USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 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 Set 1.1: A 52 GLN : amide:sc= -4.54! K(o=-4.5!,f=-2.3) USER MOD Set 1.2: A 56 THR OG1 : rot 98:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.881 X(o=-0.88,f=-0.42) USER MOD Single : A 16 GLN : amide:sc=-0.00873 X(o=-0.0087,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.61 USER MOD Single : A 20 TYR OH : rot 141:sc= 0.514 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00269 X(o=-0.0027,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 129:sc= -0.2 (180deg=-1.21) USER MOD Single : A 42 GLN : amide:sc= -2.34! X(o=-2.3!,f=-2.7) USER MOD Single : A 45 SER OG : rot -58:sc= -0.0478 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -0.675 K(o=-0.67,f=-1.9) USER MOD Single : A 64 SER OG : rot -120:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.72) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc=-0.00491 K(o=-0.0049,f=-0.94) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 57:sc= -0.263! USER MOD Single : A 89 ASN : amide:sc= -4.02! C(o=-4!,f=-4!) USER MOD Single : A 104 CYS SG : rot -0:sc= 0.227 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.514 -2.311 6.293 1.00 0.00 N ATOM 135 CA LYS A 11 -9.004 -1.094 5.673 1.00 0.00 C ATOM 136 C LYS A 11 -8.423 -1.415 4.303 1.00 0.00 C ATOM 137 O LYS A 11 -9.002 -1.058 3.277 1.00 0.00 O ATOM 138 CB LYS A 11 -7.935 -0.456 6.559 1.00 0.00 C ATOM 139 CG LYS A 11 -8.403 -0.192 7.981 1.00 0.00 C ATOM 140 CD LYS A 11 -7.352 -0.605 8.998 1.00 0.00 C ATOM 141 CE LYS A 11 -7.980 -1.277 10.208 1.00 0.00 C ATOM 142 NZ LYS A 11 -8.780 -0.321 11.023 1.00 0.00 N ATOM 0 HA LYS A 11 -9.826 -0.388 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.062 -1.108 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.616 0.484 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.630 0.868 8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.327 -0.739 8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.640 -1.286 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.790 0.272 9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.620 -2.095 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.197 -1.715 10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.191 -0.819 11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.165 0.447 11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.543 0.078 10.440 1.00 0.00 H new ATOM 155 N TRP A 12 -7.285 -2.104 4.303 1.00 0.00 N ATOM 156 CA TRP A 12 -6.614 -2.506 3.067 1.00 0.00 C ATOM 157 C TRP A 12 -7.646 -2.934 2.023 1.00 0.00 C ATOM 158 O TRP A 12 -8.586 -3.666 2.336 1.00 0.00 O ATOM 159 CB TRP A 12 -5.630 -3.658 3.332 1.00 0.00 C ATOM 160 CG TRP A 12 -4.834 -3.530 4.606 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.762 -2.447 5.439 1.00 0.00 C ATOM 162 CD2 TRP A 12 -3.986 -4.531 5.185 1.00 0.00 C ATOM 163 NE1 TRP A 12 -3.934 -2.718 6.501 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.444 -3.990 6.367 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.638 -5.834 4.821 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.572 -4.706 7.183 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.772 -6.544 5.632 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.248 -5.979 6.801 1.00 0.00 C ATOM 0 H TRP A 12 -6.804 -2.398 5.153 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.054 -1.651 2.688 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.188 -4.594 3.361 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.938 -3.726 2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.282 -1.513 5.284 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.719 -2.077 7.265 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.038 -6.279 3.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.166 -4.272 8.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.495 -7.552 5.359 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.574 -6.560 7.414 1.00 0.00 H new ATOM 179 N ILE A 13 -7.487 -2.455 0.790 1.00 0.00 N ATOM 180 CA ILE A 13 -8.435 -2.779 -0.277 1.00 0.00 C ATOM 181 C ILE A 13 -7.742 -3.286 -1.542 1.00 0.00 C ATOM 182 O ILE A 13 -6.856 -2.630 -2.082 1.00 0.00 O ATOM 183 CB ILE A 13 -9.295 -1.554 -0.645 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.046 -0.402 0.345 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.763 -1.945 -0.681 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.304 0.299 0.825 1.00 0.00 C ATOM 0 H ILE A 13 -6.719 -1.847 0.506 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.067 -3.576 0.115 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.010 -1.203 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.511 -0.793 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.394 0.332 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.365 -1.075 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.913 -2.726 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.065 -2.315 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.035 1.096 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.832 0.724 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.950 -0.419 1.331 1.00 0.00 H new ATOM 198 N ASN A 14 -8.171 -4.454 -2.018 1.00 0.00 N ATOM 199 CA ASN A 14 -7.608 -5.053 -3.228 1.00 0.00 C ATOM 200 C ASN A 14 -8.558 -4.888 -4.410 1.00 0.00 C ATOM 201 O ASN A 14 -9.774 -4.803 -4.233 1.00 0.00 O ATOM 202 CB ASN A 14 -7.307 -6.535 -3.001 1.00 0.00 C ATOM 203 CG ASN A 14 -6.965 -7.261 -4.289 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.760 -8.050 -4.800 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.777 -6.997 -4.819 1.00 0.00 N ATOM 0 H ASN A 14 -8.910 -5.006 -1.582 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.677 -4.535 -3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.476 -6.631 -2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.171 -7.011 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.491 -7.455 -5.684 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.150 -6.336 -4.361 1.00 0.00 H new ATOM 212 N PHE A 15 -7.998 -4.837 -5.617 1.00 0.00 N ATOM 213 CA PHE A 15 -8.798 -4.676 -6.825 1.00 0.00 C ATOM 214 C PHE A 15 -8.448 -5.751 -7.856 1.00 0.00 C ATOM 215 O PHE A 15 -8.415 -6.938 -7.533 1.00 0.00 O ATOM 216 CB PHE A 15 -8.588 -3.279 -7.416 1.00 0.00 C ATOM 217 CG PHE A 15 -8.466 -2.199 -6.380 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.592 -1.558 -5.890 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.223 -1.825 -5.897 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.480 -0.563 -4.938 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.104 -0.832 -4.945 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.234 -0.200 -4.463 1.00 0.00 C ATOM 0 H PHE A 15 -6.994 -4.905 -5.782 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.849 -4.790 -6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.687 -3.285 -8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.422 -3.044 -8.077 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.568 -1.839 -6.256 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.336 -2.316 -6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.365 -0.069 -4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.128 -0.550 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.144 0.576 -3.717 1.00 0.00 H new ATOM 232 N GLN A 16 -8.191 -5.330 -9.095 1.00 0.00 N ATOM 233 CA GLN A 16 -7.846 -6.260 -10.165 1.00 0.00 C ATOM 234 C GLN A 16 -6.742 -7.213 -9.723 1.00 0.00 C ATOM 235 O GLN A 16 -6.841 -8.425 -9.919 1.00 0.00 O ATOM 236 CB GLN A 16 -7.406 -5.492 -11.413 1.00 0.00 C ATOM 237 CG GLN A 16 -8.403 -4.437 -11.861 1.00 0.00 C ATOM 238 CD GLN A 16 -9.574 -5.027 -12.623 1.00 0.00 C ATOM 239 OE1 GLN A 16 -9.597 -5.017 -13.853 1.00 0.00 O ATOM 240 NE2 GLN A 16 -10.555 -5.545 -11.892 1.00 0.00 N ATOM 0 H GLN A 16 -8.216 -4.351 -9.380 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.733 -6.848 -10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.447 -5.013 -11.215 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.247 -6.199 -12.227 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.775 -3.901 -10.988 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.895 -3.707 -12.491 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.494 -5.532 -10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.369 -5.956 -12.349 1.00 0.00 H new ATOM 249 N ARG A 17 -5.692 -6.661 -9.121 1.00 0.00 N ATOM 250 CA ARG A 17 -4.574 -7.470 -8.647 1.00 0.00 C ATOM 251 C ARG A 17 -3.685 -6.681 -7.694 1.00 0.00 C ATOM 252 O ARG A 17 -2.698 -7.203 -7.175 1.00 0.00 O ATOM 253 CB ARG A 17 -3.750 -7.988 -9.828 1.00 0.00 C ATOM 254 CG ARG A 17 -3.476 -6.934 -10.889 1.00 0.00 C ATOM 255 CD ARG A 17 -1.991 -6.634 -11.005 1.00 0.00 C ATOM 256 NE ARG A 17 -1.723 -5.559 -11.957 1.00 0.00 N ATOM 257 CZ ARG A 17 -1.512 -4.295 -11.601 1.00 0.00 C ATOM 258 NH1 ARG A 17 -1.540 -3.949 -10.321 1.00 0.00 N ATOM 259 NH2 ARG A 17 -1.272 -3.376 -12.527 1.00 0.00 N ATOM 0 H ARG A 17 -5.592 -5.660 -8.950 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.986 -8.319 -8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.800 -8.373 -9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.275 -8.825 -10.287 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.855 -7.278 -11.851 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.015 -6.019 -10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.599 -6.357 -10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.462 -7.535 -11.317 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.696 -5.791 -12.950 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.724 -4.653 -9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.378 -2.979 -10.051 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.249 -3.639 -13.512 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.110 -2.407 -12.254 1.00 0.00 H new ATOM 273 N LYS A 18 -4.046 -5.425 -7.458 1.00 0.00 N ATOM 274 CA LYS A 18 -3.295 -4.571 -6.562 1.00 0.00 C ATOM 275 C LYS A 18 -4.135 -4.239 -5.341 1.00 0.00 C ATOM 276 O LYS A 18 -5.360 -4.302 -5.384 1.00 0.00 O ATOM 277 CB LYS A 18 -2.883 -3.286 -7.275 1.00 0.00 C ATOM 278 CG LYS A 18 -4.006 -2.270 -7.377 1.00 0.00 C ATOM 279 CD LYS A 18 -3.903 -1.450 -8.652 1.00 0.00 C ATOM 280 CE LYS A 18 -3.984 0.040 -8.361 1.00 0.00 C ATOM 281 NZ LYS A 18 -5.250 0.637 -8.869 1.00 0.00 N ATOM 0 H LYS A 18 -4.860 -4.979 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.395 -5.099 -6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.043 -2.837 -6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.532 -3.531 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.967 -2.784 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.977 -1.606 -6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.962 -1.673 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.704 -1.733 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.911 0.204 -7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.134 0.546 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.266 1.654 -8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.308 0.503 -9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.061 0.172 -8.413 1.00 0.00 H new ATOM 294 N CYS A 19 -3.473 -3.886 -4.256 1.00 0.00 N ATOM 295 CA CYS A 19 -4.164 -3.549 -3.027 1.00 0.00 C ATOM 296 C CYS A 19 -3.692 -2.208 -2.488 1.00 0.00 C ATOM 297 O CYS A 19 -2.634 -1.704 -2.866 1.00 0.00 O ATOM 298 CB CYS A 19 -3.956 -4.646 -1.977 1.00 0.00 C ATOM 299 SG CYS A 19 -4.952 -4.437 -0.463 1.00 0.00 S ATOM 0 H CYS A 19 -2.456 -3.825 -4.201 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.229 -3.473 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.195 -5.611 -2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.901 -4.675 -1.703 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.705 -5.415 0.357 1.00 0.00 H new ATOM 304 N TYR A 20 -4.486 -1.653 -1.591 1.00 0.00 N ATOM 305 CA TYR A 20 -4.188 -0.384 -0.961 1.00 0.00 C ATOM 306 C TYR A 20 -4.199 -0.572 0.538 1.00 0.00 C ATOM 307 O TYR A 20 -4.851 -1.473 1.060 1.00 0.00 O ATOM 308 CB TYR A 20 -5.209 0.691 -1.361 1.00 0.00 C ATOM 309 CG TYR A 20 -4.897 1.397 -2.665 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.272 0.734 -3.715 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.231 2.734 -2.844 1.00 0.00 C ATOM 312 CE1 TYR A 20 -3.989 1.381 -4.902 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.952 3.389 -4.028 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.331 2.709 -5.054 1.00 0.00 C ATOM 315 OH TYR A 20 -4.052 3.357 -6.235 1.00 0.00 O ATOM 0 H TYR A 20 -5.361 -2.074 -1.278 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.206 -0.047 -1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.193 0.229 -1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.267 1.433 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.003 -0.306 -3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.718 3.271 -2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.503 0.850 -5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.219 4.428 -4.149 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.796 3.951 -6.466 1.00 0.00 H new ATOM 325 N TYR A 21 -3.462 0.269 1.215 1.00 0.00 N ATOM 326 CA TYR A 21 -3.356 0.209 2.657 1.00 0.00 C ATOM 327 C TYR A 21 -3.940 1.455 3.272 1.00 0.00 C ATOM 328 O TYR A 21 -3.416 2.535 3.076 1.00 0.00 O ATOM 329 CB TYR A 21 -1.893 0.097 3.086 1.00 0.00 C ATOM 330 CG TYR A 21 -1.346 -1.306 3.071 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.491 -2.131 4.173 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.675 -1.800 1.961 1.00 0.00 C ATOM 333 CE1 TYR A 21 -0.985 -3.412 4.175 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.166 -3.083 1.950 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.322 -3.886 3.061 1.00 0.00 C ATOM 336 OH TYR A 21 0.185 -5.166 3.058 1.00 0.00 O ATOM 0 H TYR A 21 -2.916 1.017 0.786 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.904 -0.669 2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.285 0.718 2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.790 0.503 4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.010 -1.764 5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.549 -1.171 1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.106 -4.042 5.044 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.351 -3.456 1.078 1.00 0.00 H new ATOM 0 HH TYR A 21 0.621 -5.343 2.198 1.00 0.00 H new ATOM 346 N PHE A 22 -5.003 1.308 4.030 1.00 0.00 N ATOM 347 CA PHE A 22 -5.611 2.445 4.689 1.00 0.00 C ATOM 348 C PHE A 22 -5.659 2.158 6.181 1.00 0.00 C ATOM 349 O PHE A 22 -6.718 2.208 6.806 1.00 0.00 O ATOM 350 CB PHE A 22 -7.020 2.712 4.144 1.00 0.00 C ATOM 351 CG PHE A 22 -7.078 3.027 2.669 1.00 0.00 C ATOM 352 CD1 PHE A 22 -5.995 3.588 2.015 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.227 2.763 1.938 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.053 3.881 0.664 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.292 3.053 0.585 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.201 3.614 -0.052 1.00 0.00 C ATOM 0 H PHE A 22 -5.464 0.416 4.206 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.018 3.339 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.642 1.838 4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.457 3.544 4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.091 3.800 2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.083 2.325 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.199 4.319 0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.193 2.841 0.029 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.247 3.842 -1.107 1.00 0.00 H new ATOM 366 N GLY A 23 -4.495 1.832 6.738 1.00 0.00 N ATOM 367 CA GLY A 23 -4.411 1.506 8.144 1.00 0.00 C ATOM 368 C GLY A 23 -4.185 2.730 9.006 1.00 0.00 C ATOM 369 O GLY A 23 -3.956 3.821 8.488 1.00 0.00 O ATOM 0 H GLY A 23 -3.608 1.789 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.331 1.010 8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.598 0.798 8.302 1.00 0.00 H new ATOM 373 N LYS A 24 -4.257 2.556 10.322 1.00 0.00 N ATOM 374 CA LYS A 24 -4.066 3.666 11.249 1.00 0.00 C ATOM 375 C LYS A 24 -2.698 3.603 11.921 1.00 0.00 C ATOM 376 O LYS A 24 -2.184 2.522 12.208 1.00 0.00 O ATOM 377 CB LYS A 24 -5.167 3.665 12.309 1.00 0.00 C ATOM 378 CG LYS A 24 -5.251 2.368 13.098 1.00 0.00 C ATOM 379 CD LYS A 24 -6.218 2.489 14.265 1.00 0.00 C ATOM 380 CE LYS A 24 -5.489 2.806 15.561 1.00 0.00 C ATOM 381 NZ LYS A 24 -6.178 3.871 16.340 1.00 0.00 N ATOM 0 H LYS A 24 -4.446 1.659 10.770 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.118 4.591 10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.995 4.490 13.000 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.126 3.849 11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.572 1.560 12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.261 2.102 13.470 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.947 3.272 14.055 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.773 1.558 14.377 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.416 1.903 16.167 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.470 3.122 15.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.649 4.057 17.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.225 4.741 15.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.142 3.560 16.577 1.00 0.00 H new ATOM 436 N GLN A 28 3.651 10.914 10.741 1.00 0.00 N ATOM 437 CA GLN A 28 4.056 11.916 9.758 1.00 0.00 C ATOM 438 C GLN A 28 4.079 11.312 8.360 1.00 0.00 C ATOM 439 O GLN A 28 3.806 10.125 8.184 1.00 0.00 O ATOM 440 CB GLN A 28 5.437 12.479 10.101 1.00 0.00 C ATOM 441 CG GLN A 28 5.390 13.848 10.760 1.00 0.00 C ATOM 442 CD GLN A 28 6.160 13.893 12.065 1.00 0.00 C ATOM 443 OE1 GLN A 28 5.608 14.229 13.113 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.443 13.553 12.008 1.00 0.00 N ATOM 0 HA GLN A 28 3.329 12.728 9.782 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.949 11.783 10.765 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.030 12.544 9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.799 14.591 10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.352 14.123 10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.859 13.281 11.118 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.012 13.564 12.855 1.00 0.00 H new ATOM 453 N TRP A 29 4.410 12.131 7.367 1.00 0.00 N ATOM 454 CA TRP A 29 4.469 11.662 5.989 1.00 0.00 C ATOM 455 C TRP A 29 5.596 10.656 5.809 1.00 0.00 C ATOM 456 O TRP A 29 5.392 9.566 5.275 1.00 0.00 O ATOM 457 CB TRP A 29 4.658 12.827 5.018 1.00 0.00 C ATOM 458 CG TRP A 29 4.657 12.382 3.589 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.571 12.251 2.772 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.795 11.989 2.814 1.00 0.00 C ATOM 461 NE1 TRP A 29 3.964 11.797 1.537 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.324 11.632 1.537 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.166 11.904 3.076 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.174 11.195 0.525 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.010 11.472 2.070 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.512 11.122 0.808 1.00 0.00 C ATOM 0 H TRP A 29 4.640 13.117 7.490 1.00 0.00 H new ATOM 0 HA TRP A 29 3.520 11.175 5.767 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.862 13.556 5.170 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.599 13.332 5.238 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.553 12.472 3.055 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.344 11.613 0.748 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.558 12.171 4.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.792 10.923 -0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.071 11.403 2.260 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.197 10.788 0.043 1.00 0.00 H new ATOM 477 N VAL A 30 6.784 11.031 6.264 1.00 0.00 N ATOM 478 CA VAL A 30 7.952 10.164 6.165 1.00 0.00 C ATOM 479 C VAL A 30 7.671 8.817 6.813 1.00 0.00 C ATOM 480 O VAL A 30 8.192 7.786 6.389 1.00 0.00 O ATOM 481 CB VAL A 30 9.183 10.800 6.832 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.743 11.909 5.961 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.825 11.330 8.212 1.00 0.00 C ATOM 0 H VAL A 30 6.965 11.932 6.706 1.00 0.00 H new ATOM 0 HA VAL A 30 8.164 10.024 5.105 1.00 0.00 H new ATOM 0 HB VAL A 30 9.950 10.034 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.614 12.349 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.035 11.500 4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.983 12.676 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.707 11.777 8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.043 12.083 8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.468 10.510 8.835 1.00 0.00 H new ATOM 493 N HIS A 31 6.834 8.836 7.841 1.00 0.00 N ATOM 494 CA HIS A 31 6.469 7.616 8.544 1.00 0.00 C ATOM 495 C HIS A 31 5.547 6.764 7.681 1.00 0.00 C ATOM 496 O HIS A 31 5.527 5.538 7.800 1.00 0.00 O ATOM 497 CB HIS A 31 5.789 7.947 9.874 1.00 0.00 C ATOM 498 CG HIS A 31 6.369 7.206 11.039 1.00 0.00 C ATOM 499 ND1 HIS A 31 5.760 6.110 11.614 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.512 7.408 11.738 1.00 0.00 C ATOM 501 CE1 HIS A 31 6.501 5.671 12.615 1.00 0.00 C ATOM 502 NE2 HIS A 31 7.570 6.440 12.711 1.00 0.00 N ATOM 0 H HIS A 31 6.396 9.682 8.206 1.00 0.00 H new ATOM 0 HA HIS A 31 7.378 7.051 8.750 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.869 9.018 10.058 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.727 7.715 9.798 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.241 8.185 11.563 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.272 4.826 13.248 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.318 6.333 13.396 1.00 0.00 H new ATOM 511 N ALA A 32 4.786 7.420 6.806 1.00 0.00 N ATOM 512 CA ALA A 32 3.868 6.714 5.924 1.00 0.00 C ATOM 513 C ALA A 32 4.630 5.940 4.858 1.00 0.00 C ATOM 514 O ALA A 32 4.383 4.753 4.651 1.00 0.00 O ATOM 515 CB ALA A 32 2.896 7.692 5.279 1.00 0.00 C ATOM 0 H ALA A 32 4.789 8.434 6.692 1.00 0.00 H new ATOM 0 HA ALA A 32 3.300 6.001 6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.216 7.149 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.323 8.200 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.452 8.428 4.698 1.00 0.00 H new ATOM 521 N ARG A 33 5.572 6.611 4.198 1.00 0.00 N ATOM 522 CA ARG A 33 6.380 5.972 3.169 1.00 0.00 C ATOM 523 C ARG A 33 7.180 4.823 3.767 1.00 0.00 C ATOM 524 O ARG A 33 7.342 3.775 3.142 1.00 0.00 O ATOM 525 CB ARG A 33 7.315 6.984 2.500 1.00 0.00 C ATOM 526 CG ARG A 33 8.197 7.742 3.476 1.00 0.00 C ATOM 527 CD ARG A 33 9.625 7.220 3.458 1.00 0.00 C ATOM 528 NE ARG A 33 10.523 8.109 2.726 1.00 0.00 N ATOM 529 CZ ARG A 33 11.405 8.911 3.314 1.00 0.00 C ATOM 530 NH1 ARG A 33 11.508 8.936 4.636 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.187 9.691 2.578 1.00 0.00 N ATOM 0 H ARG A 33 5.792 7.594 4.359 1.00 0.00 H new ATOM 0 HA ARG A 33 5.711 5.575 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.948 6.461 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.717 7.699 1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.193 8.802 3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.788 7.652 4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.982 7.106 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.644 6.230 3.002 1.00 0.00 H new ATOM 0 HE ARG A 33 10.471 8.115 1.707 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.909 8.338 5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.186 9.553 5.083 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.111 9.675 1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.864 10.306 3.029 1.00 0.00 H new ATOM 545 N TYR A 34 7.661 5.019 4.992 1.00 0.00 N ATOM 546 CA TYR A 34 8.421 3.986 5.679 1.00 0.00 C ATOM 547 C TYR A 34 7.526 2.785 5.936 1.00 0.00 C ATOM 548 O TYR A 34 7.970 1.638 5.877 1.00 0.00 O ATOM 549 CB TYR A 34 8.985 4.518 6.998 1.00 0.00 C ATOM 550 CG TYR A 34 10.493 4.457 7.080 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.146 3.256 7.333 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.266 5.599 6.905 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.525 3.196 7.410 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.644 5.546 6.979 1.00 0.00 C ATOM 555 CZ TYR A 34 13.269 4.343 7.231 1.00 0.00 C ATOM 556 OH TYR A 34 14.642 4.287 7.306 1.00 0.00 O ATOM 0 H TYR A 34 7.537 5.880 5.525 1.00 0.00 H new ATOM 0 HA TYR A 34 9.258 3.685 5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.664 5.551 7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.561 3.944 7.822 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.567 2.355 7.472 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.781 6.544 6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.017 2.255 7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.230 6.443 6.840 1.00 0.00 H new ATOM 0 HH TYR A 34 15.015 5.181 7.156 1.00 0.00 H new ATOM 566 N ALA A 35 6.250 3.061 6.195 1.00 0.00 N ATOM 567 CA ALA A 35 5.277 2.008 6.431 1.00 0.00 C ATOM 568 C ALA A 35 5.068 1.210 5.153 1.00 0.00 C ATOM 569 O ALA A 35 4.921 -0.012 5.184 1.00 0.00 O ATOM 570 CB ALA A 35 3.960 2.596 6.919 1.00 0.00 C ATOM 0 H ALA A 35 5.870 4.006 6.246 1.00 0.00 H new ATOM 0 HA ALA A 35 5.655 1.342 7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.244 1.792 7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.126 3.138 7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.566 3.279 6.167 1.00 0.00 H new ATOM 576 N CYS A 36 5.078 1.919 4.026 1.00 0.00 N ATOM 577 CA CYS A 36 4.914 1.294 2.727 1.00 0.00 C ATOM 578 C CYS A 36 5.992 0.248 2.518 1.00 0.00 C ATOM 579 O CYS A 36 5.711 -0.892 2.152 1.00 0.00 O ATOM 580 CB CYS A 36 5.000 2.342 1.619 1.00 0.00 C ATOM 581 SG CYS A 36 4.095 3.882 1.972 1.00 0.00 S ATOM 0 H CYS A 36 5.199 2.931 3.993 1.00 0.00 H new ATOM 0 HA CYS A 36 3.934 0.818 2.691 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.048 2.583 1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.613 1.910 0.696 1.00 0.00 H new ATOM 586 N ASP A 37 7.232 0.653 2.762 1.00 0.00 N ATOM 587 CA ASP A 37 8.372 -0.238 2.611 1.00 0.00 C ATOM 588 C ASP A 37 8.193 -1.484 3.471 1.00 0.00 C ATOM 589 O ASP A 37 8.615 -2.578 3.094 1.00 0.00 O ATOM 590 CB ASP A 37 9.665 0.482 2.998 1.00 0.00 C ATOM 591 CG ASP A 37 10.619 0.627 1.827 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.282 1.361 0.875 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.702 0.006 1.864 1.00 0.00 O ATOM 0 H ASP A 37 7.473 1.596 3.066 1.00 0.00 H new ATOM 0 HA ASP A 37 8.435 -0.540 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.424 1.470 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.158 -0.068 3.799 1.00 0.00 H new ATOM 598 N ASP A 38 7.558 -1.311 4.627 1.00 0.00 N ATOM 599 CA ASP A 38 7.311 -2.420 5.542 1.00 0.00 C ATOM 600 C ASP A 38 6.251 -3.361 4.977 1.00 0.00 C ATOM 601 O ASP A 38 6.226 -4.549 5.300 1.00 0.00 O ATOM 602 CB ASP A 38 6.869 -1.893 6.908 1.00 0.00 C ATOM 603 CG ASP A 38 8.045 -1.525 7.793 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.759 -2.444 8.245 1.00 0.00 O ATOM 605 OD2 ASP A 38 8.249 -0.316 8.034 1.00 0.00 O ATOM 0 H ASP A 38 7.205 -0.411 4.952 1.00 0.00 H new ATOM 0 HA ASP A 38 8.240 -2.977 5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.234 -1.018 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.264 -2.649 7.408 1.00 0.00 H new ATOM 610 N MET A 39 5.382 -2.820 4.126 1.00 0.00 N ATOM 611 CA MET A 39 4.323 -3.607 3.508 1.00 0.00 C ATOM 612 C MET A 39 4.722 -4.010 2.094 1.00 0.00 C ATOM 613 O MET A 39 4.017 -4.765 1.425 1.00 0.00 O ATOM 614 CB MET A 39 3.016 -2.812 3.476 1.00 0.00 C ATOM 615 CG MET A 39 2.514 -2.410 4.853 1.00 0.00 C ATOM 616 SD MET A 39 2.100 -3.831 5.884 1.00 0.00 S ATOM 617 CE MET A 39 3.400 -3.747 7.113 1.00 0.00 C ATOM 0 H MET A 39 5.392 -1.838 3.850 1.00 0.00 H new ATOM 0 HA MET A 39 4.171 -4.508 4.103 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.161 -1.914 2.875 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.250 -3.408 2.979 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.276 -1.813 5.353 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.634 -1.776 4.744 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.961 -3.789 8.110 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.081 -4.588 6.980 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.950 -2.813 6.998 1.00 0.00 H new ATOM 627 N GLU A 40 5.867 -3.492 1.656 1.00 0.00 N ATOM 628 CA GLU A 40 6.399 -3.775 0.326 1.00 0.00 C ATOM 629 C GLU A 40 5.527 -3.156 -0.760 1.00 0.00 C ATOM 630 O GLU A 40 5.156 -3.821 -1.728 1.00 0.00 O ATOM 631 CB GLU A 40 6.516 -5.281 0.103 1.00 0.00 C ATOM 632 CG GLU A 40 7.749 -5.900 0.740 1.00 0.00 C ATOM 633 CD GLU A 40 8.734 -6.426 -0.286 1.00 0.00 C ATOM 634 OE1 GLU A 40 9.125 -5.651 -1.185 1.00 0.00 O ATOM 635 OE2 GLU A 40 9.114 -7.611 -0.191 1.00 0.00 O ATOM 0 H GLU A 40 6.450 -2.866 2.211 1.00 0.00 H new ATOM 0 HA GLU A 40 7.392 -3.329 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.627 -5.769 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.533 -5.480 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.243 -5.156 1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.444 -6.715 1.396 1.00 0.00 H new ATOM 642 N GLY A 41 5.207 -1.880 -0.593 1.00 0.00 N ATOM 643 CA GLY A 41 4.383 -1.191 -1.567 1.00 0.00 C ATOM 644 C GLY A 41 4.941 0.157 -1.968 1.00 0.00 C ATOM 645 O GLY A 41 6.083 0.260 -2.419 1.00 0.00 O ATOM 0 H GLY A 41 5.503 -1.310 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.282 -1.815 -2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.382 -1.056 -1.157 1.00 0.00 H new ATOM 649 N GLN A 42 4.121 1.186 -1.827 1.00 0.00 N ATOM 650 CA GLN A 42 4.502 2.541 -2.196 1.00 0.00 C ATOM 651 C GLN A 42 3.568 3.517 -1.523 1.00 0.00 C ATOM 652 O GLN A 42 2.468 3.143 -1.134 1.00 0.00 O ATOM 653 CB GLN A 42 4.411 2.726 -3.711 1.00 0.00 C ATOM 654 CG GLN A 42 4.607 4.165 -4.168 1.00 0.00 C ATOM 655 CD GLN A 42 4.285 4.359 -5.635 1.00 0.00 C ATOM 656 OE1 GLN A 42 4.794 3.641 -6.496 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.433 5.334 -5.928 1.00 0.00 N ATOM 0 H GLN A 42 3.175 1.107 -1.455 1.00 0.00 H new ATOM 0 HA GLN A 42 5.529 2.720 -1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.162 2.097 -4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.437 2.376 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.974 4.821 -3.571 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.639 4.463 -3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.035 5.905 -5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.176 5.512 -6.899 1.00 0.00 H new ATOM 666 N LEU A 43 3.965 4.769 -1.396 1.00 0.00 N ATOM 667 CA LEU A 43 3.066 5.709 -0.786 1.00 0.00 C ATOM 668 C LEU A 43 2.013 6.044 -1.827 1.00 0.00 C ATOM 669 O LEU A 43 2.305 6.643 -2.862 1.00 0.00 O ATOM 670 CB LEU A 43 3.829 6.966 -0.346 1.00 0.00 C ATOM 671 CG LEU A 43 3.272 7.732 0.864 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.617 6.800 1.859 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.382 8.516 1.540 1.00 0.00 C ATOM 0 H LEU A 43 4.866 5.141 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 43 2.601 5.291 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.856 6.678 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.869 7.652 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 43 2.510 8.422 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.235 7.377 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.794 6.273 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.350 6.077 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.977 9.055 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.159 7.830 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.809 9.227 0.832 1.00 0.00 H new ATOM 685 N VAL A 44 0.796 5.601 -1.531 1.00 0.00 N ATOM 686 CA VAL A 44 -0.371 5.767 -2.395 1.00 0.00 C ATOM 687 C VAL A 44 -0.101 6.606 -3.632 1.00 0.00 C ATOM 688 O VAL A 44 0.028 6.077 -4.736 1.00 0.00 O ATOM 689 CB VAL A 44 -1.539 6.382 -1.620 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.687 5.392 -1.534 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.082 6.811 -0.236 1.00 0.00 C ATOM 0 H VAL A 44 0.587 5.105 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.626 4.763 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.892 7.267 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.513 5.839 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.021 5.134 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.352 4.491 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.922 7.247 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.709 5.944 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.287 7.551 -0.328 1.00 0.00 H new ATOM 701 N SER A 45 -0.046 7.912 -3.441 1.00 0.00 N ATOM 702 CA SER A 45 0.179 8.840 -4.546 1.00 0.00 C ATOM 703 C SER A 45 -1.012 8.798 -5.495 1.00 0.00 C ATOM 704 O SER A 45 -0.865 8.574 -6.696 1.00 0.00 O ATOM 705 CB SER A 45 1.464 8.485 -5.293 1.00 0.00 C ATOM 706 OG SER A 45 1.690 9.376 -6.369 1.00 0.00 O ATOM 0 H SER A 45 -0.154 8.359 -2.531 1.00 0.00 H new ATOM 0 HA SER A 45 0.286 9.848 -4.146 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.309 8.518 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.399 7.464 -5.669 1.00 0.00 H new ATOM 0 HG SER A 45 0.926 9.349 -6.982 1.00 0.00 H new ATOM 712 N ILE A 46 -2.193 8.997 -4.925 1.00 0.00 N ATOM 713 CA ILE A 46 -3.441 8.969 -5.681 1.00 0.00 C ATOM 714 C ILE A 46 -3.366 9.839 -6.930 1.00 0.00 C ATOM 715 O ILE A 46 -2.804 10.934 -6.907 1.00 0.00 O ATOM 716 CB ILE A 46 -4.647 9.425 -4.826 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.187 9.979 -3.469 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.628 8.277 -4.638 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.876 8.914 -2.436 1.00 0.00 C ATOM 0 H ILE A 46 -2.314 9.182 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.588 7.930 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.155 10.230 -5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.298 10.592 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.963 10.635 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.471 8.614 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.989 7.944 -5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.128 7.450 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.559 9.389 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.768 8.315 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.077 8.271 -2.806 1.00 0.00 H new ATOM 731 N HIS A 47 -3.944 9.338 -8.018 1.00 0.00 N ATOM 732 CA HIS A 47 -3.956 10.057 -9.285 1.00 0.00 C ATOM 733 C HIS A 47 -5.360 10.075 -9.880 1.00 0.00 C ATOM 734 O HIS A 47 -5.594 10.680 -10.925 1.00 0.00 O ATOM 735 CB HIS A 47 -2.982 9.411 -10.271 1.00 0.00 C ATOM 736 CG HIS A 47 -3.078 7.917 -10.316 1.00 0.00 C ATOM 737 ND1 HIS A 47 -3.962 7.244 -11.134 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.395 6.964 -9.639 1.00 0.00 C ATOM 739 CE1 HIS A 47 -3.819 5.943 -10.957 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.874 5.746 -10.056 1.00 0.00 N ATOM 0 H HIS A 47 -4.412 8.432 -8.046 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.643 11.084 -9.097 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.170 9.809 -11.268 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.964 9.694 -10.002 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.618 7.130 -8.907 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.380 5.171 -11.463 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.552 4.837 -9.724 1.00 0.00 H new ATOM 749 N SER A 48 -6.293 9.410 -9.202 1.00 0.00 N ATOM 750 CA SER A 48 -7.673 9.353 -9.657 1.00 0.00 C ATOM 751 C SER A 48 -8.595 9.983 -8.626 1.00 0.00 C ATOM 752 O SER A 48 -8.629 9.553 -7.474 1.00 0.00 O ATOM 753 CB SER A 48 -8.088 7.903 -9.916 1.00 0.00 C ATOM 754 OG SER A 48 -7.852 7.539 -11.265 1.00 0.00 O ATOM 0 H SER A 48 -6.114 8.904 -8.335 1.00 0.00 H new ATOM 0 HA SER A 48 -7.754 9.913 -10.589 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.533 7.239 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.145 7.776 -9.681 1.00 0.00 H new ATOM 0 HG SER A 48 -8.124 6.608 -11.405 1.00 0.00 H new ATOM 760 N PRO A 49 -9.360 11.015 -9.024 1.00 0.00 N ATOM 761 CA PRO A 49 -10.287 11.694 -8.118 1.00 0.00 C ATOM 762 C PRO A 49 -11.112 10.698 -7.315 1.00 0.00 C ATOM 763 O PRO A 49 -11.512 10.972 -6.184 1.00 0.00 O ATOM 764 CB PRO A 49 -11.171 12.501 -9.067 1.00 0.00 C ATOM 765 CG PRO A 49 -10.292 12.790 -10.236 1.00 0.00 C ATOM 766 CD PRO A 49 -9.388 11.595 -10.381 1.00 0.00 C ATOM 0 HA PRO A 49 -9.779 12.309 -7.375 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.055 11.936 -9.364 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.523 13.420 -8.598 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.882 12.945 -11.139 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.714 13.699 -10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.775 10.886 -11.112 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.391 11.884 -10.714 1.00 0.00 H new ATOM 774 N GLU A 50 -11.348 9.531 -7.908 1.00 0.00 N ATOM 775 CA GLU A 50 -12.106 8.481 -7.249 1.00 0.00 C ATOM 776 C GLU A 50 -11.282 7.824 -6.155 1.00 0.00 C ATOM 777 O GLU A 50 -11.769 7.599 -5.049 1.00 0.00 O ATOM 778 CB GLU A 50 -12.549 7.419 -8.252 1.00 0.00 C ATOM 779 CG GLU A 50 -13.236 6.232 -7.605 1.00 0.00 C ATOM 780 CD GLU A 50 -13.266 5.013 -8.504 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.281 4.244 -8.496 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.275 4.825 -9.217 1.00 0.00 O ATOM 0 H GLU A 50 -11.023 9.292 -8.845 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.987 8.943 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.227 7.872 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.679 7.068 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.722 5.981 -6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.257 6.508 -7.340 1.00 0.00 H new ATOM 789 N GLU A 51 -10.035 7.503 -6.481 1.00 0.00 N ATOM 790 CA GLU A 51 -9.149 6.858 -5.534 1.00 0.00 C ATOM 791 C GLU A 51 -8.901 7.759 -4.333 1.00 0.00 C ATOM 792 O GLU A 51 -8.990 7.317 -3.189 1.00 0.00 O ATOM 793 CB GLU A 51 -7.828 6.487 -6.208 1.00 0.00 C ATOM 794 CG GLU A 51 -7.906 5.219 -7.042 1.00 0.00 C ATOM 795 CD GLU A 51 -6.787 5.124 -8.062 1.00 0.00 C ATOM 796 OE1 GLU A 51 -5.615 5.319 -7.678 1.00 0.00 O ATOM 797 OE2 GLU A 51 -7.084 4.852 -9.244 1.00 0.00 O ATOM 0 H GLU A 51 -9.620 7.681 -7.395 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.627 5.944 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.511 7.312 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.062 6.362 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.867 4.352 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.866 5.185 -7.557 1.00 0.00 H new ATOM 804 N GLN A 52 -8.605 9.028 -4.598 1.00 0.00 N ATOM 805 CA GLN A 52 -8.364 9.986 -3.531 1.00 0.00 C ATOM 806 C GLN A 52 -9.592 10.091 -2.643 1.00 0.00 C ATOM 807 O GLN A 52 -9.486 10.104 -1.422 1.00 0.00 O ATOM 808 CB GLN A 52 -7.986 11.360 -4.103 1.00 0.00 C ATOM 809 CG GLN A 52 -9.166 12.166 -4.635 1.00 0.00 C ATOM 810 CD GLN A 52 -9.947 12.925 -3.566 1.00 0.00 C ATOM 811 OE1 GLN A 52 -11.042 13.419 -3.833 1.00 0.00 O ATOM 812 NE2 GLN A 52 -9.404 13.028 -2.355 1.00 0.00 N ATOM 0 H GLN A 52 -8.527 9.413 -5.539 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.525 9.635 -2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.487 11.939 -3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.265 11.219 -4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.799 12.879 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.847 11.491 -5.154 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.494 12.607 -2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.898 13.528 -1.616 1.00 0.00 H new ATOM 821 N ASP A 53 -10.760 10.141 -3.276 1.00 0.00 N ATOM 822 CA ASP A 53 -12.023 10.219 -2.563 1.00 0.00 C ATOM 823 C ASP A 53 -12.264 8.929 -1.796 1.00 0.00 C ATOM 824 O ASP A 53 -12.835 8.932 -0.707 1.00 0.00 O ATOM 825 CB ASP A 53 -13.172 10.470 -3.541 1.00 0.00 C ATOM 826 CG ASP A 53 -14.452 10.875 -2.838 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.608 12.075 -2.531 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.300 9.990 -2.595 1.00 0.00 O ATOM 0 H ASP A 53 -10.854 10.129 -4.292 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.978 11.050 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.883 11.252 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.352 9.568 -4.125 1.00 0.00 H new ATOM 833 N PHE A 54 -11.835 7.823 -2.393 1.00 0.00 N ATOM 834 CA PHE A 54 -12.002 6.509 -1.804 1.00 0.00 C ATOM 835 C PHE A 54 -11.300 6.417 -0.454 1.00 0.00 C ATOM 836 O PHE A 54 -11.903 6.029 0.545 1.00 0.00 O ATOM 837 CB PHE A 54 -11.419 5.470 -2.759 1.00 0.00 C ATOM 838 CG PHE A 54 -12.426 4.493 -3.279 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.810 3.404 -2.519 1.00 0.00 C ATOM 840 CD2 PHE A 54 -12.984 4.666 -4.532 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.737 2.500 -3.001 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.911 3.769 -5.022 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.289 2.682 -4.256 1.00 0.00 C ATOM 0 H PHE A 54 -11.363 7.817 -3.297 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.064 6.325 -1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.957 5.984 -3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.628 4.923 -2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.381 3.258 -1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.691 5.513 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.030 1.653 -2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.340 3.916 -6.002 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.013 1.977 -4.636 1.00 0.00 H new ATOM 853 N LEU A 55 -10.031 6.798 -0.432 1.00 0.00 N ATOM 854 CA LEU A 55 -9.252 6.783 0.799 1.00 0.00 C ATOM 855 C LEU A 55 -9.670 7.926 1.704 1.00 0.00 C ATOM 856 O LEU A 55 -9.713 7.786 2.925 1.00 0.00 O ATOM 857 CB LEU A 55 -7.765 6.887 0.499 1.00 0.00 C ATOM 858 CG LEU A 55 -7.413 7.781 -0.680 1.00 0.00 C ATOM 859 CD1 LEU A 55 -6.817 9.089 -0.195 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.460 7.056 -1.610 1.00 0.00 C ATOM 0 H LEU A 55 -9.518 7.121 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.443 5.837 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.255 7.262 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.377 5.887 0.307 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.322 8.015 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.571 9.717 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.539 9.605 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.912 8.886 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.212 7.702 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.549 6.799 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.933 6.145 -1.978 1.00 0.00 H new ATOM 872 N THR A 56 -9.972 9.063 1.087 1.00 0.00 N ATOM 873 CA THR A 56 -10.386 10.245 1.818 1.00 0.00 C ATOM 874 C THR A 56 -11.649 9.946 2.613 1.00 0.00 C ATOM 875 O THR A 56 -11.801 10.385 3.754 1.00 0.00 O ATOM 876 CB THR A 56 -10.615 11.400 0.835 1.00 0.00 C ATOM 877 OG1 THR A 56 -9.586 12.364 0.940 1.00 0.00 O ATOM 878 CG2 THR A 56 -11.935 12.114 1.018 1.00 0.00 C ATOM 0 H THR A 56 -9.936 9.187 0.075 1.00 0.00 H new ATOM 0 HA THR A 56 -9.604 10.536 2.520 1.00 0.00 H new ATOM 0 HB THR A 56 -10.620 10.929 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.924 12.214 0.234 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.019 12.916 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.753 11.408 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.985 12.534 2.023 1.00 0.00 H new ATOM 886 N LYS A 57 -12.542 9.174 2.007 1.00 0.00 N ATOM 887 CA LYS A 57 -13.781 8.785 2.655 1.00 0.00 C ATOM 888 C LYS A 57 -13.497 7.717 3.700 1.00 0.00 C ATOM 889 O LYS A 57 -14.128 7.678 4.756 1.00 0.00 O ATOM 890 CB LYS A 57 -14.786 8.263 1.625 1.00 0.00 C ATOM 891 CG LYS A 57 -16.230 8.602 1.958 1.00 0.00 C ATOM 892 CD LYS A 57 -16.530 10.072 1.710 1.00 0.00 C ATOM 893 CE LYS A 57 -16.738 10.356 0.231 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.213 11.748 -0.005 1.00 0.00 N ATOM 0 H LYS A 57 -12.427 8.805 1.063 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.214 9.659 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.540 8.678 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.684 7.181 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.897 7.987 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.430 8.360 3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.422 10.361 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.708 10.681 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.802 10.196 -0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.463 9.651 -0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.343 11.902 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.119 11.894 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.510 12.421 0.360 1.00 0.00 H new ATOM 907 N HIS A 58 -12.528 6.855 3.396 1.00 0.00 N ATOM 908 CA HIS A 58 -12.142 5.788 4.306 1.00 0.00 C ATOM 909 C HIS A 58 -11.352 6.347 5.484 1.00 0.00 C ATOM 910 O HIS A 58 -11.279 5.726 6.546 1.00 0.00 O ATOM 911 CB HIS A 58 -11.307 4.739 3.570 1.00 0.00 C ATOM 912 CG HIS A 58 -11.377 3.377 4.187 1.00 0.00 C ATOM 913 ND1 HIS A 58 -10.934 3.106 5.465 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.842 2.204 3.695 1.00 0.00 C ATOM 915 CE1 HIS A 58 -11.124 1.825 5.731 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.674 1.257 4.674 1.00 0.00 N ATOM 0 H HIS A 58 -11.998 6.878 2.525 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.049 5.317 4.685 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.645 4.678 2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.267 5.065 3.547 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -10.524 3.787 6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.266 2.044 2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.872 1.328 6.656 1.00 0.00 H new ATOM 978 N GLY A 63 -7.337 12.061 8.704 1.00 0.00 N ATOM 979 CA GLY A 63 -7.148 12.021 7.266 1.00 0.00 C ATOM 980 C GLY A 63 -6.251 10.881 6.822 1.00 0.00 C ATOM 981 O GLY A 63 -6.096 9.888 7.536 1.00 0.00 O ATOM 0 HA2 GLY A 63 -8.118 11.924 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.718 12.966 6.934 1.00 0.00 H new ATOM 985 N SER A 64 -5.665 11.022 5.636 1.00 0.00 N ATOM 986 CA SER A 64 -4.784 9.997 5.088 1.00 0.00 C ATOM 987 C SER A 64 -3.515 10.614 4.505 1.00 0.00 C ATOM 988 O SER A 64 -3.466 11.812 4.225 1.00 0.00 O ATOM 989 CB SER A 64 -5.516 9.196 4.009 1.00 0.00 C ATOM 990 OG SER A 64 -5.354 9.791 2.733 1.00 0.00 O ATOM 0 H SER A 64 -5.785 11.838 5.036 1.00 0.00 H new ATOM 0 HA SER A 64 -4.497 9.330 5.901 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.135 8.175 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.577 9.136 4.253 1.00 0.00 H new ATOM 0 HG SER A 64 -6.232 10.031 2.370 1.00 0.00 H new ATOM 996 N TRP A 65 -2.495 9.782 4.316 1.00 0.00 N ATOM 997 CA TRP A 65 -1.226 10.231 3.757 1.00 0.00 C ATOM 998 C TRP A 65 -1.074 9.715 2.336 1.00 0.00 C ATOM 999 O TRP A 65 -1.299 8.536 2.072 1.00 0.00 O ATOM 1000 CB TRP A 65 -0.061 9.738 4.619 1.00 0.00 C ATOM 1001 CG TRP A 65 0.346 10.711 5.683 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.914 11.939 5.499 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.219 10.535 7.098 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.146 12.537 6.714 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.730 11.695 7.711 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.276 9.510 7.908 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.758 11.857 9.093 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.248 9.671 9.280 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.265 10.837 9.860 1.00 0.00 C ATOM 0 H TRP A 65 -2.524 8.788 4.544 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.215 11.321 3.744 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.340 8.794 5.088 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.796 9.534 3.977 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.147 12.376 4.539 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.561 13.459 6.851 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.674 8.607 7.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.154 12.755 9.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.628 8.884 9.915 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.272 10.934 10.936 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.701 10.598 1.420 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.536 10.212 0.027 1.00 0.00 C ATOM 1022 C ILE A 66 0.920 10.261 -0.400 1.00 0.00 C ATOM 1023 O ILE A 66 1.768 10.807 0.302 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.379 11.084 -0.918 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.662 12.400 -1.227 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.749 11.339 -0.309 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.542 13.422 -1.906 1.00 0.00 C ATOM 0 H ILE A 66 -0.508 11.580 1.615 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.890 9.184 -0.046 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.513 10.551 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.279 12.822 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.199 12.194 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.339 11.957 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.259 10.389 -0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.633 11.854 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.968 14.329 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.905 13.019 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.390 13.657 -1.263 1.00 0.00 H new ATOM 1039 N GLY A 67 1.193 9.673 -1.553 1.00 0.00 N ATOM 1040 CA GLY A 67 2.541 9.637 -2.077 1.00 0.00 C ATOM 1041 C GLY A 67 2.978 10.955 -2.679 1.00 0.00 C ATOM 1042 O GLY A 67 3.410 10.999 -3.828 1.00 0.00 O ATOM 0 H GLY A 67 0.497 9.215 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.229 9.364 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.609 8.857 -2.836 1.00 0.00 H new ATOM 1046 N LEU A 68 2.871 12.034 -1.908 1.00 0.00 N ATOM 1047 CA LEU A 68 3.270 13.342 -2.400 1.00 0.00 C ATOM 1048 C LEU A 68 4.285 14.028 -1.487 1.00 0.00 C ATOM 1049 O LEU A 68 4.043 14.229 -0.297 1.00 0.00 O ATOM 1050 CB LEU A 68 2.046 14.240 -2.569 1.00 0.00 C ATOM 1051 CG LEU A 68 1.810 14.722 -3.991 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.737 15.792 -4.019 1.00 0.00 C ATOM 1053 CD2 LEU A 68 3.109 15.239 -4.566 1.00 0.00 C ATOM 0 H LEU A 68 2.515 12.026 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 68 3.751 13.182 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.163 13.697 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.155 15.107 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 68 1.461 13.890 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.582 16.125 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.194 15.384 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.050 16.638 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.943 15.585 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.473 16.066 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.849 14.439 -4.571 1.00 0.00 H new ATOM 1065 N ARG A 69 5.410 14.409 -2.083 1.00 0.00 N ATOM 1066 CA ARG A 69 6.483 15.111 -1.386 1.00 0.00 C ATOM 1067 C ARG A 69 7.081 16.188 -2.296 1.00 0.00 C ATOM 1068 O ARG A 69 7.521 15.886 -3.405 1.00 0.00 O ATOM 1069 CB ARG A 69 7.567 14.124 -0.945 1.00 0.00 C ATOM 1070 CG ARG A 69 8.864 14.790 -0.512 1.00 0.00 C ATOM 1071 CD ARG A 69 10.015 14.424 -1.436 1.00 0.00 C ATOM 1072 NE ARG A 69 11.296 14.408 -0.734 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.035 13.315 -0.572 1.00 0.00 C ATOM 1074 NH1 ARG A 69 11.623 12.153 -1.060 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.189 13.384 0.078 1.00 0.00 N ATOM 0 H ARG A 69 5.605 14.238 -3.070 1.00 0.00 H new ATOM 0 HA ARG A 69 6.071 15.590 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.185 13.524 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.778 13.439 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.733 15.872 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.105 14.490 0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.830 13.444 -1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.061 15.138 -2.258 1.00 0.00 H new ATOM 0 HE ARG A 69 11.643 15.285 -0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.737 12.096 -1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.192 11.316 -0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.510 14.276 0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.755 12.545 0.202 1.00 0.00 H new ATOM 1089 N ASN A 70 7.102 17.435 -1.839 1.00 0.00 N ATOM 1090 CA ASN A 70 7.655 18.521 -2.647 1.00 0.00 C ATOM 1091 C ASN A 70 9.177 18.455 -2.691 1.00 0.00 C ATOM 1092 O ASN A 70 9.809 17.846 -1.827 1.00 0.00 O ATOM 1093 CB ASN A 70 7.194 19.882 -2.117 1.00 0.00 C ATOM 1094 CG ASN A 70 8.334 20.870 -1.948 1.00 0.00 C ATOM 1095 OD1 ASN A 70 9.148 20.748 -1.035 1.00 0.00 O ATOM 1096 ND2 ASN A 70 8.393 21.858 -2.833 1.00 0.00 N ATOM 0 H ASN A 70 6.748 17.719 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 70 7.281 18.401 -3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.456 20.301 -2.801 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.696 19.742 -1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.136 22.555 -2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.696 21.920 -3.575 1.00 0.00 H new ATOM 1196 N PHE A 77 5.178 19.994 -6.040 1.00 0.00 N ATOM 1197 CA PHE A 77 5.062 18.718 -5.357 1.00 0.00 C ATOM 1198 C PHE A 77 5.291 17.558 -6.314 1.00 0.00 C ATOM 1199 O PHE A 77 4.737 17.512 -7.412 1.00 0.00 O ATOM 1200 CB PHE A 77 3.702 18.587 -4.665 1.00 0.00 C ATOM 1201 CG PHE A 77 3.659 19.270 -3.330 1.00 0.00 C ATOM 1202 CD1 PHE A 77 4.138 20.562 -3.176 1.00 0.00 C ATOM 1203 CD2 PHE A 77 3.154 18.612 -2.224 1.00 0.00 C ATOM 1204 CE1 PHE A 77 4.111 21.184 -1.942 1.00 0.00 C ATOM 1205 CE2 PHE A 77 3.127 19.226 -0.986 1.00 0.00 C ATOM 1206 CZ PHE A 77 3.606 20.514 -0.844 1.00 0.00 C ATOM 0 HA PHE A 77 5.838 18.682 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.930 19.009 -5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.466 17.531 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.537 21.089 -4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.776 17.606 -2.329 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.484 22.192 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.732 18.699 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.586 20.996 0.122 1.00 0.00 H new ATOM 1216 N ILE A 78 6.128 16.632 -5.877 1.00 0.00 N ATOM 1217 CA ILE A 78 6.477 15.454 -6.653 1.00 0.00 C ATOM 1218 C ILE A 78 6.070 14.195 -5.901 1.00 0.00 C ATOM 1219 O ILE A 78 6.178 14.138 -4.680 1.00 0.00 O ATOM 1220 CB ILE A 78 7.991 15.423 -6.960 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.233 15.788 -8.435 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.597 14.066 -6.605 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.025 14.762 -9.223 1.00 0.00 C ATOM 0 H ILE A 78 6.588 16.677 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 78 5.938 15.496 -7.600 1.00 0.00 H new ATOM 0 HB ILE A 78 8.492 16.165 -6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.269 15.933 -8.922 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.758 16.742 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.663 14.073 -6.832 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.453 13.870 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.108 13.285 -7.187 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.145 15.106 -10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.006 14.632 -8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.493 13.810 -9.219 1.00 0.00 H new ATOM 1235 N TRP A 79 5.596 13.192 -6.622 1.00 0.00 N ATOM 1236 CA TRP A 79 5.170 11.954 -5.986 1.00 0.00 C ATOM 1237 C TRP A 79 6.377 11.159 -5.503 1.00 0.00 C ATOM 1238 O TRP A 79 7.431 11.165 -6.136 1.00 0.00 O ATOM 1239 CB TRP A 79 4.350 11.095 -6.956 1.00 0.00 C ATOM 1240 CG TRP A 79 3.110 11.763 -7.477 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.526 12.905 -7.009 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.298 11.319 -8.570 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.403 13.198 -7.746 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.242 12.238 -8.709 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.364 10.232 -9.447 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.261 12.104 -9.688 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.389 10.099 -10.419 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.350 11.031 -10.532 1.00 0.00 C ATOM 0 H TRP A 79 5.497 13.208 -7.637 1.00 0.00 H new ATOM 0 HA TRP A 79 4.546 12.217 -5.132 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.981 10.818 -7.800 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.066 10.170 -6.453 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.893 13.493 -6.180 1.00 0.00 H new ATOM 0 HE1 TRP A 79 0.790 14.000 -7.599 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.162 9.509 -9.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.541 12.821 -9.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.430 9.263 -11.102 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.397 10.900 -11.301 1.00 0.00 H new ATOM 1259 N VAL A 80 6.207 10.478 -4.373 1.00 0.00 N ATOM 1260 CA VAL A 80 7.272 9.671 -3.788 1.00 0.00 C ATOM 1261 C VAL A 80 7.734 8.603 -4.773 1.00 0.00 C ATOM 1262 O VAL A 80 8.844 8.079 -4.670 1.00 0.00 O ATOM 1263 CB VAL A 80 6.788 8.991 -2.492 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.425 8.368 -2.714 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.789 7.952 -2.006 1.00 0.00 C ATOM 0 H VAL A 80 5.336 10.470 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 80 8.106 10.333 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 80 6.704 9.750 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.090 7.889 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.713 9.142 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.490 7.623 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.419 7.490 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.920 7.187 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.746 8.434 -1.808 1.00 0.00 H new ATOM 1275 N ASP A 81 6.874 8.296 -5.737 1.00 0.00 N ATOM 1276 CA ASP A 81 7.185 7.300 -6.753 1.00 0.00 C ATOM 1277 C ASP A 81 8.130 7.886 -7.794 1.00 0.00 C ATOM 1278 O ASP A 81 8.461 7.239 -8.787 1.00 0.00 O ATOM 1279 CB ASP A 81 5.904 6.808 -7.428 1.00 0.00 C ATOM 1280 CG ASP A 81 6.131 5.566 -8.267 1.00 0.00 C ATOM 1281 OD1 ASP A 81 6.969 4.727 -7.872 1.00 0.00 O ATOM 1282 OD2 ASP A 81 5.471 5.430 -9.318 1.00 0.00 O ATOM 0 H ASP A 81 5.954 8.724 -5.836 1.00 0.00 H new ATOM 0 HA ASP A 81 7.673 6.454 -6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.154 6.596 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.502 7.601 -8.059 1.00 0.00 H new ATOM 1287 N GLY A 82 8.562 9.119 -7.550 1.00 0.00 N ATOM 1288 CA GLY A 82 9.468 9.781 -8.462 1.00 0.00 C ATOM 1289 C GLY A 82 8.771 10.308 -9.701 1.00 0.00 C ATOM 1290 O GLY A 82 9.345 10.302 -10.790 1.00 0.00 O ATOM 0 H GLY A 82 8.298 9.671 -6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.957 10.607 -7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.251 9.084 -8.760 1.00 0.00 H new ATOM 1294 N SER A 83 7.532 10.763 -9.539 1.00 0.00 N ATOM 1295 CA SER A 83 6.768 11.292 -10.663 1.00 0.00 C ATOM 1296 C SER A 83 6.002 12.551 -10.269 1.00 0.00 C ATOM 1297 O SER A 83 5.178 12.526 -9.360 1.00 0.00 O ATOM 1298 CB SER A 83 5.795 10.234 -11.188 1.00 0.00 C ATOM 1299 OG SER A 83 5.941 10.055 -12.586 1.00 0.00 O ATOM 0 H SER A 83 7.039 10.776 -8.646 1.00 0.00 H new ATOM 0 HA SER A 83 7.474 11.555 -11.451 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.972 9.288 -10.677 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.771 10.533 -10.961 1.00 0.00 H new ATOM 0 HG SER A 83 5.309 9.373 -12.896 1.00 0.00 H new ATOM 1305 N HIS A 84 6.276 13.652 -10.964 1.00 0.00 N ATOM 1306 CA HIS A 84 5.607 14.918 -10.686 1.00 0.00 C ATOM 1307 C HIS A 84 4.093 14.754 -10.762 1.00 0.00 C ATOM 1308 O HIS A 84 3.585 13.951 -11.545 1.00 0.00 O ATOM 1309 CB HIS A 84 6.067 15.992 -11.673 1.00 0.00 C ATOM 1310 CG HIS A 84 6.110 15.521 -13.094 1.00 0.00 C ATOM 1311 ND1 HIS A 84 7.235 14.973 -13.672 1.00 0.00 N ATOM 1312 CD2 HIS A 84 5.156 15.517 -14.055 1.00 0.00 C ATOM 1313 CE1 HIS A 84 6.973 14.654 -14.928 1.00 0.00 C ATOM 1314 NE2 HIS A 84 5.718 14.974 -15.184 1.00 0.00 N ATOM 0 H HIS A 84 6.956 13.692 -11.723 1.00 0.00 H new ATOM 0 HA HIS A 84 5.873 15.230 -9.676 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.397 16.849 -11.603 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.059 16.339 -11.384 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.142 15.874 -13.953 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.667 14.208 -15.625 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.243 14.840 -16.076 1.00 0.00 H new ATOM 1323 N VAL A 85 3.379 15.517 -9.942 1.00 0.00 N ATOM 1324 CA VAL A 85 1.923 15.453 -9.913 1.00 0.00 C ATOM 1325 C VAL A 85 1.330 15.763 -11.283 1.00 0.00 C ATOM 1326 O VAL A 85 1.935 16.475 -12.086 1.00 0.00 O ATOM 1327 CB VAL A 85 1.332 16.423 -8.872 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.153 16.167 -8.696 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.058 16.290 -7.545 1.00 0.00 C ATOM 0 H VAL A 85 3.785 16.187 -9.289 1.00 0.00 H new ATOM 0 HA VAL A 85 1.660 14.434 -9.631 1.00 0.00 H new ATOM 0 HB VAL A 85 1.467 17.442 -9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.557 16.860 -7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.663 16.314 -9.648 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.308 15.143 -8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.626 16.983 -6.823 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.956 15.270 -7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.114 16.521 -7.683 1.00 0.00 H new ATOM 1339 N ASP A 86 0.148 15.217 -11.547 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.525 15.427 -12.823 1.00 0.00 C ATOM 1341 C ASP A 86 -1.853 16.156 -12.640 1.00 0.00 C ATOM 1342 O ASP A 86 -2.083 17.204 -13.245 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.763 14.087 -13.521 1.00 0.00 C ATOM 1344 CG ASP A 86 0.532 13.410 -13.927 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.284 12.978 -13.029 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.793 13.312 -15.145 1.00 0.00 O ATOM 0 H ASP A 86 -0.364 14.625 -10.893 1.00 0.00 H new ATOM 0 HA ASP A 86 0.122 16.049 -13.441 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.322 13.428 -12.856 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.380 14.245 -14.405 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.730 15.590 -11.816 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.040 16.186 -11.571 1.00 0.00 C ATOM 1353 C TYR A 87 -4.091 16.895 -10.222 1.00 0.00 C ATOM 1354 O TYR A 87 -4.657 17.983 -10.107 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.129 15.111 -11.630 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.930 15.128 -12.912 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -6.747 16.206 -13.231 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -5.870 14.065 -13.804 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -7.481 16.224 -14.402 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -6.600 14.075 -14.977 1.00 0.00 C ATOM 1361 CZ TYR A 87 -7.403 15.156 -15.271 1.00 0.00 C ATOM 1362 OH TYR A 87 -8.133 15.169 -16.438 1.00 0.00 O ATOM 0 H TYR A 87 -2.558 14.722 -11.308 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.215 16.927 -12.350 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.666 14.131 -11.514 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.806 15.246 -10.787 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.809 17.044 -12.552 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.242 13.216 -13.577 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.112 17.069 -14.635 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.542 13.240 -15.660 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.965 14.343 -16.938 1.00 0.00 H new ATOM 1372 N SER A 88 -3.508 16.264 -9.207 1.00 0.00 N ATOM 1373 CA SER A 88 -3.491 16.815 -7.852 1.00 0.00 C ATOM 1374 C SER A 88 -4.904 17.148 -7.383 1.00 0.00 C ATOM 1375 O SER A 88 -5.869 17.010 -8.137 1.00 0.00 O ATOM 1376 CB SER A 88 -2.607 18.061 -7.770 1.00 0.00 C ATOM 1377 OG SER A 88 -2.383 18.628 -9.049 1.00 0.00 O ATOM 0 H SER A 88 -3.037 15.364 -9.297 1.00 0.00 H new ATOM 0 HA SER A 88 -3.073 16.053 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.078 18.800 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.652 17.800 -7.315 1.00 0.00 H new ATOM 0 HG SER A 88 -3.243 18.841 -9.468 1.00 0.00 H new ATOM 1383 N ASN A 89 -5.026 17.571 -6.132 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.328 17.904 -5.577 1.00 0.00 C ATOM 1385 C ASN A 89 -6.261 19.102 -4.628 1.00 0.00 C ATOM 1386 O ASN A 89 -7.300 19.567 -4.161 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.902 16.690 -4.850 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.427 15.635 -5.799 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.920 15.944 -6.883 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.324 14.376 -5.390 1.00 0.00 N ATOM 0 H ASN A 89 -4.245 17.691 -5.487 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.980 18.183 -6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.130 16.252 -4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.708 17.014 -4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.661 13.618 -5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.908 14.167 -4.483 1.00 0.00 H new ATOM 1592 N CYS A 104 4.363 18.018 2.368 1.00 0.00 N ATOM 1593 CA CYS A 104 3.506 16.852 2.178 1.00 0.00 C ATOM 1594 C CYS A 104 2.055 17.261 1.918 1.00 0.00 C ATOM 1595 O CYS A 104 1.626 18.360 2.273 1.00 0.00 O ATOM 1596 CB CYS A 104 3.570 15.938 3.409 1.00 0.00 C ATOM 1597 SG CYS A 104 4.807 16.438 4.654 1.00 0.00 S ATOM 0 HA CYS A 104 3.872 16.313 1.304 1.00 0.00 H new ATOM 0 HB2 CYS A 104 2.587 15.914 3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 104 3.792 14.922 3.081 1.00 0.00 H new ATOM 0 HG CYS A 104 5.426 17.506 4.246 1.00 0.00 H new ATOM 1602 N VAL A 105 1.300 16.364 1.296 1.00 0.00 N ATOM 1603 CA VAL A 105 -0.098 16.621 0.996 1.00 0.00 C ATOM 1604 C VAL A 105 -1.002 15.694 1.799 1.00 0.00 C ATOM 1605 O VAL A 105 -0.709 14.510 1.969 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.393 16.450 -0.502 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.890 16.382 -0.753 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.227 17.590 -1.281 1.00 0.00 C ATOM 0 H VAL A 105 1.636 15.451 0.990 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.302 17.655 1.274 1.00 0.00 H new ATOM 0 HB VAL A 105 0.046 15.511 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.075 16.261 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.311 15.534 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.359 17.302 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.014 17.463 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.192 18.536 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.306 17.593 -1.125 1.00 0.00 H new ATOM 1618 N MET A 106 -2.098 16.249 2.292 1.00 0.00 N ATOM 1619 CA MET A 106 -3.059 15.492 3.084 1.00 0.00 C ATOM 1620 C MET A 106 -4.476 15.782 2.611 1.00 0.00 C ATOM 1621 O MET A 106 -4.693 16.700 1.835 1.00 0.00 O ATOM 1622 CB MET A 106 -2.920 15.841 4.568 1.00 0.00 C ATOM 1623 CG MET A 106 -3.314 17.273 4.896 1.00 0.00 C ATOM 1624 SD MET A 106 -2.452 17.915 6.344 1.00 0.00 S ATOM 1625 CE MET A 106 -3.328 19.456 6.603 1.00 0.00 C ATOM 0 H MET A 106 -2.347 17.229 2.157 1.00 0.00 H new ATOM 0 HA MET A 106 -2.854 14.429 2.954 1.00 0.00 H new ATOM 0 HB2 MET A 106 -3.539 15.160 5.152 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.887 15.677 4.876 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.100 17.910 4.038 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.389 17.320 5.067 1.00 0.00 H new ATOM 0 HE1 MET A 106 -2.909 19.972 7.467 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.225 20.086 5.719 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.383 19.249 6.780 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.775 17.437 -1.208 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.418 17.472 -0.683 1.00 0.00 C ATOM 1727 C TRP A 113 -6.063 18.855 -0.186 1.00 0.00 C ATOM 1728 O TRP A 113 -6.683 19.851 -0.553 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.382 17.169 -1.759 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.325 15.771 -2.258 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -6.158 14.735 -1.970 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.361 15.281 -3.184 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.766 13.620 -2.673 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.660 13.933 -3.425 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.271 15.867 -3.831 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.902 13.149 -4.296 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.519 15.092 -4.695 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.838 13.746 -4.921 1.00 0.00 C ATOM 0 HA TRP A 113 -6.399 16.727 0.112 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.572 17.825 -2.608 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.399 17.431 -1.368 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.998 14.781 -1.293 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.222 12.708 -2.641 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.021 16.904 -3.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.145 12.111 -4.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.673 15.531 -5.203 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.232 13.167 -5.602 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.008 18.898 0.596 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.474 20.133 1.096 1.00 0.00 C ATOM 1751 C ASN A 114 -2.961 20.074 0.965 1.00 0.00 C ATOM 1752 O ASN A 114 -2.309 19.188 1.518 1.00 0.00 O ATOM 1753 CB ASN A 114 -4.879 20.352 2.555 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.382 20.426 2.733 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.066 21.171 2.032 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -6.905 19.651 3.675 1.00 0.00 N ATOM 0 H ASN A 114 -4.497 18.069 0.901 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.871 20.970 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.483 19.540 3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.427 21.274 2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.911 19.658 3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.300 19.048 4.233 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.418 21.010 0.214 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.989 21.074 -0.028 1.00 0.00 C ATOM 1765 C ASP A 115 -0.315 22.015 0.969 1.00 0.00 C ATOM 1766 O ASP A 115 -0.491 23.232 0.901 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.752 21.551 -1.464 1.00 0.00 C ATOM 1768 CG ASP A 115 0.713 21.615 -1.832 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.430 22.467 -1.267 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.142 20.820 -2.693 1.00 0.00 O ATOM 0 H ASP A 115 -2.953 21.747 -0.246 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.553 20.084 0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.265 20.880 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.196 22.538 -1.591 1.00 0.00 H new ATOM 1891 N GLY A 123 -4.307 10.629 11.017 1.00 0.00 N ATOM 1892 CA GLY A 123 -4.224 9.653 12.085 1.00 0.00 C ATOM 1893 C GLY A 123 -4.188 8.237 11.552 1.00 0.00 C ATOM 1894 O GLY A 123 -4.497 7.285 12.269 1.00 0.00 O ATOM 0 HA2 GLY A 123 -3.330 9.840 12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.079 9.769 12.751 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.816 8.102 10.283 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.743 6.798 9.638 1.00 0.00 C ATOM 1900 C ALA A 124 -2.752 6.816 8.478 1.00 0.00 C ATOM 1901 O ALA A 124 -2.655 7.805 7.752 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.122 6.384 9.151 1.00 0.00 C ATOM 0 H ALA A 124 -3.560 8.884 9.680 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.390 6.071 10.369 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.060 5.408 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.805 6.328 9.998 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.491 7.119 8.435 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.024 5.716 8.301 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.051 5.614 7.225 1.00 0.00 C ATOM 1910 C TRP A 125 -1.612 4.786 6.078 1.00 0.00 C ATOM 1911 O TRP A 125 -2.287 3.773 6.291 1.00 0.00 O ATOM 1912 CB TRP A 125 0.264 5.003 7.724 1.00 0.00 C ATOM 1913 CG TRP A 125 0.092 3.885 8.711 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.822 2.871 8.660 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.868 3.664 9.895 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.664 2.038 9.740 1.00 0.00 N ATOM 1917 CE2 TRP A 125 0.367 2.502 10.513 1.00 0.00 C ATOM 1918 CE3 TRP A 125 1.938 4.337 10.493 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 0.900 2.000 11.697 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 2.465 3.837 11.669 1.00 0.00 C ATOM 1921 CH2 TRP A 125 1.946 2.678 12.259 1.00 0.00 C ATOM 0 H TRP A 125 -2.092 4.886 8.890 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.843 6.622 6.865 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.826 4.632 6.867 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.864 5.788 8.184 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -1.561 2.743 7.883 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.224 1.208 9.935 1.00 0.00 H new ATOM 0 HE3 TRP A 125 2.345 5.231 10.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.502 1.107 12.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 3.291 4.349 12.141 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.381 2.312 13.177 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.347 5.232 4.859 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.842 4.538 3.690 1.00 0.00 C ATOM 1934 C VAL A 126 -0.766 4.362 2.612 1.00 0.00 C ATOM 1935 O VAL A 126 -0.102 5.316 2.209 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.078 5.258 3.107 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.090 6.725 3.495 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.155 5.093 1.599 1.00 0.00 C ATOM 0 H VAL A 126 -0.795 6.066 4.659 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.135 3.540 4.017 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.964 4.790 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.971 7.206 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.115 6.814 4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.192 7.210 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.036 5.612 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.261 5.515 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.224 4.034 1.352 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.623 3.118 2.154 1.00 0.00 N ATOM 1949 CA CYS A 127 0.343 2.753 1.112 1.00 0.00 C ATOM 1950 C CYS A 127 -0.277 1.731 0.171 1.00 0.00 C ATOM 1951 O CYS A 127 -1.264 1.106 0.514 1.00 0.00 O ATOM 1952 CB CYS A 127 1.620 2.176 1.719 1.00 0.00 C ATOM 1953 SG CYS A 127 2.425 3.259 2.938 1.00 0.00 S ATOM 0 H CYS A 127 -1.175 2.331 2.495 1.00 0.00 H new ATOM 0 HA CYS A 127 0.602 3.656 0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.384 1.225 2.196 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.326 1.964 0.916 1.00 0.00 H new ATOM 1958 N ASP A 128 0.295 1.542 -1.008 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.257 0.572 -1.935 1.00 0.00 C ATOM 1960 C ASP A 128 0.795 -0.428 -2.385 1.00 0.00 C ATOM 1961 O ASP A 128 1.958 -0.088 -2.580 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.861 1.278 -3.151 1.00 0.00 C ATOM 1963 CG ASP A 128 0.026 2.390 -3.679 1.00 0.00 C ATOM 1964 OD1 ASP A 128 1.255 2.325 -3.464 1.00 0.00 O ATOM 1965 OD2 ASP A 128 -0.510 3.325 -4.310 1.00 0.00 O ATOM 0 H ASP A 128 1.123 2.036 -1.339 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.042 0.026 -1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.033 0.548 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.833 1.691 -2.881 1.00 0.00 H new ATOM 1970 N ARG A 129 0.354 -1.665 -2.550 1.00 0.00 N ATOM 1971 CA ARG A 129 1.219 -2.754 -2.980 1.00 0.00 C ATOM 1972 C ARG A 129 0.393 -3.842 -3.648 1.00 0.00 C ATOM 1973 O ARG A 129 -0.834 -3.806 -3.609 1.00 0.00 O ATOM 1974 CB ARG A 129 1.984 -3.335 -1.786 1.00 0.00 C ATOM 1975 CG ARG A 129 1.212 -4.396 -1.015 1.00 0.00 C ATOM 1976 CD ARG A 129 2.038 -5.658 -0.825 1.00 0.00 C ATOM 1977 NE ARG A 129 2.820 -5.990 -2.013 1.00 0.00 N ATOM 1978 CZ ARG A 129 3.834 -6.850 -2.013 1.00 0.00 C ATOM 1979 NH1 ARG A 129 4.188 -7.464 -0.892 1.00 0.00 N ATOM 1980 NH2 ARG A 129 4.494 -7.098 -3.136 1.00 0.00 N ATOM 0 H ARG A 129 -0.614 -1.943 -2.390 1.00 0.00 H new ATOM 0 HA ARG A 129 1.940 -2.363 -3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.919 -3.767 -2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.246 -2.524 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.921 -4.000 -0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.293 -4.638 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.709 -5.527 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.377 -6.490 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 129 2.574 -5.536 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.682 -7.277 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.966 -8.123 -0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.224 -6.629 -4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 129 5.272 -7.758 -3.135 1.00 0.00 H new ATOM 1994 N LEU A 130 1.064 -4.813 -4.249 1.00 0.00 N ATOM 1995 CA LEU A 130 0.370 -5.909 -4.910 1.00 0.00 C ATOM 1996 C LEU A 130 -0.124 -6.928 -3.890 1.00 0.00 C ATOM 1997 O LEU A 130 0.614 -7.328 -2.989 1.00 0.00 O ATOM 1998 CB LEU A 130 1.289 -6.579 -5.935 1.00 0.00 C ATOM 1999 CG LEU A 130 1.358 -5.895 -7.308 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.668 -6.748 -8.361 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.740 -4.500 -7.265 1.00 0.00 C ATOM 0 H LEU A 130 2.082 -4.865 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.496 -5.502 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.296 -6.624 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.957 -7.607 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 130 2.409 -5.787 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.726 -6.249 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.161 -7.718 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.378 -6.889 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.805 -4.043 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.306 -4.574 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.279 -3.885 -6.544 1.00 0.00 H new