USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 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= -2.24 K(o=-2.2,f=-0.5) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.826 X(o=-0.83,f=-0.39) USER MOD Single : A 16 GLN : amide:sc= -0.0142 K(o=-0.014,f=-0.86) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.73 USER MOD Single : A 20 TYR OH : rot 90:sc= 0.524 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0111 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 31 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.86!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -98:sc= -0.0436 (180deg=-1.88!) USER MOD Single : A 42 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.51) USER MOD Single : A 45 SER OG : rot -116:sc= 1.25 USER MOD Single : A 47 HIS : no HE2:sc= 0.00625 X(o=0.0062,f=-0.19) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -0.272 (180deg=-1.14!) USER MOD Single : A 58 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-2.3) USER MOD Single : A 64 SER OG : rot -100:sc= -0.0407 USER MOD Single : A 70 ASN : amide:sc= -0.0401 X(o=-0.04,f=-0.39) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.011) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.1 USER MOD Single : A 89 ASN : amide:sc= -2.06 K(o=-2.1,f=-1.3) USER MOD Single : A 104 CYS SG : rot -140:sc= 1.3 USER MOD Single : A 106 MET CE :methyl 146:sc= -0.447 (180deg=-1.87!) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.426 -2.019 6.492 1.00 0.00 N ATOM 135 CA LYS A 11 -8.912 -0.817 5.848 1.00 0.00 C ATOM 136 C LYS A 11 -8.347 -1.165 4.478 1.00 0.00 C ATOM 137 O LYS A 11 -8.923 -0.809 3.452 1.00 0.00 O ATOM 138 CB LYS A 11 -7.831 -0.172 6.716 1.00 0.00 C ATOM 139 CG LYS A 11 -8.278 0.096 8.144 1.00 0.00 C ATOM 140 CD LYS A 11 -7.183 -0.242 9.142 1.00 0.00 C ATOM 141 CE LYS A 11 -7.762 -0.617 10.498 1.00 0.00 C ATOM 142 NZ LYS A 11 -6.942 -1.653 11.185 1.00 0.00 N ATOM 0 HA LYS A 11 -9.729 -0.106 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.956 -0.821 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.522 0.768 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.556 1.145 8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.168 -0.494 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.583 -1.068 8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.515 0.612 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.823 0.272 11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.779 -0.986 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.370 -1.881 12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.905 -2.511 10.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.978 -1.292 11.332 1.00 0.00 H new ATOM 155 N TRP A 12 -7.223 -1.876 4.481 1.00 0.00 N ATOM 156 CA TRP A 12 -6.568 -2.305 3.246 1.00 0.00 C ATOM 157 C TRP A 12 -7.613 -2.767 2.229 1.00 0.00 C ATOM 158 O TRP A 12 -8.551 -3.484 2.579 1.00 0.00 O ATOM 159 CB TRP A 12 -5.571 -3.444 3.521 1.00 0.00 C ATOM 160 CG TRP A 12 -4.777 -3.304 4.796 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.711 -2.217 5.625 1.00 0.00 C ATOM 162 CD2 TRP A 12 -3.927 -4.298 5.381 1.00 0.00 C ATOM 163 NE1 TRP A 12 -3.882 -2.480 6.688 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.386 -3.749 6.561 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.570 -5.601 5.023 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.512 -4.458 7.381 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.702 -6.304 5.838 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.182 -5.731 7.005 1.00 0.00 C ATOM 0 H TRP A 12 -6.743 -2.170 5.331 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.020 -1.455 2.839 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.119 -4.386 3.554 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.876 -3.508 2.684 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.235 -1.286 5.466 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.670 -1.834 7.449 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.966 -6.051 4.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.109 -4.019 8.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.420 -7.312 5.570 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.506 -6.306 7.621 1.00 0.00 H new ATOM 179 N ILE A 13 -7.464 -2.338 0.977 1.00 0.00 N ATOM 180 CA ILE A 13 -8.422 -2.698 -0.069 1.00 0.00 C ATOM 181 C ILE A 13 -7.743 -3.223 -1.335 1.00 0.00 C ATOM 182 O ILE A 13 -6.877 -2.566 -1.904 1.00 0.00 O ATOM 183 CB ILE A 13 -9.307 -1.494 -0.449 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.082 -0.330 0.532 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.767 -1.915 -0.480 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.352 0.367 0.985 1.00 0.00 C ATOM 0 H ILE A 13 -6.696 -1.745 0.663 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.034 -3.496 0.351 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.030 -1.147 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.557 -0.708 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.428 0.404 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.387 -1.060 -0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.902 -2.707 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.061 -2.281 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.099 1.173 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.870 0.779 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.001 -0.350 1.488 1.00 0.00 H new ATOM 198 N ASN A 14 -8.163 -4.407 -1.780 1.00 0.00 N ATOM 199 CA ASN A 14 -7.610 -5.023 -2.986 1.00 0.00 C ATOM 200 C ASN A 14 -8.587 -4.909 -4.155 1.00 0.00 C ATOM 201 O ASN A 14 -9.801 -4.850 -3.956 1.00 0.00 O ATOM 202 CB ASN A 14 -7.271 -6.493 -2.730 1.00 0.00 C ATOM 203 CG ASN A 14 -6.913 -7.235 -4.003 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.690 -8.053 -4.497 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.732 -6.955 -4.541 1.00 0.00 N ATOM 0 H ASN A 14 -8.887 -4.960 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.696 -4.489 -3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.437 -6.554 -2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.122 -6.982 -2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.437 -7.425 -5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.119 -6.270 -4.098 1.00 0.00 H new ATOM 212 N PHE A 15 -8.050 -4.875 -5.373 1.00 0.00 N ATOM 213 CA PHE A 15 -8.877 -4.765 -6.571 1.00 0.00 C ATOM 214 C PHE A 15 -8.514 -5.851 -7.583 1.00 0.00 C ATOM 215 O PHE A 15 -8.440 -7.030 -7.234 1.00 0.00 O ATOM 216 CB PHE A 15 -8.717 -3.376 -7.196 1.00 0.00 C ATOM 217 CG PHE A 15 -8.611 -2.269 -6.187 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.749 -1.641 -5.706 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.374 -1.859 -5.719 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.654 -0.623 -4.777 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.272 -0.841 -4.790 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.413 -0.223 -4.319 1.00 0.00 C ATOM 0 H PHE A 15 -7.048 -4.922 -5.555 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.919 -4.904 -6.284 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.826 -3.370 -7.824 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.568 -3.181 -7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.721 -1.951 -6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.479 -2.340 -6.084 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.548 -0.141 -4.409 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.301 -0.529 -4.433 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.336 0.573 -3.593 1.00 0.00 H new ATOM 232 N GLN A 16 -8.292 -5.451 -8.837 1.00 0.00 N ATOM 233 CA GLN A 16 -7.938 -6.395 -9.892 1.00 0.00 C ATOM 234 C GLN A 16 -6.801 -7.309 -9.447 1.00 0.00 C ATOM 235 O GLN A 16 -6.879 -8.528 -9.593 1.00 0.00 O ATOM 236 CB GLN A 16 -7.536 -5.645 -11.163 1.00 0.00 C ATOM 237 CG GLN A 16 -8.599 -4.679 -11.661 1.00 0.00 C ATOM 238 CD GLN A 16 -9.733 -5.381 -12.381 1.00 0.00 C ATOM 239 OE1 GLN A 16 -9.516 -6.349 -13.109 1.00 0.00 O ATOM 240 NE2 GLN A 16 -10.952 -4.895 -12.181 1.00 0.00 N ATOM 0 H GLN A 16 -8.352 -4.480 -9.144 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.813 -7.010 -10.102 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.615 -5.093 -10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.318 -6.369 -11.948 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.001 -4.120 -10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.140 -3.954 -12.333 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.086 -4.090 -11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.755 -5.326 -12.639 1.00 0.00 H new ATOM 249 N ARG A 17 -5.748 -6.711 -8.898 1.00 0.00 N ATOM 250 CA ARG A 17 -4.599 -7.475 -8.426 1.00 0.00 C ATOM 251 C ARG A 17 -3.712 -6.631 -7.519 1.00 0.00 C ATOM 252 O ARG A 17 -2.689 -7.101 -7.024 1.00 0.00 O ATOM 253 CB ARG A 17 -3.787 -8.007 -9.609 1.00 0.00 C ATOM 254 CG ARG A 17 -3.541 -6.970 -10.693 1.00 0.00 C ATOM 255 CD ARG A 17 -2.082 -6.546 -10.739 1.00 0.00 C ATOM 256 NE ARG A 17 -1.896 -5.306 -11.487 1.00 0.00 N ATOM 257 CZ ARG A 17 -1.788 -5.251 -12.811 1.00 0.00 C ATOM 258 NH1 ARG A 17 -1.851 -6.364 -13.531 1.00 0.00 N ATOM 259 NH2 ARG A 17 -1.619 -4.084 -13.417 1.00 0.00 N ATOM 0 H ARG A 17 -5.667 -5.702 -8.769 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.974 -8.319 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.828 -8.374 -9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.310 -8.859 -10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.833 -7.378 -11.661 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.169 -6.097 -10.512 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.710 -6.416 -9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.489 -7.338 -11.196 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.846 -4.432 -10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.983 -7.264 -13.069 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.768 -6.320 -14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.572 -3.226 -12.867 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.536 -4.044 -14.433 1.00 0.00 H new ATOM 273 N LYS A 18 -4.118 -5.387 -7.298 1.00 0.00 N ATOM 274 CA LYS A 18 -3.375 -4.482 -6.444 1.00 0.00 C ATOM 275 C LYS A 18 -4.193 -4.159 -5.206 1.00 0.00 C ATOM 276 O LYS A 18 -5.416 -4.277 -5.212 1.00 0.00 O ATOM 277 CB LYS A 18 -3.039 -3.198 -7.197 1.00 0.00 C ATOM 278 CG LYS A 18 -4.206 -2.233 -7.290 1.00 0.00 C ATOM 279 CD LYS A 18 -4.175 -1.443 -8.588 1.00 0.00 C ATOM 280 CE LYS A 18 -4.309 0.049 -8.332 1.00 0.00 C ATOM 281 NZ LYS A 18 -3.706 0.856 -9.429 1.00 0.00 N ATOM 0 H LYS A 18 -4.963 -4.984 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.444 -4.963 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.205 -2.702 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.706 -3.452 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.143 -2.786 -7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.179 -1.546 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.241 -1.641 -9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.984 -1.776 -9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.363 0.307 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.825 0.300 -7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.818 1.868 -9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.694 0.629 -9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.184 0.635 -10.326 1.00 0.00 H new ATOM 294 N CYS A 19 -3.518 -3.754 -4.150 1.00 0.00 N ATOM 295 CA CYS A 19 -4.193 -3.420 -2.908 1.00 0.00 C ATOM 296 C CYS A 19 -3.739 -2.066 -2.389 1.00 0.00 C ATOM 297 O CYS A 19 -2.699 -1.542 -2.789 1.00 0.00 O ATOM 298 CB CYS A 19 -3.942 -4.503 -1.854 1.00 0.00 C ATOM 299 SG CYS A 19 -4.884 -4.276 -0.306 1.00 0.00 S ATOM 0 H CYS A 19 -2.504 -3.648 -4.124 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.263 -3.367 -3.109 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.194 -5.474 -2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.878 -4.525 -1.618 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.604 -5.242 0.518 1.00 0.00 H new ATOM 304 N TYR A 20 -4.527 -1.521 -1.483 1.00 0.00 N ATOM 305 CA TYR A 20 -4.242 -0.242 -0.866 1.00 0.00 C ATOM 306 C TYR A 20 -4.233 -0.418 0.635 1.00 0.00 C ATOM 307 O TYR A 20 -4.861 -1.327 1.173 1.00 0.00 O ATOM 308 CB TYR A 20 -5.279 0.818 -1.265 1.00 0.00 C ATOM 309 CG TYR A 20 -4.974 1.526 -2.568 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.479 0.833 -3.666 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.185 2.895 -2.699 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.202 1.480 -4.855 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.910 3.548 -3.885 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.418 2.838 -4.959 1.00 0.00 C ATOM 315 OH TYR A 20 -4.144 3.485 -6.142 1.00 0.00 O ATOM 0 H TYR A 20 -5.388 -1.957 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.268 0.106 -1.211 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.257 0.342 -1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.348 1.560 -0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.308 -0.231 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.570 3.456 -1.860 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.818 0.925 -5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.080 4.611 -3.970 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.943 3.480 -6.710 1.00 0.00 H new ATOM 325 N TYR A 21 -3.508 0.445 1.294 1.00 0.00 N ATOM 326 CA TYR A 21 -3.384 0.405 2.735 1.00 0.00 C ATOM 327 C TYR A 21 -3.960 1.665 3.332 1.00 0.00 C ATOM 328 O TYR A 21 -3.476 2.745 3.055 1.00 0.00 O ATOM 329 CB TYR A 21 -1.914 0.295 3.144 1.00 0.00 C ATOM 330 CG TYR A 21 -1.372 -1.113 3.161 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.476 -1.895 4.299 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.746 -1.654 2.045 1.00 0.00 C ATOM 333 CE1 TYR A 21 -0.974 -3.177 4.331 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.241 -2.940 2.064 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.357 -3.699 3.211 1.00 0.00 C ATOM 336 OH TYR A 21 0.146 -4.979 3.239 1.00 0.00 O ATOM 0 H TYR A 21 -2.984 1.199 0.850 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.927 -0.466 3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.314 0.893 2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.793 0.729 4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.959 -1.492 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.653 -1.060 1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.062 -3.772 5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.241 -3.348 1.188 1.00 0.00 H new ATOM 0 HH TYR A 21 0.547 -5.192 2.370 1.00 0.00 H new ATOM 346 N PHE A 22 -4.975 1.528 4.157 1.00 0.00 N ATOM 347 CA PHE A 22 -5.574 2.679 4.800 1.00 0.00 C ATOM 348 C PHE A 22 -5.606 2.431 6.300 1.00 0.00 C ATOM 349 O PHE A 22 -6.656 2.514 6.937 1.00 0.00 O ATOM 350 CB PHE A 22 -6.991 2.928 4.272 1.00 0.00 C ATOM 351 CG PHE A 22 -7.069 3.210 2.792 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.086 3.947 2.153 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.137 2.741 2.041 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.164 4.209 0.797 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.219 2.998 0.684 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.231 3.734 0.061 1.00 0.00 C ATOM 0 H PHE A 22 -5.403 0.634 4.398 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.981 3.566 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.606 2.056 4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.423 3.770 4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.247 4.322 2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.915 2.167 2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.389 4.786 0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.055 2.623 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.293 3.937 -0.998 1.00 0.00 H new ATOM 366 N GLY A 23 -4.442 2.100 6.851 1.00 0.00 N ATOM 367 CA GLY A 23 -4.347 1.808 8.265 1.00 0.00 C ATOM 368 C GLY A 23 -4.122 3.053 9.104 1.00 0.00 C ATOM 369 O GLY A 23 -4.024 4.158 8.569 1.00 0.00 O ATOM 0 H GLY A 23 -3.562 2.029 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.262 1.314 8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.529 1.108 8.434 1.00 0.00 H new ATOM 373 N LYS A 24 -4.047 2.880 10.421 1.00 0.00 N ATOM 374 CA LYS A 24 -3.840 4.004 11.330 1.00 0.00 C ATOM 375 C LYS A 24 -2.522 3.870 12.087 1.00 0.00 C ATOM 376 O LYS A 24 -2.157 2.781 12.530 1.00 0.00 O ATOM 377 CB LYS A 24 -5.002 4.104 12.320 1.00 0.00 C ATOM 378 CG LYS A 24 -5.332 2.787 13.003 1.00 0.00 C ATOM 379 CD LYS A 24 -5.166 2.884 14.511 1.00 0.00 C ATOM 380 CE LYS A 24 -6.511 2.950 15.215 1.00 0.00 C ATOM 381 NZ LYS A 24 -6.388 2.667 16.672 1.00 0.00 N ATOM 0 H LYS A 24 -4.126 1.974 10.882 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.797 4.914 10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.759 4.847 13.080 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.887 4.463 11.794 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.357 2.500 12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.683 2.002 12.614 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.606 2.021 14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.581 3.770 14.758 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.948 3.939 15.072 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.194 2.232 14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.327 2.722 17.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.995 1.714 16.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.756 3.368 17.110 1.00 0.00 H new ATOM 436 N GLN A 28 3.582 11.359 10.662 1.00 0.00 N ATOM 437 CA GLN A 28 4.314 12.148 9.672 1.00 0.00 C ATOM 438 C GLN A 28 4.282 11.483 8.299 1.00 0.00 C ATOM 439 O GLN A 28 3.985 10.294 8.179 1.00 0.00 O ATOM 440 CB GLN A 28 5.766 12.346 10.114 1.00 0.00 C ATOM 441 CG GLN A 28 5.913 13.178 11.378 1.00 0.00 C ATOM 442 CD GLN A 28 7.359 13.334 11.809 1.00 0.00 C ATOM 443 OE1 GLN A 28 8.266 12.762 11.203 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.581 14.113 12.861 1.00 0.00 N ATOM 0 HA GLN A 28 3.824 13.119 9.596 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.223 11.370 10.277 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.320 12.826 9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.479 14.164 11.212 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.346 12.712 12.184 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.799 14.568 13.333 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.533 14.257 13.197 1.00 0.00 H new ATOM 453 N TRP A 29 4.595 12.260 7.264 1.00 0.00 N ATOM 454 CA TRP A 29 4.610 11.753 5.896 1.00 0.00 C ATOM 455 C TRP A 29 5.714 10.723 5.712 1.00 0.00 C ATOM 456 O TRP A 29 5.482 9.635 5.184 1.00 0.00 O ATOM 457 CB TRP A 29 4.805 12.895 4.902 1.00 0.00 C ATOM 458 CG TRP A 29 4.802 12.432 3.481 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.721 12.333 2.655 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.932 11.993 2.720 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.110 11.857 1.428 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.462 11.642 1.442 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.297 11.864 2.996 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.305 11.168 0.442 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.136 11.394 2.001 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.637 11.051 0.737 1.00 0.00 C ATOM 0 H TRP A 29 4.842 13.246 7.349 1.00 0.00 H new ATOM 0 HA TRP A 29 3.648 11.276 5.707 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.013 13.631 5.041 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.749 13.398 5.114 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.708 12.591 2.927 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.492 11.690 0.634 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.689 12.126 3.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.922 10.902 -0.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.192 11.290 2.202 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.317 10.687 -0.019 1.00 0.00 H new ATOM 477 N VAL A 30 6.914 11.078 6.150 1.00 0.00 N ATOM 478 CA VAL A 30 8.064 10.188 6.041 1.00 0.00 C ATOM 479 C VAL A 30 7.764 8.848 6.694 1.00 0.00 C ATOM 480 O VAL A 30 8.263 7.808 6.267 1.00 0.00 O ATOM 481 CB VAL A 30 9.315 10.802 6.695 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.860 11.933 5.840 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.994 11.295 8.097 1.00 0.00 C ATOM 0 H VAL A 30 7.118 11.978 6.585 1.00 0.00 H new ATOM 0 HA VAL A 30 8.262 10.042 4.979 1.00 0.00 H new ATOM 0 HB VAL A 30 10.081 10.030 6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.744 12.356 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.127 11.549 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.100 12.707 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.889 11.726 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.213 12.053 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.650 10.460 8.707 1.00 0.00 H new ATOM 493 N HIS A 31 6.937 8.883 7.728 1.00 0.00 N ATOM 494 CA HIS A 31 6.556 7.672 8.436 1.00 0.00 C ATOM 495 C HIS A 31 5.623 6.828 7.577 1.00 0.00 C ATOM 496 O HIS A 31 5.581 5.604 7.707 1.00 0.00 O ATOM 497 CB HIS A 31 5.883 8.019 9.763 1.00 0.00 C ATOM 498 CG HIS A 31 6.823 8.023 10.929 1.00 0.00 C ATOM 499 ND1 HIS A 31 8.096 7.498 10.872 1.00 0.00 N ATOM 500 CD2 HIS A 31 6.668 8.494 12.190 1.00 0.00 C ATOM 501 CE1 HIS A 31 8.684 7.643 12.046 1.00 0.00 C ATOM 502 NE2 HIS A 31 7.839 8.244 12.863 1.00 0.00 N ATOM 0 H HIS A 31 6.517 9.737 8.095 1.00 0.00 H new ATOM 0 HA HIS A 31 7.457 7.095 8.644 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.418 9.001 9.679 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.084 7.303 9.954 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.788 8.976 12.591 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.685 7.324 12.295 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.026 8.484 13.837 1.00 0.00 H new ATOM 511 N ALA A 32 4.873 7.489 6.695 1.00 0.00 N ATOM 512 CA ALA A 32 3.946 6.789 5.817 1.00 0.00 C ATOM 513 C ALA A 32 4.700 5.988 4.764 1.00 0.00 C ATOM 514 O ALA A 32 4.435 4.802 4.573 1.00 0.00 O ATOM 515 CB ALA A 32 2.996 7.776 5.154 1.00 0.00 C ATOM 0 H ALA A 32 4.891 8.501 6.573 1.00 0.00 H new ATOM 0 HA ALA A 32 3.362 6.094 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.309 7.237 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.429 8.305 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.569 8.493 4.566 1.00 0.00 H new ATOM 521 N ARG A 33 5.653 6.634 4.098 1.00 0.00 N ATOM 522 CA ARG A 33 6.454 5.969 3.081 1.00 0.00 C ATOM 523 C ARG A 33 7.222 4.806 3.691 1.00 0.00 C ATOM 524 O ARG A 33 7.337 3.740 3.086 1.00 0.00 O ATOM 525 CB ARG A 33 7.419 6.953 2.413 1.00 0.00 C ATOM 526 CG ARG A 33 8.411 7.588 3.371 1.00 0.00 C ATOM 527 CD ARG A 33 9.846 7.336 2.936 1.00 0.00 C ATOM 528 NE ARG A 33 10.743 8.406 3.363 1.00 0.00 N ATOM 529 CZ ARG A 33 12.023 8.480 3.009 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.554 7.551 2.225 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.775 9.485 3.440 1.00 0.00 N ATOM 0 H ARG A 33 5.887 7.616 4.246 1.00 0.00 H new ATOM 0 HA ARG A 33 5.780 5.583 2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.969 6.432 1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.842 7.740 1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.230 8.661 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.258 7.188 4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.189 6.388 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.885 7.242 1.851 1.00 0.00 H new ATOM 0 HE ARG A 33 10.367 9.137 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.980 6.776 1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.536 7.611 1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.372 10.202 4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.756 9.541 3.168 1.00 0.00 H new ATOM 545 N TYR A 34 7.729 5.011 4.902 1.00 0.00 N ATOM 546 CA TYR A 34 8.465 3.965 5.600 1.00 0.00 C ATOM 547 C TYR A 34 7.543 2.788 5.874 1.00 0.00 C ATOM 548 O TYR A 34 7.961 1.630 5.828 1.00 0.00 O ATOM 549 CB TYR A 34 9.050 4.498 6.909 1.00 0.00 C ATOM 550 CG TYR A 34 10.560 4.444 6.964 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.225 3.236 7.141 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.322 5.599 6.839 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.605 3.182 7.192 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.701 5.553 6.888 1.00 0.00 C ATOM 555 CZ TYR A 34 13.338 4.343 7.066 1.00 0.00 C ATOM 556 OH TYR A 34 14.713 4.293 7.115 1.00 0.00 O ATOM 0 H TYR A 34 7.644 5.887 5.418 1.00 0.00 H new ATOM 0 HA TYR A 34 9.290 3.634 4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.726 5.530 7.048 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.644 3.921 7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.654 2.325 7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.827 6.549 6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.107 2.236 7.330 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.278 6.460 6.787 1.00 0.00 H new ATOM 0 HH TYR A 34 15.077 5.197 7.009 1.00 0.00 H new ATOM 566 N ALA A 35 6.276 3.095 6.134 1.00 0.00 N ATOM 567 CA ALA A 35 5.280 2.066 6.387 1.00 0.00 C ATOM 568 C ALA A 35 5.047 1.259 5.120 1.00 0.00 C ATOM 569 O ALA A 35 4.879 0.040 5.164 1.00 0.00 O ATOM 570 CB ALA A 35 3.981 2.689 6.875 1.00 0.00 C ATOM 0 H ALA A 35 5.917 4.049 6.174 1.00 0.00 H new ATOM 0 HA ALA A 35 5.647 1.399 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.248 1.904 7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.165 3.237 7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.598 3.373 6.117 1.00 0.00 H new ATOM 576 N CYS A 36 5.060 1.955 3.986 1.00 0.00 N ATOM 577 CA CYS A 36 4.874 1.319 2.695 1.00 0.00 C ATOM 578 C CYS A 36 5.931 0.249 2.488 1.00 0.00 C ATOM 579 O CYS A 36 5.625 -0.888 2.134 1.00 0.00 O ATOM 580 CB CYS A 36 4.970 2.352 1.575 1.00 0.00 C ATOM 581 SG CYS A 36 4.103 3.916 1.918 1.00 0.00 S ATOM 0 H CYS A 36 5.199 2.965 3.941 1.00 0.00 H new ATOM 0 HA CYS A 36 3.885 0.862 2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.021 2.568 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.564 1.918 0.661 1.00 0.00 H new ATOM 586 N ASP A 37 7.180 0.634 2.718 1.00 0.00 N ATOM 587 CA ASP A 37 8.302 -0.281 2.566 1.00 0.00 C ATOM 588 C ASP A 37 8.109 -1.519 3.436 1.00 0.00 C ATOM 589 O ASP A 37 8.503 -2.622 3.060 1.00 0.00 O ATOM 590 CB ASP A 37 9.612 0.418 2.935 1.00 0.00 C ATOM 591 CG ASP A 37 10.757 0.020 2.024 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.622 0.188 0.793 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.787 -0.461 2.541 1.00 0.00 O ATOM 0 H ASP A 37 7.441 1.576 3.011 1.00 0.00 H new ATOM 0 HA ASP A 37 8.349 -0.593 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.471 1.498 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.871 0.177 3.966 1.00 0.00 H new ATOM 598 N ASP A 38 7.493 -1.325 4.599 1.00 0.00 N ATOM 599 CA ASP A 38 7.239 -2.425 5.522 1.00 0.00 C ATOM 600 C ASP A 38 6.194 -3.378 4.950 1.00 0.00 C ATOM 601 O ASP A 38 6.171 -4.564 5.282 1.00 0.00 O ATOM 602 CB ASP A 38 6.769 -1.886 6.875 1.00 0.00 C ATOM 603 CG ASP A 38 7.223 -2.754 8.032 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.442 -2.997 8.150 1.00 0.00 O ATOM 605 OD2 ASP A 38 6.358 -3.191 8.820 1.00 0.00 O ATOM 0 H ASP A 38 7.161 -0.417 4.924 1.00 0.00 H new ATOM 0 HA ASP A 38 8.170 -2.974 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.150 -0.874 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.681 -1.820 6.879 1.00 0.00 H new ATOM 610 N MET A 39 5.336 -2.851 4.082 1.00 0.00 N ATOM 611 CA MET A 39 4.291 -3.647 3.453 1.00 0.00 C ATOM 612 C MET A 39 4.719 -4.068 2.052 1.00 0.00 C ATOM 613 O MET A 39 4.047 -4.864 1.396 1.00 0.00 O ATOM 614 CB MET A 39 2.985 -2.855 3.385 1.00 0.00 C ATOM 615 CG MET A 39 2.567 -2.256 4.718 1.00 0.00 C ATOM 616 SD MET A 39 2.228 -3.510 5.968 1.00 0.00 S ATOM 617 CE MET A 39 2.945 -2.744 7.419 1.00 0.00 C ATOM 0 H MET A 39 5.345 -1.871 3.798 1.00 0.00 H new ATOM 0 HA MET A 39 4.128 -4.540 4.056 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.093 -2.054 2.654 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.191 -3.510 3.025 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.355 -1.594 5.077 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.677 -1.643 4.573 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.944 -3.147 7.587 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.009 -1.666 7.267 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.319 -2.952 8.287 1.00 0.00 H new ATOM 627 N GLU A 40 5.847 -3.516 1.611 1.00 0.00 N ATOM 628 CA GLU A 40 6.404 -3.808 0.293 1.00 0.00 C ATOM 629 C GLU A 40 5.562 -3.179 -0.810 1.00 0.00 C ATOM 630 O GLU A 40 5.350 -3.779 -1.864 1.00 0.00 O ATOM 631 CB GLU A 40 6.511 -5.317 0.073 1.00 0.00 C ATOM 632 CG GLU A 40 7.885 -5.884 0.390 1.00 0.00 C ATOM 633 CD GLU A 40 8.349 -6.897 -0.639 1.00 0.00 C ATOM 634 OE1 GLU A 40 8.326 -6.571 -1.845 1.00 0.00 O ATOM 635 OE2 GLU A 40 8.737 -8.015 -0.240 1.00 0.00 O ATOM 0 H GLU A 40 6.400 -2.855 2.157 1.00 0.00 H new ATOM 0 HA GLU A 40 7.404 -3.375 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.768 -5.819 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.265 -5.542 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.607 -5.069 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.862 -6.354 1.373 1.00 0.00 H new ATOM 642 N GLY A 41 5.087 -1.966 -0.558 1.00 0.00 N ATOM 643 CA GLY A 41 4.271 -1.271 -1.535 1.00 0.00 C ATOM 644 C GLY A 41 4.856 0.061 -1.959 1.00 0.00 C ATOM 645 O GLY A 41 6.001 0.133 -2.404 1.00 0.00 O ATOM 0 H GLY A 41 5.252 -1.450 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.149 -1.904 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.277 -1.108 -1.119 1.00 0.00 H new ATOM 649 N GLN A 42 4.052 1.110 -1.841 1.00 0.00 N ATOM 650 CA GLN A 42 4.467 2.451 -2.235 1.00 0.00 C ATOM 651 C GLN A 42 3.558 3.464 -1.583 1.00 0.00 C ATOM 652 O GLN A 42 2.452 3.122 -1.178 1.00 0.00 O ATOM 653 CB GLN A 42 4.384 2.609 -3.754 1.00 0.00 C ATOM 654 CG GLN A 42 4.642 4.029 -4.238 1.00 0.00 C ATOM 655 CD GLN A 42 4.381 4.196 -5.721 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.094 3.639 -6.556 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.353 4.966 -6.056 1.00 0.00 N ATOM 0 H GLN A 42 3.102 1.057 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 42 5.497 2.610 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.107 1.939 -4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.396 2.294 -4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.008 4.719 -3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.675 4.300 -4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.789 5.408 -5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.127 5.116 -7.039 1.00 0.00 H new ATOM 666 N LEU A 43 3.979 4.713 -1.487 1.00 0.00 N ATOM 667 CA LEU A 43 3.099 5.683 -0.893 1.00 0.00 C ATOM 668 C LEU A 43 2.038 6.005 -1.934 1.00 0.00 C ATOM 669 O LEU A 43 2.326 6.573 -2.988 1.00 0.00 O ATOM 670 CB LEU A 43 3.885 6.940 -0.493 1.00 0.00 C ATOM 671 CG LEU A 43 3.361 7.734 0.715 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.634 6.845 1.703 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.508 8.451 1.406 1.00 0.00 C ATOM 0 H LEU A 43 4.885 5.062 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 43 2.637 5.297 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.913 6.645 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.914 7.610 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 43 2.646 8.467 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.280 7.446 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.784 6.373 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.314 6.076 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.126 9.010 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.240 7.720 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.982 9.138 0.705 1.00 0.00 H new ATOM 685 N VAL A 44 0.821 5.584 -1.611 1.00 0.00 N ATOM 686 CA VAL A 44 -0.357 5.737 -2.464 1.00 0.00 C ATOM 687 C VAL A 44 -0.103 6.526 -3.737 1.00 0.00 C ATOM 688 O VAL A 44 -0.027 5.957 -4.828 1.00 0.00 O ATOM 689 CB VAL A 44 -1.503 6.398 -1.694 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.678 5.442 -1.588 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.027 6.836 -0.321 1.00 0.00 C ATOM 0 H VAL A 44 0.618 5.115 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.625 4.723 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.834 7.285 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.488 5.921 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.024 5.178 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.367 4.540 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.851 7.305 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.677 5.968 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.211 7.551 -0.430 1.00 0.00 H new ATOM 701 N SER A 45 -0.011 7.836 -3.594 1.00 0.00 N ATOM 702 CA SER A 45 0.194 8.719 -4.735 1.00 0.00 C ATOM 703 C SER A 45 -1.028 8.664 -5.646 1.00 0.00 C ATOM 704 O SER A 45 -0.918 8.410 -6.845 1.00 0.00 O ATOM 705 CB SER A 45 1.450 8.317 -5.513 1.00 0.00 C ATOM 706 OG SER A 45 2.352 9.403 -5.622 1.00 0.00 O ATOM 0 H SER A 45 -0.075 8.316 -2.696 1.00 0.00 H new ATOM 0 HA SER A 45 0.331 9.738 -4.372 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.940 7.482 -5.012 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.170 7.972 -6.508 1.00 0.00 H new ATOM 0 HG SER A 45 2.447 9.656 -6.564 1.00 0.00 H new ATOM 712 N ILE A 46 -2.197 8.885 -5.048 1.00 0.00 N ATOM 713 CA ILE A 46 -3.462 8.846 -5.776 1.00 0.00 C ATOM 714 C ILE A 46 -3.410 9.701 -7.036 1.00 0.00 C ATOM 715 O ILE A 46 -2.842 10.793 -7.038 1.00 0.00 O ATOM 716 CB ILE A 46 -4.656 9.309 -4.907 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.178 9.867 -3.558 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.635 8.161 -4.701 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.858 8.804 -2.526 1.00 0.00 C ATOM 0 H ILE A 46 -2.293 9.094 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.614 7.802 -6.050 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.169 10.113 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.290 10.476 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.947 10.527 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.470 8.500 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.008 7.823 -5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.128 7.336 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.528 9.281 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.749 8.209 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.066 8.157 -2.903 1.00 0.00 H new ATOM 731 N HIS A 47 -4.008 9.189 -8.108 1.00 0.00 N ATOM 732 CA HIS A 47 -4.037 9.894 -9.382 1.00 0.00 C ATOM 733 C HIS A 47 -5.443 9.901 -9.966 1.00 0.00 C ATOM 734 O HIS A 47 -5.680 10.473 -11.031 1.00 0.00 O ATOM 735 CB HIS A 47 -3.069 9.243 -10.371 1.00 0.00 C ATOM 736 CG HIS A 47 -3.101 7.746 -10.344 1.00 0.00 C ATOM 737 ND1 HIS A 47 -2.311 6.992 -9.502 1.00 0.00 N ATOM 738 CD2 HIS A 47 -3.833 6.863 -11.062 1.00 0.00 C ATOM 739 CE1 HIS A 47 -2.556 5.709 -9.704 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.476 5.604 -10.645 1.00 0.00 N ATOM 0 H HIS A 47 -4.480 8.285 -8.118 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.729 10.924 -9.205 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.307 9.585 -11.378 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.056 9.580 -10.151 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -1.642 7.366 -8.829 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.562 7.103 -11.822 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.084 4.887 -9.187 1.00 0.00 H new ATOM 749 N SER A 48 -6.376 9.266 -9.263 1.00 0.00 N ATOM 750 CA SER A 48 -7.756 9.204 -9.713 1.00 0.00 C ATOM 751 C SER A 48 -8.676 9.850 -8.689 1.00 0.00 C ATOM 752 O SER A 48 -8.714 9.430 -7.534 1.00 0.00 O ATOM 753 CB SER A 48 -8.175 7.753 -9.952 1.00 0.00 C ATOM 754 OG SER A 48 -8.345 7.491 -11.334 1.00 0.00 O ATOM 0 H SER A 48 -6.198 8.788 -8.380 1.00 0.00 H new ATOM 0 HA SER A 48 -7.836 9.751 -10.652 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.421 7.081 -9.542 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.106 7.548 -9.423 1.00 0.00 H new ATOM 0 HG SER A 48 -8.611 6.556 -11.459 1.00 0.00 H new ATOM 760 N PRO A 49 -9.435 10.882 -9.097 1.00 0.00 N ATOM 761 CA PRO A 49 -10.359 11.573 -8.198 1.00 0.00 C ATOM 762 C PRO A 49 -11.194 10.586 -7.394 1.00 0.00 C ATOM 763 O PRO A 49 -11.607 10.874 -6.271 1.00 0.00 O ATOM 764 CB PRO A 49 -11.234 12.381 -9.155 1.00 0.00 C ATOM 765 CG PRO A 49 -10.348 12.657 -10.320 1.00 0.00 C ATOM 766 CD PRO A 49 -9.458 11.451 -10.459 1.00 0.00 C ATOM 0 HA PRO A 49 -9.850 12.189 -7.456 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.120 11.820 -9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.582 13.305 -8.692 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.933 12.817 -11.226 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.759 13.560 -10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.855 10.741 -11.184 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.459 11.726 -10.796 1.00 0.00 H new ATOM 774 N GLU A 50 -11.421 9.411 -7.975 1.00 0.00 N ATOM 775 CA GLU A 50 -12.186 8.367 -7.314 1.00 0.00 C ATOM 776 C GLU A 50 -11.378 7.735 -6.195 1.00 0.00 C ATOM 777 O GLU A 50 -11.883 7.529 -5.095 1.00 0.00 O ATOM 778 CB GLU A 50 -12.601 7.285 -8.308 1.00 0.00 C ATOM 779 CG GLU A 50 -13.281 6.098 -7.654 1.00 0.00 C ATOM 780 CD GLU A 50 -13.252 4.857 -8.523 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.173 4.238 -8.639 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.308 4.504 -9.089 1.00 0.00 O ATOM 0 H GLU A 50 -11.084 9.161 -8.905 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.080 8.829 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.275 7.719 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.719 6.938 -8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.793 5.883 -6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.316 6.355 -7.429 1.00 0.00 H new ATOM 789 N GLU A 51 -10.123 7.418 -6.490 1.00 0.00 N ATOM 790 CA GLU A 51 -9.249 6.798 -5.514 1.00 0.00 C ATOM 791 C GLU A 51 -9.018 7.732 -4.334 1.00 0.00 C ATOM 792 O GLU A 51 -9.130 7.324 -3.179 1.00 0.00 O ATOM 793 CB GLU A 51 -7.919 6.410 -6.160 1.00 0.00 C ATOM 794 CG GLU A 51 -8.056 5.348 -7.240 1.00 0.00 C ATOM 795 CD GLU A 51 -6.732 5.016 -7.901 1.00 0.00 C ATOM 796 OE1 GLU A 51 -6.013 5.957 -8.297 1.00 0.00 O ATOM 797 OE2 GLU A 51 -6.415 3.813 -8.022 1.00 0.00 O ATOM 0 H GLU A 51 -9.692 7.582 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.731 5.892 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.461 7.300 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.241 6.046 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.477 4.443 -6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.760 5.694 -7.997 1.00 0.00 H new ATOM 804 N GLN A 52 -8.713 8.993 -4.630 1.00 0.00 N ATOM 805 CA GLN A 52 -8.486 9.982 -3.587 1.00 0.00 C ATOM 806 C GLN A 52 -9.742 10.133 -2.737 1.00 0.00 C ATOM 807 O GLN A 52 -9.669 10.243 -1.515 1.00 0.00 O ATOM 808 CB GLN A 52 -8.076 11.331 -4.195 1.00 0.00 C ATOM 809 CG GLN A 52 -9.249 12.214 -4.601 1.00 0.00 C ATOM 810 CD GLN A 52 -9.556 13.302 -3.585 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.191 14.305 -3.913 1.00 0.00 O ATOM 812 NE2 GLN A 52 -9.106 13.117 -2.347 1.00 0.00 N ATOM 0 H GLN A 52 -8.618 9.350 -5.581 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.669 9.641 -2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.462 11.870 -3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.453 11.148 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.032 12.676 -5.564 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.134 11.592 -4.737 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.584 12.272 -2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.283 13.820 -1.630 1.00 0.00 H new ATOM 821 N ASP A 53 -10.893 10.109 -3.401 1.00 0.00 N ATOM 822 CA ASP A 53 -12.178 10.212 -2.731 1.00 0.00 C ATOM 823 C ASP A 53 -12.444 8.940 -1.942 1.00 0.00 C ATOM 824 O ASP A 53 -13.055 8.967 -0.876 1.00 0.00 O ATOM 825 CB ASP A 53 -13.296 10.443 -3.748 1.00 0.00 C ATOM 826 CG ASP A 53 -14.590 10.886 -3.095 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.551 11.826 -2.274 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.645 10.291 -3.404 1.00 0.00 O ATOM 0 H ASP A 53 -10.958 10.018 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.154 11.062 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.978 11.198 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.471 9.524 -4.307 1.00 0.00 H new ATOM 833 N PHE A 54 -11.986 7.824 -2.497 1.00 0.00 N ATOM 834 CA PHE A 54 -12.165 6.521 -1.887 1.00 0.00 C ATOM 835 C PHE A 54 -11.526 6.476 -0.508 1.00 0.00 C ATOM 836 O PHE A 54 -12.165 6.100 0.475 1.00 0.00 O ATOM 837 CB PHE A 54 -11.516 5.470 -2.785 1.00 0.00 C ATOM 838 CG PHE A 54 -12.469 4.446 -3.313 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.719 3.286 -2.603 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.108 4.642 -4.523 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.594 2.336 -3.091 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.983 3.698 -5.020 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.228 2.541 -4.302 1.00 0.00 C ATOM 0 H PHE A 54 -11.481 7.802 -3.383 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.231 6.322 -1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.036 5.972 -3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.730 4.964 -2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.225 3.121 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.920 5.544 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.783 1.434 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.475 3.862 -5.967 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.913 1.800 -4.687 1.00 0.00 H new ATOM 853 N LEU A 55 -10.270 6.888 -0.440 1.00 0.00 N ATOM 854 CA LEU A 55 -9.547 6.924 0.820 1.00 0.00 C ATOM 855 C LEU A 55 -10.051 8.076 1.670 1.00 0.00 C ATOM 856 O LEU A 55 -10.093 7.991 2.895 1.00 0.00 O ATOM 857 CB LEU A 55 -8.052 7.076 0.580 1.00 0.00 C ATOM 858 CG LEU A 55 -7.682 7.957 -0.605 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.113 9.277 -0.123 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.699 7.238 -1.507 1.00 0.00 C ATOM 0 H LEU A 55 -9.729 7.203 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.719 5.984 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.594 7.489 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.620 6.087 0.428 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.582 8.167 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.853 9.896 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.856 9.793 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.220 9.092 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.443 7.879 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.796 7.000 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.150 6.317 -1.876 1.00 0.00 H new ATOM 872 N THR A 56 -10.432 9.157 0.996 1.00 0.00 N ATOM 873 CA THR A 56 -10.939 10.340 1.666 1.00 0.00 C ATOM 874 C THR A 56 -12.192 9.987 2.458 1.00 0.00 C ATOM 875 O THR A 56 -12.381 10.442 3.585 1.00 0.00 O ATOM 876 CB THR A 56 -11.239 11.442 0.638 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.350 12.533 0.790 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.646 11.989 0.717 1.00 0.00 C ATOM 0 H THR A 56 -10.397 9.233 -0.021 1.00 0.00 H new ATOM 0 HA THR A 56 -10.183 10.713 2.357 1.00 0.00 H new ATOM 0 HB THR A 56 -11.113 10.957 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.559 13.221 0.124 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.779 12.762 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.360 11.184 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.815 12.416 1.705 1.00 0.00 H new ATOM 886 N LYS A 57 -13.033 9.153 1.859 1.00 0.00 N ATOM 887 CA LYS A 57 -14.257 8.710 2.501 1.00 0.00 C ATOM 888 C LYS A 57 -13.925 7.690 3.578 1.00 0.00 C ATOM 889 O LYS A 57 -14.567 7.644 4.628 1.00 0.00 O ATOM 890 CB LYS A 57 -15.213 8.101 1.473 1.00 0.00 C ATOM 891 CG LYS A 57 -16.635 8.630 1.576 1.00 0.00 C ATOM 892 CD LYS A 57 -17.353 8.557 0.238 1.00 0.00 C ATOM 893 CE LYS A 57 -17.152 9.827 -0.572 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.591 11.039 0.174 1.00 0.00 N ATOM 0 H LYS A 57 -12.886 8.770 0.925 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.749 9.569 2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.832 8.301 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.227 7.018 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.186 8.053 2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.616 9.663 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.984 7.701 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.418 8.395 0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.099 9.926 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.710 9.754 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.163 11.642 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.160 10.753 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.757 11.569 0.498 1.00 0.00 H new ATOM 907 N HIS A 58 -12.905 6.878 3.309 1.00 0.00 N ATOM 908 CA HIS A 58 -12.470 5.864 4.255 1.00 0.00 C ATOM 909 C HIS A 58 -11.789 6.511 5.455 1.00 0.00 C ATOM 910 O HIS A 58 -11.757 5.941 6.545 1.00 0.00 O ATOM 911 CB HIS A 58 -11.513 4.879 3.579 1.00 0.00 C ATOM 912 CG HIS A 58 -11.414 3.563 4.283 1.00 0.00 C ATOM 913 ND1 HIS A 58 -10.827 3.415 5.523 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.832 2.328 3.918 1.00 0.00 C ATOM 915 CE1 HIS A 58 -10.887 2.146 5.888 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.493 1.466 4.933 1.00 0.00 N ATOM 0 H HIS A 58 -12.367 6.906 2.443 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.348 5.320 4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.843 4.710 2.554 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.521 5.328 3.524 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -10.412 4.167 6.072 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.338 2.069 3.000 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.505 1.735 6.811 1.00 0.00 H new ATOM 978 N GLY A 63 -7.250 12.269 8.496 1.00 0.00 N ATOM 979 CA GLY A 63 -6.903 12.295 7.085 1.00 0.00 C ATOM 980 C GLY A 63 -6.039 11.119 6.674 1.00 0.00 C ATOM 981 O GLY A 63 -5.889 10.155 7.424 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.816 12.295 6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.377 13.223 6.861 1.00 0.00 H new ATOM 985 N SER A 64 -5.473 11.201 5.474 1.00 0.00 N ATOM 986 CA SER A 64 -4.620 10.137 4.956 1.00 0.00 C ATOM 987 C SER A 64 -3.347 10.709 4.339 1.00 0.00 C ATOM 988 O SER A 64 -3.284 11.893 4.007 1.00 0.00 O ATOM 989 CB SER A 64 -5.380 9.313 3.915 1.00 0.00 C ATOM 990 OG SER A 64 -5.054 9.725 2.599 1.00 0.00 O ATOM 0 H SER A 64 -5.590 11.993 4.842 1.00 0.00 H new ATOM 0 HA SER A 64 -4.338 9.492 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.141 8.257 4.038 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.453 9.418 4.077 1.00 0.00 H new ATOM 0 HG SER A 64 -5.760 10.311 2.255 1.00 0.00 H new ATOM 996 N TRP A 65 -2.338 9.858 4.182 1.00 0.00 N ATOM 997 CA TRP A 65 -1.070 10.273 3.597 1.00 0.00 C ATOM 998 C TRP A 65 -0.945 9.733 2.182 1.00 0.00 C ATOM 999 O TRP A 65 -1.240 8.569 1.929 1.00 0.00 O ATOM 1000 CB TRP A 65 0.101 9.775 4.446 1.00 0.00 C ATOM 1001 CG TRP A 65 0.479 10.712 5.549 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.934 11.994 5.420 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.435 10.440 6.952 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.175 12.534 6.660 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.875 11.599 7.616 1.00 0.00 C ATOM 1006 CE3 TRP A 65 0.064 9.329 7.711 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.954 11.676 9.004 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 0.143 9.406 9.087 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.583 10.573 9.721 1.00 0.00 C ATOM 0 H TRP A 65 -2.375 8.875 4.453 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.044 11.362 3.568 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.157 8.807 4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.966 9.617 3.801 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.082 12.507 4.481 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.521 13.477 6.840 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.279 8.425 7.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.296 12.574 9.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.139 8.551 9.684 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.631 10.603 10.800 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.516 10.584 1.264 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.369 10.180 -0.127 1.00 0.00 C ATOM 1022 C ILE A 66 1.078 10.264 -0.582 1.00 0.00 C ATOM 1023 O ILE A 66 1.921 10.848 0.096 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.247 11.029 -1.058 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.579 12.375 -1.344 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.622 11.224 -0.437 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.529 13.427 -1.859 1.00 0.00 C ATOM 0 H ILE A 66 -0.264 11.554 1.454 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.697 9.142 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.367 10.507 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.109 12.739 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.216 12.228 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.240 11.827 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.094 10.253 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.519 11.732 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.983 14.353 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.980 13.085 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.311 13.604 -1.121 1.00 0.00 H new ATOM 1039 N GLY A 67 1.354 9.664 -1.732 1.00 0.00 N ATOM 1040 CA GLY A 67 2.697 9.666 -2.273 1.00 0.00 C ATOM 1041 C GLY A 67 3.092 10.999 -2.878 1.00 0.00 C ATOM 1042 O GLY A 67 3.496 11.060 -4.037 1.00 0.00 O ATOM 0 H GLY A 67 0.666 9.173 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.402 9.410 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.777 8.890 -3.034 1.00 0.00 H new ATOM 1046 N LEU A 68 2.983 12.068 -2.096 1.00 0.00 N ATOM 1047 CA LEU A 68 3.342 13.396 -2.578 1.00 0.00 C ATOM 1048 C LEU A 68 4.363 14.076 -1.669 1.00 0.00 C ATOM 1049 O LEU A 68 4.156 14.209 -0.462 1.00 0.00 O ATOM 1050 CB LEU A 68 2.095 14.281 -2.693 1.00 0.00 C ATOM 1051 CG LEU A 68 2.258 15.533 -3.562 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.119 16.575 -2.864 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.855 15.170 -4.907 1.00 0.00 C ATOM 0 H LEU A 68 2.651 12.041 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 68 3.794 13.267 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.280 13.681 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.796 14.590 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 68 1.269 15.963 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.218 17.452 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.651 16.863 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.106 16.158 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.964 16.070 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.833 14.712 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.198 14.467 -5.419 1.00 0.00 H new ATOM 1065 N ARG A 69 5.450 14.533 -2.280 1.00 0.00 N ATOM 1066 CA ARG A 69 6.508 15.241 -1.572 1.00 0.00 C ATOM 1067 C ARG A 69 6.992 16.417 -2.420 1.00 0.00 C ATOM 1068 O ARG A 69 7.438 16.228 -3.550 1.00 0.00 O ATOM 1069 CB ARG A 69 7.667 14.290 -1.256 1.00 0.00 C ATOM 1070 CG ARG A 69 8.993 14.995 -1.012 1.00 0.00 C ATOM 1071 CD ARG A 69 9.987 14.710 -2.125 1.00 0.00 C ATOM 1072 NE ARG A 69 11.229 15.460 -1.955 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.035 15.789 -2.959 1.00 0.00 C ATOM 1074 NH1 ARG A 69 11.731 15.438 -4.202 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.147 16.472 -2.723 1.00 0.00 N ATOM 0 H ARG A 69 5.622 14.423 -3.279 1.00 0.00 H new ATOM 0 HA ARG A 69 6.116 15.622 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.412 13.702 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.786 13.590 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.827 16.070 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.409 14.670 -0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.208 13.643 -2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.539 14.964 -3.085 1.00 0.00 H new ATOM 0 HE ARG A 69 11.492 15.747 -1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.876 14.914 -4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.352 15.692 -4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.385 16.746 -1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.764 16.724 -3.495 1.00 0.00 H new ATOM 1089 N ASN A 70 6.902 17.630 -1.883 1.00 0.00 N ATOM 1090 CA ASN A 70 7.333 18.812 -2.622 1.00 0.00 C ATOM 1091 C ASN A 70 8.785 19.155 -2.311 1.00 0.00 C ATOM 1092 O ASN A 70 9.299 18.824 -1.242 1.00 0.00 O ATOM 1093 CB ASN A 70 6.420 20.003 -2.310 1.00 0.00 C ATOM 1094 CG ASN A 70 7.176 21.193 -1.749 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.616 21.180 -0.600 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.330 22.231 -2.563 1.00 0.00 N ATOM 0 H ASN A 70 6.539 17.820 -0.949 1.00 0.00 H new ATOM 0 HA ASN A 70 7.261 18.588 -3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.900 20.305 -3.220 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.658 19.693 -1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.830 23.060 -2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.949 22.199 -3.508 1.00 0.00 H new ATOM 1196 N PHE A 77 5.478 19.958 -6.697 1.00 0.00 N ATOM 1197 CA PHE A 77 5.142 18.756 -5.946 1.00 0.00 C ATOM 1198 C PHE A 77 5.495 17.508 -6.747 1.00 0.00 C ATOM 1199 O PHE A 77 4.996 17.303 -7.853 1.00 0.00 O ATOM 1200 CB PHE A 77 3.649 18.738 -5.588 1.00 0.00 C ATOM 1201 CG PHE A 77 3.129 20.001 -4.943 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.960 21.089 -4.704 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.793 20.099 -4.584 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.470 22.242 -4.125 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.300 21.251 -4.002 1.00 0.00 C ATOM 1206 CZ PHE A 77 2.139 22.324 -3.773 1.00 0.00 C ATOM 0 HA PHE A 77 5.724 18.762 -5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.076 18.550 -6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.463 17.901 -4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.004 21.031 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.130 19.265 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.128 23.080 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.258 21.313 -3.726 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.754 23.225 -3.319 1.00 0.00 H new ATOM 1216 N ILE A 78 6.360 16.680 -6.177 1.00 0.00 N ATOM 1217 CA ILE A 78 6.790 15.449 -6.823 1.00 0.00 C ATOM 1218 C ILE A 78 6.362 14.240 -6.001 1.00 0.00 C ATOM 1219 O ILE A 78 6.414 14.266 -4.777 1.00 0.00 O ATOM 1220 CB ILE A 78 8.322 15.431 -7.023 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.656 15.675 -8.505 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.926 14.127 -6.510 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.427 14.553 -9.175 1.00 0.00 C ATOM 0 H ILE A 78 6.780 16.841 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 78 6.314 15.402 -7.802 1.00 0.00 H new ATOM 0 HB ILE A 78 8.767 16.236 -6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.726 15.835 -9.051 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.236 16.595 -8.586 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.005 14.141 -6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.712 14.020 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.493 13.287 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.617 14.813 -10.216 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.376 14.405 -8.659 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.843 13.634 -9.132 1.00 0.00 H new ATOM 1235 N TRP A 79 5.941 13.182 -6.677 1.00 0.00 N ATOM 1236 CA TRP A 79 5.505 11.975 -5.991 1.00 0.00 C ATOM 1237 C TRP A 79 6.700 11.211 -5.438 1.00 0.00 C ATOM 1238 O TRP A 79 7.803 11.293 -5.976 1.00 0.00 O ATOM 1239 CB TRP A 79 4.718 11.061 -6.939 1.00 0.00 C ATOM 1240 CG TRP A 79 3.428 11.646 -7.436 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.961 12.911 -7.231 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.440 10.978 -8.230 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.743 13.071 -7.846 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.403 11.898 -8.466 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.335 9.692 -8.764 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.273 11.571 -9.214 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.214 9.368 -9.506 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.197 10.304 -9.724 1.00 0.00 C ATOM 0 H TRP A 79 5.892 13.134 -7.695 1.00 0.00 H new ATOM 0 HA TRP A 79 4.858 12.279 -5.168 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.347 10.819 -7.796 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.504 10.124 -6.426 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.474 13.676 -6.667 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.183 13.924 -7.842 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.115 8.963 -8.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.513 12.291 -9.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.122 8.376 -9.924 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.666 10.020 -10.307 1.00 0.00 H new ATOM 1259 N VAL A 80 6.470 10.466 -4.363 1.00 0.00 N ATOM 1260 CA VAL A 80 7.525 9.676 -3.736 1.00 0.00 C ATOM 1261 C VAL A 80 8.105 8.674 -4.733 1.00 0.00 C ATOM 1262 O VAL A 80 9.253 8.245 -4.606 1.00 0.00 O ATOM 1263 CB VAL A 80 6.980 8.915 -2.509 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.597 8.372 -2.808 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.924 7.798 -2.087 1.00 0.00 C ATOM 0 H VAL A 80 5.561 10.392 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 80 8.309 10.360 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 80 6.909 9.613 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.220 7.836 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.926 9.197 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.649 7.691 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.512 7.281 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.042 7.091 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.895 8.220 -1.829 1.00 0.00 H new ATOM 1275 N ASP A 81 7.299 8.311 -5.726 1.00 0.00 N ATOM 1276 CA ASP A 81 7.722 7.364 -6.750 1.00 0.00 C ATOM 1277 C ASP A 81 8.632 8.040 -7.768 1.00 0.00 C ATOM 1278 O ASP A 81 9.142 7.397 -8.687 1.00 0.00 O ATOM 1279 CB ASP A 81 6.503 6.764 -7.454 1.00 0.00 C ATOM 1280 CG ASP A 81 6.844 5.505 -8.227 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.530 4.627 -7.661 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.425 5.396 -9.399 1.00 0.00 O ATOM 0 H ASP A 81 6.348 8.660 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 81 8.281 6.564 -6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.735 6.536 -6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.080 7.502 -8.135 1.00 0.00 H new ATOM 1287 N GLY A 82 8.834 9.340 -7.593 1.00 0.00 N ATOM 1288 CA GLY A 82 9.683 10.090 -8.493 1.00 0.00 C ATOM 1289 C GLY A 82 8.951 10.566 -9.732 1.00 0.00 C ATOM 1290 O GLY A 82 9.542 10.668 -10.808 1.00 0.00 O ATOM 0 H GLY A 82 8.422 9.889 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.093 10.951 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.527 9.468 -8.792 1.00 0.00 H new ATOM 1294 N SER A 83 7.662 10.858 -9.586 1.00 0.00 N ATOM 1295 CA SER A 83 6.857 11.327 -10.709 1.00 0.00 C ATOM 1296 C SER A 83 6.069 12.579 -10.338 1.00 0.00 C ATOM 1297 O SER A 83 5.295 12.575 -9.385 1.00 0.00 O ATOM 1298 CB SER A 83 5.899 10.226 -11.171 1.00 0.00 C ATOM 1299 OG SER A 83 5.479 10.442 -12.507 1.00 0.00 O ATOM 0 H SER A 83 7.154 10.779 -8.705 1.00 0.00 H new ATOM 0 HA SER A 83 7.535 11.579 -11.525 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.390 9.256 -11.093 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.030 10.197 -10.514 1.00 0.00 H new ATOM 0 HG SER A 83 4.869 9.724 -12.778 1.00 0.00 H new ATOM 1305 N HIS A 84 6.267 13.651 -11.099 1.00 0.00 N ATOM 1306 CA HIS A 84 5.572 14.907 -10.847 1.00 0.00 C ATOM 1307 C HIS A 84 4.059 14.708 -10.874 1.00 0.00 C ATOM 1308 O HIS A 84 3.548 13.862 -11.608 1.00 0.00 O ATOM 1309 CB HIS A 84 5.979 15.958 -11.881 1.00 0.00 C ATOM 1310 CG HIS A 84 5.754 15.524 -13.296 1.00 0.00 C ATOM 1311 ND1 HIS A 84 4.642 15.883 -14.028 1.00 0.00 N ATOM 1312 CD2 HIS A 84 6.509 14.754 -14.118 1.00 0.00 C ATOM 1313 CE1 HIS A 84 4.720 15.353 -15.236 1.00 0.00 C ATOM 1314 NE2 HIS A 84 5.843 14.664 -15.316 1.00 0.00 N ATOM 0 H HIS A 84 6.904 13.674 -11.896 1.00 0.00 H new ATOM 0 HA HIS A 84 5.856 15.256 -9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.417 16.874 -11.697 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.034 16.199 -11.747 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.457 14.297 -13.876 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.989 15.465 -16.024 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.164 14.148 -16.135 1.00 0.00 H new ATOM 1323 N VAL A 85 3.352 15.494 -10.067 1.00 0.00 N ATOM 1324 CA VAL A 85 1.897 15.411 -9.992 1.00 0.00 C ATOM 1325 C VAL A 85 1.265 15.533 -11.376 1.00 0.00 C ATOM 1326 O VAL A 85 1.853 16.115 -12.287 1.00 0.00 O ATOM 1327 CB VAL A 85 1.318 16.508 -9.076 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.171 16.302 -8.867 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.045 16.533 -7.741 1.00 0.00 C ATOM 0 H VAL A 85 3.765 16.197 -9.454 1.00 0.00 H new ATOM 0 HA VAL A 85 1.658 14.434 -9.573 1.00 0.00 H new ATOM 0 HB VAL A 85 1.466 17.471 -9.565 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.559 17.087 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.682 16.341 -9.829 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.342 15.330 -8.404 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.621 17.314 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.933 15.567 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.103 16.735 -7.907 1.00 0.00 H new ATOM 1339 N ASP A 86 0.065 14.977 -11.527 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.641 15.022 -12.802 1.00 0.00 C ATOM 1341 C ASP A 86 -2.023 15.654 -12.648 1.00 0.00 C ATOM 1342 O ASP A 86 -2.490 16.366 -13.538 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.777 13.613 -13.382 1.00 0.00 C ATOM 1344 CG ASP A 86 0.550 13.054 -13.857 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.202 13.708 -14.699 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.937 11.963 -13.389 1.00 0.00 O ATOM 0 H ASP A 86 -0.437 14.492 -10.783 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.057 15.639 -13.485 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.198 12.950 -12.626 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.480 13.632 -14.215 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.676 15.388 -11.520 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.006 15.933 -11.264 1.00 0.00 C ATOM 1353 C TYR A 87 -3.994 16.902 -10.087 1.00 0.00 C ATOM 1354 O TYR A 87 -4.526 18.008 -10.179 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.004 14.801 -11.000 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.402 14.042 -12.246 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -4.610 13.011 -12.736 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.568 14.358 -12.930 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -4.971 12.315 -13.873 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -6.935 13.666 -14.069 1.00 0.00 C ATOM 1361 CZ TYR A 87 -6.134 12.645 -14.537 1.00 0.00 C ATOM 1362 OH TYR A 87 -6.497 11.955 -15.670 1.00 0.00 O ATOM 0 H TYR A 87 -2.308 14.801 -10.772 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.315 16.484 -12.152 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.569 14.104 -10.284 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.899 15.217 -10.537 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.698 12.750 -12.220 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.198 15.157 -12.567 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.345 11.515 -14.241 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.845 13.924 -14.590 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.342 12.312 -16.014 1.00 0.00 H new ATOM 1372 N SER A 88 -3.387 16.473 -8.984 1.00 0.00 N ATOM 1373 CA SER A 88 -3.300 17.291 -7.771 1.00 0.00 C ATOM 1374 C SER A 88 -4.691 17.596 -7.220 1.00 0.00 C ATOM 1375 O SER A 88 -5.653 17.726 -7.976 1.00 0.00 O ATOM 1376 CB SER A 88 -2.545 18.594 -8.043 1.00 0.00 C ATOM 1377 OG SER A 88 -2.060 18.646 -9.375 1.00 0.00 O ATOM 0 H SER A 88 -2.944 15.558 -8.902 1.00 0.00 H new ATOM 0 HA SER A 88 -2.748 16.720 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.205 19.443 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.711 18.684 -7.347 1.00 0.00 H new ATOM 0 HG SER A 88 -1.584 19.491 -9.517 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.798 17.696 -5.897 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.084 17.968 -5.266 1.00 0.00 C ATOM 1385 C ASN A 89 -5.987 19.036 -4.173 1.00 0.00 C ATOM 1386 O ASN A 89 -7.015 19.469 -3.655 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.653 16.676 -4.678 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.133 15.706 -5.737 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.343 16.077 -6.891 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.313 14.452 -5.343 1.00 0.00 N ATOM 0 H ASN A 89 -4.018 17.594 -5.248 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.749 18.355 -6.038 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.889 16.192 -4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.482 16.920 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.638 13.750 -6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.126 14.190 -4.375 1.00 0.00 H new ATOM 1592 N CYS A 104 4.653 18.302 1.959 1.00 0.00 N ATOM 1593 CA CYS A 104 3.900 17.104 1.601 1.00 0.00 C ATOM 1594 C CYS A 104 2.415 17.419 1.490 1.00 0.00 C ATOM 1595 O CYS A 104 1.973 18.510 1.846 1.00 0.00 O ATOM 1596 CB CYS A 104 4.124 15.986 2.626 1.00 0.00 C ATOM 1597 SG CYS A 104 5.875 15.556 2.898 1.00 0.00 S ATOM 0 HA CYS A 104 4.261 16.760 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.684 16.287 3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 104 3.590 15.095 2.296 1.00 0.00 H new ATOM 0 HG CYS A 104 5.991 14.267 3.025 1.00 0.00 H new ATOM 1602 N VAL A 105 1.650 16.465 0.982 1.00 0.00 N ATOM 1603 CA VAL A 105 0.220 16.654 0.819 1.00 0.00 C ATOM 1604 C VAL A 105 -0.578 15.669 1.664 1.00 0.00 C ATOM 1605 O VAL A 105 -0.242 14.488 1.759 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.197 16.523 -0.656 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.710 16.500 -0.794 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.385 17.667 -1.464 1.00 0.00 C ATOM 0 H VAL A 105 1.996 15.555 0.677 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.003 17.665 1.161 1.00 0.00 H new ATOM 0 HB VAL A 105 0.193 15.580 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.978 16.407 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.113 15.652 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.126 17.425 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.084 17.566 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.017 18.615 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.473 17.644 -1.396 1.00 0.00 H new ATOM 1618 N MET A 106 -1.644 16.176 2.266 1.00 0.00 N ATOM 1619 CA MET A 106 -2.523 15.378 3.103 1.00 0.00 C ATOM 1620 C MET A 106 -3.924 15.368 2.511 1.00 0.00 C ATOM 1621 O MET A 106 -4.214 16.114 1.581 1.00 0.00 O ATOM 1622 CB MET A 106 -2.557 15.928 4.531 1.00 0.00 C ATOM 1623 CG MET A 106 -3.123 17.335 4.629 1.00 0.00 C ATOM 1624 SD MET A 106 -2.179 18.388 5.746 1.00 0.00 S ATOM 1625 CE MET A 106 -0.537 18.243 5.046 1.00 0.00 C ATOM 0 H MET A 106 -1.923 17.154 2.187 1.00 0.00 H new ATOM 0 HA MET A 106 -2.141 14.358 3.140 1.00 0.00 H new ATOM 0 HB2 MET A 106 -3.154 15.261 5.154 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.546 15.923 4.937 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.138 17.786 3.637 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.157 17.283 4.971 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.005 19.186 5.168 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.008 17.450 5.558 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.613 18.004 3.985 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.555 16.985 -1.164 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.257 17.098 -0.517 1.00 0.00 C ATOM 1727 C TRP A 113 -6.016 18.498 -0.003 1.00 0.00 C ATOM 1728 O TRP A 113 -6.606 19.466 -0.478 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.114 16.837 -1.486 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.087 15.505 -2.149 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.923 14.445 -1.969 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.138 15.116 -3.132 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.543 13.411 -2.794 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.441 13.801 -3.515 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.053 15.770 -3.722 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.690 13.118 -4.471 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.310 15.094 -4.672 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.630 13.778 -5.037 1.00 0.00 C ATOM 0 HA TRP A 113 -6.277 16.363 0.288 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.145 17.602 -2.262 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.175 16.967 -0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.757 14.420 -1.283 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.004 12.504 -2.859 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.800 16.782 -3.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -3.935 12.105 -4.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.471 15.587 -5.140 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.029 13.274 -5.779 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.070 18.596 0.904 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.644 19.867 1.420 1.00 0.00 C ATOM 1751 C ASN A 114 -3.123 19.871 1.448 1.00 0.00 C ATOM 1752 O ASN A 114 -2.500 19.042 2.111 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.208 20.107 2.821 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.682 20.461 2.798 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.541 19.609 3.025 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -6.982 21.724 2.521 1.00 0.00 N ATOM 0 H ASN A 114 -4.578 17.795 1.301 1.00 0.00 H new ATOM 0 HA ASN A 114 -5.014 20.670 0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -5.061 19.213 3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.651 20.912 3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.957 22.022 2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.237 22.397 2.339 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.532 20.797 0.712 1.00 0.00 N ATOM 1764 CA ASP A 115 -1.087 20.903 0.632 1.00 0.00 C ATOM 1765 C ASP A 115 -0.524 21.675 1.822 1.00 0.00 C ATOM 1766 O ASP A 115 -0.739 22.880 1.952 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.697 21.579 -0.679 1.00 0.00 C ATOM 1768 CG ASP A 115 0.803 21.581 -0.894 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.381 20.487 -1.060 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.400 22.678 -0.894 1.00 0.00 O ATOM 0 H ASP A 115 -3.036 21.490 0.158 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.662 19.900 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.181 21.065 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.065 22.605 -0.681 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.231 10.909 11.312 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.309 9.780 12.225 1.00 0.00 C ATOM 1893 C GLY A 123 -3.456 8.443 11.522 1.00 0.00 C ATOM 1894 O GLY A 123 -3.479 7.399 12.175 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.411 9.760 12.843 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.155 9.924 12.897 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.558 8.462 10.197 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.703 7.229 9.432 1.00 0.00 C ATOM 1900 C ALA A 124 -2.687 7.157 8.299 1.00 0.00 C ATOM 1901 O ALA A 124 -2.551 8.096 7.516 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.117 7.115 8.881 1.00 0.00 C ATOM 0 H ALA A 124 -3.543 9.312 9.634 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.515 6.392 10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.212 6.190 8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.829 7.108 9.706 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.323 7.965 8.230 1.00 0.00 H new ATOM 1908 N TRP A 125 -1.980 6.031 8.209 1.00 0.00 N ATOM 1909 CA TRP A 125 -0.983 5.837 7.166 1.00 0.00 C ATOM 1910 C TRP A 125 -1.557 4.995 6.037 1.00 0.00 C ATOM 1911 O TRP A 125 -2.213 3.975 6.275 1.00 0.00 O ATOM 1912 CB TRP A 125 0.267 5.166 7.734 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.017 3.856 8.400 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.473 3.670 9.670 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.130 2.552 7.829 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.622 2.330 9.926 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.256 1.621 8.812 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.549 2.079 6.582 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.236 0.247 8.587 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.570 0.714 6.360 1.00 0.00 C ATOM 1921 CH2 TRP A 125 0.179 -0.188 7.358 1.00 0.00 C ATOM 0 H TRP A 125 -2.082 5.242 8.847 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.705 6.815 6.773 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.985 5.009 6.929 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.737 5.837 8.453 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.686 4.462 10.373 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -0.952 1.927 10.803 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.851 2.767 5.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.537 -0.450 9.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.893 0.337 5.401 1.00 0.00 H new ATOM 0 HH2 TRP A 125 0.206 -1.248 7.153 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.320 5.430 4.809 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.829 4.717 3.655 1.00 0.00 C ATOM 1934 C VAL A 126 -0.759 4.510 2.578 1.00 0.00 C ATOM 1935 O VAL A 126 -0.080 5.447 2.159 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.061 5.435 3.063 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.059 6.905 3.422 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.148 5.239 1.558 1.00 0.00 C ATOM 0 H VAL A 126 -0.782 6.268 4.590 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.131 3.729 4.003 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.949 4.983 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.938 7.386 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.079 7.015 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.158 7.375 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.027 5.757 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.253 5.644 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.227 4.175 1.334 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.637 3.259 2.139 1.00 0.00 N ATOM 1949 CA CYS A 127 0.321 2.858 1.101 1.00 0.00 C ATOM 1950 C CYS A 127 -0.326 1.835 0.181 1.00 0.00 C ATOM 1951 O CYS A 127 -1.337 1.254 0.533 1.00 0.00 O ATOM 1952 CB CYS A 127 1.588 2.260 1.712 1.00 0.00 C ATOM 1953 SG CYS A 127 2.427 3.342 2.908 1.00 0.00 S ATOM 0 H CYS A 127 -1.202 2.487 2.493 1.00 0.00 H new ATOM 0 HA CYS A 127 0.601 3.748 0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.331 1.323 2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.284 2.017 0.909 1.00 0.00 H new ATOM 1958 N ASP A 128 0.244 1.593 -0.989 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.342 0.617 -1.888 1.00 0.00 C ATOM 1960 C ASP A 128 0.665 -0.454 -2.263 1.00 0.00 C ATOM 1961 O ASP A 128 1.849 -0.183 -2.442 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.870 1.303 -3.149 1.00 0.00 C ATOM 1963 CG ASP A 128 0.221 2.030 -3.910 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.795 2.990 -3.355 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.500 1.641 -5.064 1.00 0.00 O ATOM 0 H ASP A 128 1.091 2.047 -1.331 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.173 0.139 -1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.329 0.558 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.652 2.011 -2.874 1.00 0.00 H new ATOM 1970 N ARG A 129 0.164 -1.673 -2.378 1.00 0.00 N ATOM 1971 CA ARG A 129 0.981 -2.826 -2.725 1.00 0.00 C ATOM 1972 C ARG A 129 0.117 -3.902 -3.366 1.00 0.00 C ATOM 1973 O ARG A 129 -1.077 -3.992 -3.088 1.00 0.00 O ATOM 1974 CB ARG A 129 1.664 -3.383 -1.472 1.00 0.00 C ATOM 1975 CG ARG A 129 2.415 -4.685 -1.706 1.00 0.00 C ATOM 1976 CD ARG A 129 1.970 -5.767 -0.735 1.00 0.00 C ATOM 1977 NE ARG A 129 2.934 -6.861 -0.655 1.00 0.00 N ATOM 1978 CZ ARG A 129 3.005 -7.707 0.368 1.00 0.00 C ATOM 1979 NH1 ARG A 129 2.174 -7.585 1.394 1.00 0.00 N ATOM 1980 NH2 ARG A 129 3.910 -8.678 0.365 1.00 0.00 N ATOM 0 H ARG A 129 -0.822 -1.892 -2.233 1.00 0.00 H new ATOM 0 HA ARG A 129 1.746 -2.514 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.360 -2.637 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.911 -3.543 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 129 2.250 -5.023 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.486 -4.514 -1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.833 -5.332 0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.002 -6.159 -1.048 1.00 0.00 H new ATOM 0 HE ARG A 129 3.589 -6.983 -1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.477 -6.840 1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.232 -8.236 2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.551 -8.775 -0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.964 -9.327 1.150 1.00 0.00 H new ATOM 1994 N LEU A 130 0.721 -4.717 -4.217 1.00 0.00 N ATOM 1995 CA LEU A 130 -0.012 -5.783 -4.888 1.00 0.00 C ATOM 1996 C LEU A 130 -0.476 -6.835 -3.886 1.00 0.00 C ATOM 1997 O LEU A 130 0.172 -7.062 -2.865 1.00 0.00 O ATOM 1998 CB LEU A 130 0.856 -6.427 -5.972 1.00 0.00 C ATOM 1999 CG LEU A 130 1.529 -5.445 -6.939 1.00 0.00 C ATOM 2000 CD1 LEU A 130 1.914 -6.150 -8.230 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.618 -4.259 -7.232 1.00 0.00 C ATOM 0 H LEU A 130 1.710 -4.663 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.893 -5.347 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.630 -7.024 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.238 -7.114 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 130 2.435 -5.068 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.390 -5.439 -8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.608 -6.961 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.020 -6.556 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.118 -3.577 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.309 -4.615 -7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.392 -3.736 -6.303 1.00 0.00 H new