLY A 32 -0.615 -3.278 13.887 1.00 0.00 C ATOM 505 C GLY A 32 0.689 -3.219 13.116 1.00 0.00 C ATOM 506 O GLY A 32 0.788 -2.527 12.102 1.00 0.00 O ATOM 0 H GLY A 32 -1.003 -5.225 14.557 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.439 -3.432 13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.787 -2.320 14.378 1.00 0.00 H new ATOM 510 N ASP A 33 1.692 -3.945 13.597 1.00 0.00 N ATOM 511 CA ASP A 33 2.997 -3.972 12.946 1.00 0.00 C ATOM 512 C ASP A 33 3.008 -4.972 11.794 1.00 0.00 C ATOM 513 O ASP A 33 2.240 -5.934 11.785 1.00 0.00 O ATOM 514 CB ASP A 33 4.088 -4.328 13.958 1.00 0.00 C ATOM 515 CG ASP A 33 4.810 -3.105 14.485 1.00 0.00 C ATOM 516 OD1 ASP A 33 4.193 -2.333 15.249 1.00 0.00 O ATOM 517 OD2 ASP A 33 5.994 -2.918 14.134 1.00 0.00 O ATOM 0 H ASP A 33 1.627 -4.523 14.435 1.00 0.00 H new ATOM 0 HA ASP A 33 3.196 -2.979 12.543 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.643 -4.871 14.792 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.809 -4.998 13.490 1.00 0.00 H new ATOM 522 N VAL A 34 3.884 -4.736 10.822 1.00 0.00 N ATOM 523 CA VAL A 34 3.996 -5.616 9.664 1.00 0.00 C ATOM 524 C VAL A 34 5.087 -6.660 9.871 1.00 0.00 C ATOM 525 O VAL A 34 6.158 -6.359 10.399 1.00 0.00 O ATOM 526 CB VAL A 34 4.299 -4.819 8.382 1.00 0.00 C ATOM 527 CG1 VAL A 34 3.156 -3.868 8.061 1.00 0.00 C ATOM 528 CG2 VAL A 34 5.611 -4.061 8.523 1.00 0.00 C ATOM 0 H VAL A 34 4.526 -3.943 10.813 1.00 0.00 H new ATOM 0 HA VAL A 34 3.035 -6.117 9.552 1.00 0.00 H new ATOM 0 HB VAL A 34 4.399 -5.521 7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.388 -3.314 7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.239 -4.438 7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.021 -3.170 8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.809 -3.503 7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.543 -3.369 9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.422 -4.767 8.700 1.00 0.00 H new ATOM 538 N PHE A 35 4.809 -7.889 9.450 1.00 0.00 N ATOM 539 CA PHE A 35 5.767 -8.980 9.589 1.00 0.00 C ATOM 540 C PHE A 35 5.766 -9.866 8.347 1.00 0.00 C ATOM 541 O PHE A 35 4.760 -9.967 7.643 1.00 0.00 O ATOM 542 CB PHE A 35 5.443 -9.817 10.827 1.00 0.00 C ATOM 543 CG PHE A 35 5.145 -8.993 12.047 1.00 0.00 C ATOM 544 CD1 PHE A 35 6.131 -8.215 12.631 1.00 0.00 C ATOM 545 CD2 PHE A 35 3.879 -8.997 12.610 1.00 0.00 C ATOM 546 CE1 PHE A 35 5.861 -7.455 13.754 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.602 -8.239 13.732 1.00 0.00 C ATOM 548 CZ PHE A 35 4.594 -7.468 14.305 1.00 0.00 C ATOM 0 H PHE A 35 3.928 -8.155 9.010 1.00 0.00 H new ATOM 0 HA PHE A 35 6.760 -8.546 9.703 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.586 -10.454 10.611 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.284 -10.476 11.040 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.123 -8.202 12.204 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.100 -9.599 12.167 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.639 -6.853 14.200 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.611 -8.250 14.160 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.380 -6.876 15.183 1.00 0.00 H new ATOM 558 N HIS A 36 6.900 -10.508 8.083 1.00 0.00 N ATOM 559 CA HIS A 36 7.031 -11.387 6.927 1.00 0.00 C ATOM 560 C HIS A 36 7.402 -12.802 7.359 1.00 0.00 C ATOM 561 O HIS A 36 8.306 -12.997 8.170 1.00 0.00 O ATOM 562 CB HIS A 36 8.086 -10.842 5.963 1.00 0.00 C ATOM 563 CG HIS A 36 8.101 -11.538 4.636 1.00 0.00 C ATOM 564 ND1 HIS A 36 9.162 -12.302 4.199 1.00 0.00 N ATOM 565 CD2 HIS A 36 7.175 -11.583 3.650 1.00 0.00 C ATOM 566 CE1 HIS A 36 8.890 -12.786 3.001 1.00 0.00 C ATOM 567 NE2 HIS A 36 7.690 -12.365 2.645 1.00 0.00 N ATOM 0 H HIS A 36 7.742 -10.436 8.655 1.00 0.00 H new ATOM 0 HA HIS A 36 6.068 -11.423 6.418 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.907 -9.779 5.804 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.070 -10.934 6.424 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.211 -11.095 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.538 -13.418 2.413 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.221 -12.585 1.766 1.00 0.00 H new ATOM 575 N VAL A 37 6.696 -13.787 6.811 1.00 0.00 N ATOM 576 CA VAL A 37 6.951 -15.184 7.140 1.00 0.00 C ATOM 577 C VAL A 37 7.964 -15.798 6.181 1.00 0.00 C ATOM 578 O VAL A 37 7.760 -15.806 4.967 1.00 0.00 O ATOM 579 CB VAL A 37 5.655 -16.015 7.101 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.968 -15.872 5.751 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.950 -17.476 7.406 1.00 0.00 C ATOM 0 H VAL A 37 5.944 -13.643 6.138 1.00 0.00 H new ATOM 0 HA VAL A 37 7.355 -15.202 8.152 1.00 0.00 H new ATOM 0 HB VAL A 37 4.979 -15.636 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.054 -16.466 5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.721 -14.825 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.636 -16.222 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.023 -18.049 7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.645 -17.869 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.393 -17.558 8.398 1.00 0.00 H new ATOM 591 N ALA A 38 9.058 -16.312 6.734 1.00 0.00 N ATOM 592 CA ALA A 38 10.103 -16.931 5.927 1.00 0.00 C ATOM 593 C ALA A 38 9.929 -18.445 5.872 1.00 0.00 C ATOM 594 O ALA A 38 10.485 -19.111 4.998 1.00 0.00 O ATOM 595 CB ALA A 38 11.476 -16.575 6.479 1.00 0.00 C ATOM 0 H ALA A 38 9.244 -16.312 7.737 1.00 0.00 H new ATOM 0 HA ALA A 38 10.021 -16.545 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.247 -17.044 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.606 -15.493 6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.560 -16.933 7.505 1.00 0.00 H new ATOM 601 N ARG A 39 9.156 -18.982 6.810 1.00 0.00 N ATOM 602 CA ARG A 39 8.911 -20.418 6.869 1.00 0.00 C ATOM 603 C ARG A 39 7.544 -20.712 7.479 1.00 0.00 C ATOM 604 O ARG A 39 7.104 -20.026 8.402 1.00 0.00 O ATOM 605 CB ARG A 39 10.005 -21.110 7.684 1.00 0.00 C ATOM 606 CG ARG A 39 10.047 -22.617 7.490 1.00 0.00 C ATOM 607 CD ARG A 39 10.937 -23.003 6.318 1.00 0.00 C ATOM 608 NE ARG A 39 10.205 -23.009 5.054 1.00 0.00 N ATOM 609 CZ ARG A 39 9.335 -23.954 4.713 1.00 0.00 C ATOM 610 NH1 ARG A 39 9.089 -24.962 5.538 1.00 0.00 N ATOM 611 NH2 ARG A 39 8.709 -23.890 3.545 1.00 0.00 N ATOM 0 H ARG A 39 8.688 -18.444 7.540 1.00 0.00 H new ATOM 0 HA ARG A 39 8.926 -20.806 5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.972 -20.690 7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.852 -20.892 8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.415 -23.092 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.037 -22.992 7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.771 -22.304 6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.362 -23.991 6.495 1.00 0.00 H new ATOM 0 HE ARG A 39 10.371 -22.246 4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.568 -25.014 6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.421 -25.686 5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.895 -23.115 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.041 -24.616 3.284 1.00 0.00 H new ATOM 625 N LYS A 40 6.877 -21.735 6.957 1.00 0.00 N ATOM 626 CA LYS A 40 5.560 -22.122 7.450 1.00 0.00 C ATOM 627 C LYS A 40 5.507 -23.617 7.745 1.00 0.00 C ATOM 628 O LYS A 40 5.532 -24.440 6.830 1.00 0.00 O ATOM 629 CB LYS A 40 4.482 -21.754 6.427 1.00 0.00 C ATOM 630 CG LYS A 40 4.843 -22.130 5.001 1.00 0.00 C ATOM 631 CD LYS A 40 3.603 -22.379 4.159 1.00 0.00 C ATOM 632 CE LYS A 40 2.908 -23.671 4.559 1.00 0.00 C ATOM 633 NZ LYS A 40 2.115 -24.245 3.436 1.00 0.00 N ATOM 0 H LYS A 40 7.227 -22.312 6.192 1.00 0.00 H new ATOM 0 HA LYS A 40 5.373 -21.580 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.550 -22.249 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.298 -20.681 6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.435 -21.332 4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.466 -23.024 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.912 -21.543 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.880 -22.425 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.652 -24.397 4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.251 -23.482 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.657 -25.125 3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.388 -23.562 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.746 -24.449 2.635 1.00 0.00 H new ATOM 647 N GLU A 41 5.432 -23.961 9.027 1.00 0.00 N ATOM 648 CA GLU A 41 5.375 -25.358 9.440 1.00 0.00 C ATOM 649 C GLU A 41 3.964 -25.736 9.884 1.00 0.00 C ATOM 650 O GLU A 41 3.119 -24.870 10.104 1.00 0.00 O ATOM 651 CB GLU A 41 6.365 -25.617 10.577 1.00 0.00 C ATOM 652 CG GLU A 41 6.905 -27.037 10.601 1.00 0.00 C ATOM 653 CD GLU A 41 8.222 -27.148 11.346 1.00 0.00 C ATOM 654 OE1 GLU A 41 8.191 -27.319 12.583 1.00 0.00 O ATOM 655 OE2 GLU A 41 9.282 -27.064 10.692 1.00 0.00 O ATOM 0 H GLU A 41 5.409 -23.292 9.797 1.00 0.00 H new ATOM 0 HA GLU A 41 5.646 -25.975 8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.199 -24.921 10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.876 -25.407 11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.171 -27.693 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.040 -27.388 9.578 1.00 0.00 H new ATOM 662 N GLU A 42 3.720 -27.037 10.012 1.00 0.00 N ATOM 663 CA GLU A 42 2.412 -27.530 10.428 1.00 0.00 C ATOM 664 C GLU A 42 2.145 -27.194 11.893 1.00 0.00 C ATOM 665 O GLU A 42 0.994 -27.056 12.308 1.00 0.00 O ATOM 666 CB GLU A 42 2.322 -29.043 10.216 1.00 0.00 C ATOM 667 CG GLU A 42 3.110 -29.849 11.234 1.00 0.00 C ATOM 668 CD GLU A 42 2.982 -31.344 11.019 1.00 0.00 C ATOM 669 OE1 GLU A 42 1.842 -31.825 10.854 1.00 0.00 O ATOM 670 OE2 GLU A 42 4.024 -32.034 11.016 1.00 0.00 O ATOM 0 H GLU A 42 4.410 -27.767 9.834 1.00 0.00 H new ATOM 0 HA GLU A 42 1.655 -27.039 9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.276 -29.345 10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.684 -29.283 9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.161 -29.567 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.764 -29.599 12.237 1.00 0.00 H new ATOM 677 N GLN A 43 3.215 -27.067 12.670 1.00 0.00 N ATOM 678 CA GLN A 43 3.096 -26.749 14.088 1.00 0.00 C ATOM 679 C GLN A 43 3.138 -25.241 14.313 1.00 0.00 C ATOM 680 O GLN A 43 2.127 -24.627 14.654 1.00 0.00 O ATOM 681 CB GLN A 43 4.216 -27.426 14.879 1.00 0.00 C ATOM 682 CG GLN A 43 4.257 -28.935 14.706 1.00 0.00 C ATOM 683 CD GLN A 43 4.795 -29.649 15.931 1.00 0.00 C ATOM 684 OE1 GLN A 43 4.211 -29.577 17.012 1.00 0.00 O ATOM 685 NE2 GLN A 43 5.915 -30.344 15.767 1.00 0.00 N ATOM 0 H GLN A 43 4.174 -27.179 12.342 1.00 0.00 H new ATOM 0 HA GLN A 43 2.135 -27.124 14.440 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.173 -27.007 14.568 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.094 -27.193 15.937 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.253 -29.299 14.490 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.878 -29.181 13.845 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.366 -30.376 14.853 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.324 -30.845 16.555 1.00 0.00 H new ATOM 694 N TRP A 44 4.312 -24.651 14.120 1.00 0.00 N ATOM 695 CA TRP A 44 4.485 -23.215 14.303 1.00 0.00 C ATOM 696 C TRP A 44 5.073 -22.573 13.051 1.00 0.00 C ATOM 697 O TRP A 44 5.729 -23.240 12.251 1.00 0.00 O ATOM 698 CB TRP A 44 5.389 -22.938 15.506 1.00 0.00 C ATOM 699 CG TRP A 44 5.014 -23.726 16.724 1.00 0.00 C ATOM 700 CD1 TRP A 44 3.753 -23.973 17.185 1.00 0.00 C ATOM 701 CD2 TRP A 44 5.910 -24.368 17.639 1.00 0.00 C ATOM 702 NE1 TRP A 44 3.810 -24.730 18.330 1.00 0.00 N ATOM 703 CE2 TRP A 44 5.122 -24.986 18.629 1.00 0.00 C ATOM 704 CE3 TRP A 44 7.300 -24.482 17.716 1.00 0.00 C ATOM 705 CZ2 TRP A 44 5.680 -25.705 19.683 1.00 0.00 C ATOM 706 CZ3 TRP A 44 7.853 -25.196 18.763 1.00 0.00 C ATOM 707 CH2 TRP A 44 7.044 -25.801 19.734 1.00 0.00 C ATOM 0 H TRP A 44 5.158 -25.145 13.837 1.00 0.00 H new ATOM 0 HA TRP A 44 3.504 -22.777 14.486 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.420 -23.167 15.237 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.350 -21.875 15.744 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.844 -23.624 16.718 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.006 -25.050 18.870 1.00 0.00 H new ATOM 0 HE3 TRP A 44 7.931 -24.021 16.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.058 -26.170 20.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 8.927 -25.289 18.834 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.506 -26.354 20.538 1.00 0.00 H new ATOM 718 N TRP A 45 4.834 -21.277 12.888 1.00 0.00 N ATOM 719 CA TRP A 45 5.341 -20.547 11.732 1.00 0.00 C ATOM 720 C TRP A 45 6.462 -19.596 12.138 1.00 0.00 C ATOM 721 O TRP A 45 6.492 -19.103 13.266 1.00 0.00 O ATOM 722 CB TRP A 45 4.211 -19.765 11.061 1.00 0.00 C ATOM 723 CG TRP A 45 3.349 -20.611 10.173 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.125 -21.954 10.287 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.600 -20.172 9.034 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.281 -22.375 9.287 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.944 -21.302 8.507 1.00 0.00 C ATOM 728 CE3 TRP A 45 2.418 -18.935 8.411 1.00 0.00 C ATOM 729 CZ2 TRP A 45 1.122 -21.228 7.385 1.00 0.00 C ATOM 730 CZ3 TRP A 45 1.603 -18.864 7.298 1.00 0.00 C ATOM 731 CH2 TRP A 45 0.962 -20.004 6.794 1.00 0.00 C ATOM 0 H TRP A 45 4.293 -20.710 13.541 1.00 0.00 H new ATOM 0 HA TRP A 45 5.743 -21.272 11.024 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.589 -19.307 11.830 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.640 -18.953 10.473 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.548 -22.591 11.050 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.958 -23.333 9.149 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.906 -18.050 8.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.628 -22.106 6.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.457 -17.913 6.807 1.00 0.00 H new ATOM 0 HH2 TRP A 45 0.330 -19.915 5.923 1.00 0.00 H new ATOM 742 N TRP A 46 7.380 -19.341 11.213 1.00 0.00 N ATOM 743 CA TRP A 46 8.503 -18.448 11.476 1.00 0.00 C ATOM 744 C TRP A 46 8.252 -17.068 10.878 1.00 0.00 C ATOM 745 O TRP A 46 8.290 -16.894 9.660 1.00 0.00 O ATOM 746 CB TRP A 46 9.794 -19.038 10.907 1.00 0.00 C ATOM 747 CG TRP A 46 10.201 -20.321 11.565 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.524 -21.507 11.539 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.379 -20.547 12.348 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.209 -22.456 12.259 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.351 -21.892 12.765 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.455 -19.745 12.736 1.00 0.00 C ATOM 753 CZ2 TRP A 46 12.356 -22.449 13.550 1.00 0.00 C ATOM 754 CZ3 TRP A 46 13.452 -20.299 13.515 1.00 0.00 C ATOM 755 CH2 TRP A 46 13.398 -21.641 13.915 1.00 0.00 C ATOM 0 H TRP A 46 7.369 -19.740 10.274 1.00 0.00 H new ATOM 0 HA TRP A 46 8.606 -18.342 12.556 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.666 -19.211 9.838 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.598 -18.310 11.018 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.588 -21.674 11.028 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.915 -23.423 12.395 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.506 -18.710 12.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.315 -23.483 13.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.288 -19.687 13.821 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.194 -22.045 14.523 1.00 0.00 H new ATOM 766 N ALA A 47 7.997 -16.091 11.741 1.00 0.00 N ATOM 767 CA ALA A 47 7.743 -14.726 11.297 1.00 0.00 C ATOM 768 C ALA A 47 8.919 -13.814 11.626 1.00 0.00 C ATOM 769 O ALA A 47 9.622 -14.022 12.616 1.00 0.00 O ATOM 770 CB ALA A 47 6.466 -14.194 11.930 1.00 0.00 C ATOM 0 H ALA A 47 7.961 -16.219 12.752 1.00 0.00 H new ATOM 0 HA ALA A 47 7.620 -14.739 10.214 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.289 -13.174 11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.626 -14.825 11.639 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.567 -14.202 13.015 1.00 0.00 H new ATOM 776 N THR A 48 9.129 -12.801 10.790 1.00 0.00 N ATOM 777 CA THR A 48 10.222 -11.858 10.992 1.00 0.00 C ATOM 778 C THR A 48 9.736 -10.419 10.863 1.00 0.00 C ATOM 779 O THR A 48 8.977 -10.088 9.951 1.00 0.00 O ATOM 780 CB THR A 48 11.362 -12.096 9.984 1.00 0.00 C ATOM 781 OG1 THR A 48 11.891 -13.416 10.146 1.00 0.00 O ATOM 782 CG2 THR A 48 12.473 -11.073 10.173 1.00 0.00 C ATOM 0 H THR A 48 8.556 -12.613 9.967 1.00 0.00 H new ATOM 0 HA THR A 48 10.600 -12.022 12.001 1.00 0.00 H new ATOM 0 HB THR A 48 10.957 -11.988 8.978 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.614 -13.560 9.500 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.267 -11.261 9.450 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.074 -10.070 10.021 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.875 -11.155 11.183 1.00 0.00 H new ATOM 790 N LEU A 49 10.179 -9.566 11.780 1.00 0.00 N ATOM 791 CA LEU A 49 9.790 -8.160 11.768 1.00 0.00 C ATOM 792 C LEU A 49 10.845 -7.308 11.070 1.00 0.00 C ATOM 793 O LEU A 49 12.025 -7.351 11.422 1.00 0.00 O ATOM 794 CB LEU A 49 9.576 -7.657 13.197 1.00 0.00 C ATOM 795 CG LEU A 49 9.589 -6.140 13.384 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.479 -5.492 12.572 1.00 0.00 C ATOM 797 CD2 LEU A 49 9.453 -5.783 14.857 1.00 0.00 C ATOM 0 H LEU A 49 10.808 -9.823 12.541 1.00 0.00 H new ATOM 0 HA LEU A 49 8.855 -8.073 11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.620 -8.039 13.556 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.350 -8.088 13.832 1.00 0.00 H new ATOM 0 HG LEU A 49 10.544 -5.757 13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.504 -4.412 12.718 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.621 -5.719 11.515 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.515 -5.880 12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.464 -4.699 14.971 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.513 -6.179 15.242 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.284 -6.215 15.414 1.00 0.00 H new ATOM 809 N LEU A 50 10.414 -6.534 10.080 1.00 0.00 N ATOM 810 CA LEU A 50 11.322 -5.670 9.334 1.00 0.00 C ATOM 811 C LEU A 50 11.019 -4.200 9.604 1.00 0.00 C ATOM 812 O LEU A 50 9.940 -3.856 10.088 1.00 0.00 O ATOM 813 CB LEU A 50 11.214 -5.957 7.835 1.00 0.00 C ATOM 814 CG LEU A 50 10.785 -7.374 7.452 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.666 -7.506 5.942 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.768 -8.396 8.004 1.00 0.00 C ATOM 0 H LEU A 50 9.442 -6.487 9.775 1.00 0.00 H new ATOM 0 HA LEU A 50 12.339 -5.880 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.503 -5.254 7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.182 -5.755 7.376 1.00 0.00 H new ATOM 0 HG LEU A 50 9.806 -7.568 7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.360 -8.521 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.923 -6.800 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.630 -7.292 5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.447 -9.399 7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.760 -8.204 7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.802 -8.318 9.091 1.00 0.00 H new ATOM 828 N ASP A 51 11.978 -3.336 9.288 1.00 0.00 N ATOM 829 CA ASP A 51 11.813 -1.902 9.494 1.00 0.00 C ATOM 830 C ASP A 51 10.915 -1.298 8.419 1.00 0.00 C ATOM 831 O ASP A 51 10.437 -2.001 7.530 1.00 0.00 O ATOM 832 CB ASP A 51 13.175 -1.205 9.490 1.00 0.00 C ATOM 833 CG ASP A 51 13.207 0.008 10.399 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.706 -0.091 11.538 1.00 0.00 O ATOM 835 OD2 ASP A 51 13.735 1.056 9.971 1.00 0.00 O ATOM 0 H ASP A 51 12.877 -3.604 8.888 1.00 0.00 H new ATOM 0 HA ASP A 51 11.339 -1.751 10.464 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.943 -1.912 9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.421 -0.900 8.473 1.00 0.00 H new ATOM 840 N GLU A 52 10.690 0.009 8.509 1.00 0.00 N ATOM 841 CA GLU A 52 9.848 0.706 7.544 1.00 0.00 C ATOM 842 C GLU A 52 10.392 0.542 6.128 1.00 0.00 C ATOM 843 O GLU A 52 9.649 0.636 5.151 1.00 0.00 O ATOM 844 CB GLU A 52 9.754 2.192 7.896 1.00 0.00 C ATOM 845 CG GLU A 52 11.103 2.887 7.973 1.00 0.00 C ATOM 846 CD GLU A 52 10.998 4.388 7.787 1.00 0.00 C ATOM 847 OE1 GLU A 52 10.211 4.826 6.922 1.00 0.00 O ATOM 848 OE2 GLU A 52 11.703 5.125 8.507 1.00 0.00 O ATOM 0 H GLU A 52 11.078 0.606 9.239 1.00 0.00 H new ATOM 0 HA GLU A 52 8.852 0.266 7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.138 2.695 7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.245 2.298 8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.562 2.676 8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.763 2.476 7.210 1.00 0.00 H new ATOM 855 N ALA A 53 11.694 0.296 6.025 1.00 0.00 N ATOM 856 CA ALA A 53 12.337 0.116 4.729 1.00 0.00 C ATOM 857 C ALA A 53 12.050 -1.269 4.161 1.00 0.00 C ATOM 858 O ALA A 53 12.211 -1.505 2.964 1.00 0.00 O ATOM 859 CB ALA A 53 13.838 0.339 4.850 1.00 0.00 C ATOM 0 H ALA A 53 12.324 0.217 6.823 1.00 0.00 H new ATOM 0 HA ALA A 53 11.925 0.854 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.306 0.202 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.028 1.352 5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.256 -0.377 5.558 1.00 0.00 H new ATOM 865 N GLY A 54 11.625 -2.184 5.028 1.00 0.00 N ATOM 866 CA GLY A 54 11.324 -3.535 4.593 1.00 0.00 C ATOM 867 C GLY A 54 12.531 -4.449 4.661 1.00 0.00 C ATOM 868 O GLY A 54 12.561 -5.498 4.020 1.00 0.00 O ATOM 0 H GLY A 54 11.484 -2.013 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.527 -3.944 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.949 -3.509 3.570 1.00 0.00 H new ATOM 872 N GLY A 55 13.531 -4.049 5.441 1.00 0.00 N ATOM 873 CA GLY A 55 14.734 -4.850 5.575 1.00 0.00 C ATOM 874 C GLY A 55 14.569 -5.981 6.570 1.00 0.00 C ATOM 875 O GLY A 55 14.132 -7.075 6.211 1.00 0.00 O ATOM 0 H GLY A 55 13.529 -3.185 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.003 -5.262 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.559 -4.211 5.889 1.00 0.00 H new ATOM 879 N ALA A 56 14.920 -5.719 7.825 1.00 0.00 N ATOM 880 CA ALA A 56 14.809 -6.724 8.875 1.00 0.00 C ATOM 881 C ALA A 56 15.216 -6.151 10.228 1.00 0.00 C ATOM 882 O ALA A 56 15.976 -5.185 10.302 1.00 0.00 O ATOM 883 CB ALA A 56 15.660 -7.939 8.536 1.00 0.00 C ATOM 0 H ALA A 56 15.284 -4.819 8.139 1.00 0.00 H new ATOM 0 HA ALA A 56 13.766 -7.032 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.567 -8.681 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.320 -8.370 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.703 -7.638 8.441 1.00 0.00 H new ATOM 889 N VAL A 57 14.704 -6.751 11.298 1.00 0.00 N ATOM 890 CA VAL A 57 15.015 -6.301 12.649 1.00 0.00 C ATOM 891 C VAL A 57 15.110 -7.478 13.613 1.00 0.00 C ATOM 892 O VAL A 57 16.191 -7.810 14.099 1.00 0.00 O ATOM 893 CB VAL A 57 13.955 -5.311 13.169 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.394 -4.703 14.492 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.688 -4.226 12.136 1.00 0.00 C ATOM 0 H VAL A 57 14.072 -7.550 11.255 1.00 0.00 H new ATOM 0 HA VAL A 57 15.980 -5.797 12.600 1.00 0.00 H new ATOM 0 HB VAL A 57 13.026 -5.856 13.339 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.632 -4.007 14.843 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.529 -5.495 15.229 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.335 -4.171 14.354 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.937 -3.535 12.520 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.611 -3.682 11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.325 -4.682 11.215 1.00 0.00 H new ATOM 905 N ALA A 58 13.971 -8.107 13.885 1.00 0.00 N ATOM 906 CA ALA A 58 13.927 -9.250 14.789 1.00 0.00 C ATOM 907 C ALA A 58 13.224 -10.437 14.139 1.00 0.00 C ATOM 908 O ALA A 58 12.405 -10.266 13.237 1.00 0.00 O ATOM 909 CB ALA A 58 13.231 -8.869 16.088 1.00 0.00 C ATOM 0 H ALA A 58 13.067 -7.844 13.492 1.00 0.00 H new ATOM 0 HA ALA A 58 14.952 -9.545 15.012 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.205 -9.732 16.754 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.776 -8.056 16.568 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.212 -8.546 15.874 1.00 0.00 H new ATOM 915 N GLN A 59 13.551 -11.638 14.603 1.00 0.00 N ATOM 916 CA GLN A 59 12.951 -12.854 14.065 1.00 0.00 C ATOM 917 C GLN A 59 12.395 -13.728 15.184 1.00 0.00 C ATOM 918 O GLN A 59 13.050 -13.942 16.202 1.00 0.00 O ATOM 919 CB GLN A 59 13.982 -13.639 13.252 1.00 0.00 C ATOM 920 CG GLN A 59 14.610 -12.835 12.126 1.00 0.00 C ATOM 921 CD GLN A 59 16.007 -13.310 11.777 1.00 0.00 C ATOM 922 OE1 GLN A 59 16.191 -14.116 10.864 1.00 0.00 O ATOM 923 NE2 GLN A 59 17.000 -12.813 12.505 1.00 0.00 N ATOM 0 H GLN A 59 14.228 -11.796 15.350 1.00 0.00 H new ATOM 0 HA GLN A 59 12.127 -12.565 13.412 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.769 -13.989 13.920 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.504 -14.524 12.832 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.977 -12.900 11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.649 -11.784 12.413 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.801 -12.147 13.252 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.962 -13.097 12.317 1.00 0.00 H new ATOM 932 N GLY A 60 11.180 -14.231 14.986 1.00 0.00 N ATOM 933 CA GLY A 60 10.555 -15.076 15.988 1.00 0.00 C ATOM 934 C GLY A 60 9.391 -15.871 15.431 1.00 0.00 C ATOM 935 O GLY A 60 8.634 -15.375 14.596 1.00 0.00 O ATOM 0 H GLY A 60 10.618 -14.069 14.151 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.298 -15.762 16.395 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.206 -14.457 16.815 1.00 0.00 H new ATOM 939 N TYR A 61 9.247 -17.108 15.892 1.00 0.00 N ATOM 940 CA TYR A 61 8.169 -17.975 15.432 1.00 0.00 C ATOM 941 C TYR A 61 6.915 -17.782 16.280 1.00 0.00 C ATOM 942 O TYR A 61 6.995 -17.610 17.497 1.00 0.00 O ATOM 943 CB TYR A 61 8.609 -19.439 15.477 1.00 0.00 C ATOM 944 CG TYR A 61 8.664 -20.012 16.876 1.00 0.00 C ATOM 945 CD1 TYR A 61 7.538 -20.579 17.460 1.00 0.00 C ATOM 946 CD2 TYR A 61 9.841 -19.985 17.613 1.00 0.00 C ATOM 947 CE1 TYR A 61 7.584 -21.103 18.738 1.00 0.00 C ATOM 948 CE2 TYR A 61 9.897 -20.508 18.890 1.00 0.00 C ATOM 949 CZ TYR A 61 8.765 -21.065 19.448 1.00 0.00 C ATOM 950 OH TYR A 61 8.816 -21.586 20.721 1.00 0.00 O ATOM 0 H TYR A 61 9.864 -17.533 16.584 1.00 0.00 H new ATOM 0 HA TYR A 61 7.934 -17.705 14.402 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.922 -20.035 14.876 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.594 -19.528 15.018 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.611 -20.611 16.906 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.728 -19.547 17.180 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.700 -21.540 19.178 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.821 -20.481 19.448 1.00 0.00 H new ATOM 0 HH TYR A 61 9.721 -21.481 21.081 1.00 0.00 H new ATOM 960 N VAL A 62 5.757 -17.813 15.628 1.00 0.00 N ATOM 961 CA VAL A 62 4.485 -17.644 16.321 1.00 0.00 C ATOM 962 C VAL A 62 3.382 -18.455 15.651 1.00 0.00 C ATOM 963 O VAL A 62 3.451 -18.783 14.466 1.00 0.00 O ATOM 964 CB VAL A 62 4.063 -16.163 16.365 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.856 -15.413 17.425 1.00 0.00 C ATOM 966 CG2 VAL A 62 4.240 -15.518 14.999 1.00 0.00 C ATOM 0 H VAL A 62 5.673 -17.954 14.621 1.00 0.00 H new ATOM 0 HA VAL A 62 4.629 -18.004 17.340 1.00 0.00 H new ATOM 0 HB VAL A 62 3.007 -16.112 16.631 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.544 -14.369 17.441 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.673 -15.862 18.401 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.919 -15.471 17.193 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.937 -14.472 15.049 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.287 -15.579 14.701 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.623 -16.040 14.267 1.00 0.00 H new ATOM 976 N PRO A 63 2.339 -18.788 16.425 1.00 0.00 N ATOM 977 CA PRO A 63 1.200 -19.565 15.927 1.00 0.00 C ATOM 978 C PRO A 63 0.343 -18.774 14.945 1.00 0.00 C ATOM 979 O PRO A 63 0.104 -17.581 15.136 1.00 0.00 O ATOM 980 CB PRO A 63 0.405 -19.881 17.196 1.00 0.00 C ATOM 981 CG PRO A 63 0.763 -18.793 18.149 1.00 0.00 C ATOM 982 CD PRO A 63 2.191 -18.432 17.846 1.00 0.00 C ATOM 0 HA PRO A 63 1.520 -20.449 15.376 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.667 -19.897 16.998 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.670 -20.860 17.595 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.107 -17.932 18.022 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.655 -19.127 19.181 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.383 -17.373 18.017 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.888 -18.987 18.474 1.00 0.00 H new ATOM 990 N HIS A 64 -0.116 -19.445 13.893 1.00 0.00 N ATOM 991 CA HIS A 64 -0.948 -18.804 12.881 1.00 0.00 C ATOM 992 C HIS A 64 -2.248 -18.291 13.492 1.00 0.00 C ATOM 993 O HIS A 64 -2.924 -17.442 12.913 1.00 0.00 O ATOM 994 CB HIS A 64 -1.254 -19.783 11.747 1.00 0.00 C ATOM 995 CG HIS A 64 -1.525 -19.114 10.435 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.429 -19.600 9.515 1.00 0.00 N ATOM 997 CD2 HIS A 64 -1.005 -17.988 9.891 1.00 0.00 C ATOM 998 CE1 HIS A 64 -2.453 -18.804 8.461 1.00 0.00 C ATOM 999 NE2 HIS A 64 -1.598 -17.817 8.664 1.00 0.00 N ATOM 0 H HIS A 64 0.074 -20.432 13.719 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.397 -17.954 12.478 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.412 -20.466 11.630 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.118 -20.387 12.023 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.262 -17.344 10.339 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.067 -18.937 7.583 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -1.409 -17.053 8.015 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.593 -18.814 14.664 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.813 -18.410 15.352 1.00 0.00 C ATOM 1009 C ASN A 65 -3.687 -16.989 15.896 1.00 0.00 C ATOM 1010 O ASN A 65 -4.688 -16.329 16.175 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.124 -19.379 16.495 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.612 -19.495 16.766 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -6.222 -18.592 17.339 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.203 -20.610 16.354 1.00 0.00 N ATOM 0 H ASN A 65 -2.045 -19.519 15.157 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.631 -18.433 14.631 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.724 -20.363 16.252 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.618 -19.043 17.400 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.202 -20.745 16.508 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.658 -21.332 15.883 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.450 -16.526 16.042 1.00 0.00 N ATOM 1022 CA TYR A 66 -2.192 -15.185 16.553 1.00 0.00 C ATOM 1023 C TYR A 66 -1.879 -14.219 15.415 1.00 0.00 C ATOM 1024 O TYR A 66 -2.347 -13.079 15.406 1.00 0.00 O ATOM 1025 CB TYR A 66 -1.031 -15.211 17.549 1.00 0.00 C ATOM 1026 CG TYR A 66 -1.251 -14.330 18.758 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -2.287 -14.582 19.647 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -0.420 -13.245 19.010 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -2.491 -13.779 20.753 1.00 0.00 C ATOM 1030 CE2 TYR A 66 -0.616 -12.437 20.114 1.00 0.00 C ATOM 1031 CZ TYR A 66 -1.653 -12.708 20.982 1.00 0.00 C ATOM 1032 OH TYR A 66 -1.852 -11.906 22.082 1.00 0.00 O ATOM 0 H TYR A 66 -1.611 -17.059 15.814 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.091 -14.838 17.062 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.871 -16.237 17.881 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.120 -14.895 17.041 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.945 -15.420 19.471 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.392 -13.030 18.332 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.302 -13.989 21.434 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.039 -11.598 20.296 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.928 -10.972 21.796 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.086 -14.682 14.456 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.709 -13.861 13.311 1.00 0.00 C ATOM 1044 C LEU A 67 -1.661 -14.089 12.141 1.00 0.00 C ATOM 1045 O LEU A 67 -2.077 -15.217 11.877 1.00 0.00 O ATOM 1046 CB LEU A 67 0.726 -14.173 12.884 1.00 0.00 C ATOM 1047 CG LEU A 67 1.570 -12.977 12.442 1.00 0.00 C ATOM 1048 CD1 LEU A 67 0.952 -12.308 11.224 1.00 0.00 C ATOM 1049 CD2 LEU A 67 1.720 -11.980 13.582 1.00 0.00 C ATOM 0 H LEU A 67 -0.691 -15.622 14.448 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.773 -12.815 13.609 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.233 -14.662 13.716 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.692 -14.891 12.064 1.00 0.00 H new ATOM 0 HG LEU A 67 2.561 -13.338 12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.567 -11.459 10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.897 -13.024 10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.052 -11.961 11.470 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.324 -11.135 13.250 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.736 -11.625 13.887 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.209 -12.465 14.427 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.000 -13.011 11.442 1.00 0.00 N ATOM 1062 CA ALA A 68 -2.899 -13.094 10.297 1.00 0.00 C ATOM 1063 C ALA A 68 -2.327 -12.350 9.095 1.00 0.00 C ATOM 1064 O ALA A 68 -1.641 -11.341 9.248 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.269 -12.539 10.660 1.00 0.00 C ATOM 0 H ALA A 68 -1.666 -12.070 11.648 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.005 -14.144 10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.930 -12.607 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.689 -13.116 11.484 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.171 -11.496 10.960 1.00 0.00 H new ATOM 1071 N GLU A 69 -2.614 -12.858 7.900 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.126 -12.241 6.672 1.00 0.00 C ATOM 1073 C GLU A 69 -3.015 -11.073 6.259 1.00 0.00 C ATOM 1074 O GLU A 69 -4.212 -11.242 6.026 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.066 -13.275 5.545 1.00 0.00 C ATOM 1076 CG GLU A 69 -3.410 -13.910 5.230 1.00 0.00 C ATOM 1077 CD GLU A 69 -3.291 -15.374 4.857 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -2.744 -15.669 3.773 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -3.744 -16.227 5.649 1.00 0.00 O ATOM 0 H GLU A 69 -3.181 -13.694 7.757 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.122 -11.861 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.680 -12.797 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.359 -14.058 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.066 -13.812 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.881 -13.367 4.410 1.00 0.00 H new ATOM 1086 N ARG A 70 -2.422 -9.887 6.170 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.160 -8.690 5.787 1.00 0.00 C ATOM 1088 C ARG A 70 -2.727 -8.202 4.407 1.00 0.00 C ATOM 1089 O ARG A 70 -1.563 -7.866 4.195 1.00 0.00 O ATOM 1090 CB ARG A 70 -2.948 -7.582 6.820 1.00 0.00 C ATOM 1091 CG ARG A 70 -3.922 -7.641 7.986 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.052 -6.291 8.672 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.162 -5.508 8.134 1.00 0.00 N ATOM 1094 CZ ARG A 70 -5.360 -4.225 8.415 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -4.528 -3.583 9.223 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -6.393 -3.581 7.886 1.00 0.00 N ATOM 0 H ARG A 70 -1.432 -9.730 6.358 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.219 -8.944 5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.930 -7.645 7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.043 -6.614 6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.900 -7.964 7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.584 -8.385 8.707 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.199 -6.441 9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.123 -5.733 8.553 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.821 -5.972 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.733 -4.074 9.631 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.683 -2.598 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.035 -4.071 7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.545 -2.596 8.102 1.00 0.00 H new