USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 256 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 SER OG : rot -142:sc= 0.0017 USER MOD Single : A 13 ASN : amide:sc= -0.903 X(o=-0.9,f=-0.91) USER MOD Single : A 18 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.14) USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= -1.03 (180deg=-1.47) USER MOD Single : A 21 THR OG1 : rot 140:sc= -0.264 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.418 F(o=-1.4,f=-0.42) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= 0.0245 (180deg=-0.38) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 0.516 (180deg=0.391) USER MOD ----------------------------------------------------------------- ATOM 136 N ASP A 8 -2.901 5.972 1.910 1.00 0.00 N ATOM 137 CA ASP A 8 -2.221 4.872 2.572 1.00 0.00 C ATOM 138 C ASP A 8 -2.835 3.540 2.166 1.00 0.00 C ATOM 139 O ASP A 8 -3.304 3.377 1.042 1.00 0.00 O ATOM 140 CB ASP A 8 -2.309 5.030 4.089 1.00 0.00 C ATOM 141 CG ASP A 8 -0.945 5.154 4.741 1.00 0.00 C ATOM 142 OD1 ASP A 8 -0.352 6.250 4.672 1.00 0.00 O ATOM 143 OD2 ASP A 8 -0.473 4.154 5.320 1.00 0.00 O ATOM 0 HA ASP A 8 -1.175 4.889 2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.902 5.913 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.833 4.172 4.510 1.00 0.00 H new ATOM 148 N CYS A 9 -2.829 2.597 3.097 1.00 0.00 N ATOM 149 CA CYS A 9 -3.389 1.275 2.857 1.00 0.00 C ATOM 150 C CYS A 9 -4.621 1.050 3.719 1.00 0.00 C ATOM 151 O CYS A 9 -5.637 0.540 3.250 1.00 0.00 O ATOM 152 CB CYS A 9 -2.351 0.197 3.162 1.00 0.00 C ATOM 153 SG CYS A 9 -2.960 -1.501 2.913 1.00 0.00 S ATOM 0 H CYS A 9 -2.440 2.724 4.031 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.675 1.214 1.807 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.478 0.357 2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.020 0.306 4.195 1.00 0.00 H new ATOM 158 N GLU A 10 -4.521 1.435 4.986 1.00 0.00 N ATOM 159 CA GLU A 10 -5.628 1.274 5.922 1.00 0.00 C ATOM 160 C GLU A 10 -6.766 2.235 5.597 1.00 0.00 C ATOM 161 O GLU A 10 -7.923 1.975 5.927 1.00 0.00 O ATOM 162 CB GLU A 10 -5.148 1.500 7.357 1.00 0.00 C ATOM 163 CG GLU A 10 -5.515 0.371 8.305 1.00 0.00 C ATOM 164 CD GLU A 10 -6.921 0.505 8.856 1.00 0.00 C ATOM 165 OE1 GLU A 10 -7.640 1.433 8.429 1.00 0.00 O ATOM 166 OE2 GLU A 10 -7.305 -0.318 9.714 1.00 0.00 O ATOM 0 H GLU A 10 -3.686 1.860 5.389 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.002 0.255 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.065 1.623 7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.574 2.431 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.423 -0.581 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.805 0.351 9.132 1.00 0.00 H new ATOM 173 N SER A 11 -6.432 3.341 4.942 1.00 0.00 N ATOM 174 CA SER A 11 -7.429 4.335 4.569 1.00 0.00 C ATOM 175 C SER A 11 -8.287 3.818 3.423 1.00 0.00 C ATOM 176 O SER A 11 -9.225 4.480 2.982 1.00 0.00 O ATOM 177 CB SER A 11 -6.751 5.646 4.167 1.00 0.00 C ATOM 178 OG SER A 11 -5.751 5.423 3.187 1.00 0.00 O ATOM 0 H SER A 11 -5.479 3.571 4.659 1.00 0.00 H new ATOM 0 HA SER A 11 -8.069 4.522 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.496 6.341 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.306 6.113 5.045 1.00 0.00 H new ATOM 0 HG SER A 11 -4.989 6.015 3.356 1.00 0.00 H new ATOM 184 N ILE A 12 -7.945 2.629 2.943 1.00 0.00 N ATOM 185 CA ILE A 12 -8.664 2.009 1.847 1.00 0.00 C ATOM 186 C ILE A 12 -9.198 0.639 2.252 1.00 0.00 C ATOM 187 O ILE A 12 -9.842 -0.049 1.459 1.00 0.00 O ATOM 188 CB ILE A 12 -7.748 1.848 0.627 1.00 0.00 C ATOM 189 CG1 ILE A 12 -6.326 1.511 1.075 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.753 3.118 -0.210 1.00 0.00 C ATOM 191 CD1 ILE A 12 -5.664 2.624 1.856 1.00 0.00 C ATOM 0 H ILE A 12 -7.168 2.074 3.302 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.502 2.658 1.592 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.124 1.029 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.350 0.611 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.721 1.283 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.098 2.988 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.767 3.324 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.397 3.953 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.658 2.319 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.609 3.520 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.248 2.837 2.752 1.00 0.00 H new ATOM 203 N ASN A 13 -8.923 0.253 3.491 1.00 0.00 N ATOM 204 CA ASN A 13 -9.370 -1.035 4.012 1.00 0.00 C ATOM 205 C ASN A 13 -8.448 -2.159 3.551 1.00 0.00 C ATOM 206 O ASN A 13 -8.902 -3.258 3.234 1.00 0.00 O ATOM 207 CB ASN A 13 -10.804 -1.321 3.564 1.00 0.00 C ATOM 208 CG ASN A 13 -11.317 -2.649 4.084 1.00 0.00 C ATOM 209 OD1 ASN A 13 -11.259 -2.924 5.282 1.00 0.00 O ATOM 210 ND2 ASN A 13 -11.825 -3.481 3.182 1.00 0.00 N ATOM 0 H ASN A 13 -8.391 0.814 4.156 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.339 -0.988 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.457 -0.521 3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -10.849 -1.318 2.475 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.187 -4.389 3.473 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.853 -3.212 2.199 1.00 0.00 H new ATOM 217 N GLY A 14 -7.149 -1.876 3.518 1.00 0.00 N ATOM 218 CA GLY A 14 -6.180 -2.871 3.098 1.00 0.00 C ATOM 219 C GLY A 14 -5.243 -3.276 4.219 1.00 0.00 C ATOM 220 O GLY A 14 -5.461 -2.920 5.377 1.00 0.00 O ATOM 0 H GLY A 14 -6.750 -0.973 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.705 -3.753 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.597 -2.477 2.265 1.00 0.00 H new ATOM 224 N VAL A 15 -4.197 -4.022 3.876 1.00 0.00 N ATOM 225 CA VAL A 15 -3.224 -4.474 4.865 1.00 0.00 C ATOM 226 C VAL A 15 -1.827 -3.971 4.522 1.00 0.00 C ATOM 227 O VAL A 15 -1.505 -3.748 3.357 1.00 0.00 O ATOM 228 CB VAL A 15 -3.201 -6.011 4.963 1.00 0.00 C ATOM 229 CG1 VAL A 15 -2.593 -6.619 3.709 1.00 0.00 C ATOM 230 CG2 VAL A 15 -2.440 -6.458 6.202 1.00 0.00 C ATOM 0 H VAL A 15 -4.002 -4.326 2.922 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.528 -4.063 5.828 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.229 -6.364 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.586 -7.705 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.185 -6.330 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.572 -6.258 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.435 -7.547 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.414 -6.093 6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.924 -6.055 7.092 1.00 0.00 H new ATOM 240 N CYS A 16 -1.001 -3.788 5.545 1.00 0.00 N ATOM 241 CA CYS A 16 0.359 -3.306 5.344 1.00 0.00 C ATOM 242 C CYS A 16 1.372 -4.424 5.559 1.00 0.00 C ATOM 243 O CYS A 16 1.781 -4.698 6.687 1.00 0.00 O ATOM 244 CB CYS A 16 0.654 -2.141 6.289 1.00 0.00 C ATOM 245 SG CYS A 16 0.701 -0.517 5.468 1.00 0.00 S ATOM 0 H CYS A 16 -1.248 -3.965 6.519 1.00 0.00 H new ATOM 0 HA CYS A 16 0.446 -2.959 4.314 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.105 -2.120 7.071 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.612 -2.317 6.779 1.00 0.00 H new ATOM 250 N ARG A 17 1.774 -5.067 4.468 1.00 0.00 N ATOM 251 CA ARG A 17 2.741 -6.157 4.533 1.00 0.00 C ATOM 252 C ARG A 17 4.049 -5.763 3.856 1.00 0.00 C ATOM 253 O ARG A 17 4.288 -4.587 3.581 1.00 0.00 O ATOM 254 CB ARG A 17 2.168 -7.414 3.875 1.00 0.00 C ATOM 255 CG ARG A 17 1.782 -8.498 4.868 1.00 0.00 C ATOM 256 CD ARG A 17 1.614 -9.846 4.185 1.00 0.00 C ATOM 257 NE ARG A 17 0.722 -10.730 4.929 1.00 0.00 N ATOM 258 CZ ARG A 17 0.901 -12.044 5.030 1.00 0.00 C ATOM 259 NH1 ARG A 17 1.937 -12.622 4.436 1.00 0.00 N ATOM 260 NH2 ARG A 17 0.045 -12.780 5.726 1.00 0.00 N ATOM 0 H ARG A 17 1.445 -4.852 3.527 1.00 0.00 H new ATOM 0 HA ARG A 17 2.946 -6.368 5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.290 -7.140 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.903 -7.816 3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.547 -8.574 5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.852 -8.223 5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.220 -9.696 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.589 -10.322 4.078 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.084 -10.317 5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.598 -12.058 3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.073 -13.630 4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.752 -12.338 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.184 -13.788 5.803 1.00 0.00 H new ATOM 274 N HIS A 18 4.893 -6.755 3.590 1.00 0.00 N ATOM 275 CA HIS A 18 6.177 -6.514 2.945 1.00 0.00 C ATOM 276 C HIS A 18 6.019 -6.438 1.432 1.00 0.00 C ATOM 277 O HIS A 18 5.309 -7.243 0.830 1.00 0.00 O ATOM 278 CB HIS A 18 7.170 -7.618 3.306 1.00 0.00 C ATOM 279 CG HIS A 18 8.441 -7.106 3.910 1.00 0.00 C ATOM 280 ND1 HIS A 18 9.645 -7.769 3.800 1.00 0.00 N ATOM 281 CD2 HIS A 18 8.692 -5.988 4.630 1.00 0.00 C ATOM 282 CE1 HIS A 18 10.583 -7.081 4.429 1.00 0.00 C ATOM 283 NE2 HIS A 18 10.030 -5.995 4.939 1.00 0.00 N ATOM 0 H HIS A 18 4.710 -7.734 3.812 1.00 0.00 H new ATOM 0 HA HIS A 18 6.559 -5.558 3.304 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.696 -8.307 4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.408 -8.189 2.409 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.974 -5.231 4.909 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.623 -7.359 4.512 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.518 -5.278 5.476 1.00 0.00 H new ATOM 292 N LYS A 19 6.690 -5.469 0.826 1.00 0.00 N ATOM 293 CA LYS A 19 6.632 -5.289 -0.620 1.00 0.00 C ATOM 294 C LYS A 19 7.186 -6.515 -1.336 1.00 0.00 C ATOM 295 O LYS A 19 7.189 -6.583 -2.565 1.00 0.00 O ATOM 296 CB LYS A 19 7.414 -4.042 -1.035 1.00 0.00 C ATOM 297 CG LYS A 19 8.316 -3.494 0.060 1.00 0.00 C ATOM 298 CD LYS A 19 9.372 -2.558 -0.504 1.00 0.00 C ATOM 299 CE LYS A 19 9.981 -1.684 0.582 1.00 0.00 C ATOM 300 NZ LYS A 19 10.036 -0.252 0.178 1.00 0.00 N ATOM 0 H LYS A 19 7.281 -4.795 1.312 1.00 0.00 H new ATOM 0 HA LYS A 19 5.588 -5.161 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.021 -4.279 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.710 -3.266 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.714 -2.963 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.801 -4.320 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.157 -3.141 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.927 -1.927 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.396 -1.781 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.987 -2.036 0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.828 0.216 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.174 -0.187 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.145 0.217 0.438 1.00 0.00 H new ATOM 314 N ASP A 20 7.652 -7.484 -0.554 1.00 0.00 N ATOM 315 CA ASP A 20 8.206 -8.713 -1.106 1.00 0.00 C ATOM 316 C ASP A 20 7.565 -9.932 -0.452 1.00 0.00 C ATOM 317 O ASP A 20 8.160 -11.008 -0.402 1.00 0.00 O ATOM 318 CB ASP A 20 9.722 -8.749 -0.906 1.00 0.00 C ATOM 319 CG ASP A 20 10.468 -9.042 -2.194 1.00 0.00 C ATOM 320 OD1 ASP A 20 9.817 -9.097 -3.258 1.00 0.00 O ATOM 321 OD2 ASP A 20 11.704 -9.217 -2.137 1.00 0.00 O ATOM 0 H ASP A 20 7.656 -7.441 0.465 1.00 0.00 H new ATOM 0 HA ASP A 20 7.989 -8.736 -2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.056 -7.792 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.970 -9.509 -0.165 1.00 0.00 H new ATOM 326 N THR A 21 6.346 -9.753 0.048 1.00 0.00 N ATOM 327 CA THR A 21 5.621 -10.836 0.699 1.00 0.00 C ATOM 328 C THR A 21 5.703 -12.109 -0.128 1.00 0.00 C ATOM 329 O THR A 21 6.691 -12.840 -0.062 1.00 0.00 O ATOM 330 CB THR A 21 4.158 -10.444 0.915 1.00 0.00 C ATOM 331 OG1 THR A 21 3.402 -11.556 1.359 1.00 0.00 O ATOM 332 CG2 THR A 21 3.493 -9.904 -0.332 1.00 0.00 C ATOM 0 H THR A 21 5.841 -8.868 0.014 1.00 0.00 H new ATOM 0 HA THR A 21 6.083 -11.021 1.669 1.00 0.00 H new ATOM 0 HB THR A 21 4.178 -9.655 1.667 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.769 -11.267 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.458 -9.645 -0.109 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.024 -9.015 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.517 -10.662 -1.115 1.00 0.00 H new ATOM 340 N VAL A 22 4.660 -12.374 -0.905 1.00 0.00 N ATOM 341 CA VAL A 22 4.626 -13.565 -1.735 1.00 0.00 C ATOM 342 C VAL A 22 3.380 -13.606 -2.610 1.00 0.00 C ATOM 343 O VAL A 22 3.467 -13.550 -3.837 1.00 0.00 O ATOM 344 CB VAL A 22 4.693 -14.832 -0.863 1.00 0.00 C ATOM 345 CG1 VAL A 22 3.429 -15.670 -0.993 1.00 0.00 C ATOM 346 CG2 VAL A 22 5.921 -15.649 -1.221 1.00 0.00 C ATOM 0 H VAL A 22 3.832 -11.782 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 22 5.497 -13.531 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 22 4.769 -14.520 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.513 -16.556 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.568 -15.081 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.299 -15.974 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.958 -16.543 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.871 -15.940 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.817 -15.052 -1.052 1.00 0.00 H new ATOM 356 N ASN A 23 2.226 -13.720 -1.972 1.00 0.00 N ATOM 357 CA ASN A 23 0.963 -13.786 -2.689 1.00 0.00 C ATOM 358 C ASN A 23 -0.058 -12.822 -2.094 1.00 0.00 C ATOM 359 O ASN A 23 -1.266 -13.025 -2.220 1.00 0.00 O ATOM 360 CB ASN A 23 0.425 -15.215 -2.643 1.00 0.00 C ATOM 361 CG ASN A 23 0.008 -15.724 -4.008 1.00 0.00 C ATOM 362 OD1 ASN A 23 -1.090 -15.435 -4.483 1.00 0.00 O ATOM 363 ND2 ASN A 23 0.888 -16.487 -4.645 1.00 0.00 N ATOM 0 H ASN A 23 2.138 -13.769 -0.957 1.00 0.00 H new ATOM 0 HA ASN A 23 1.136 -13.494 -3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.189 -15.874 -2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.429 -15.256 -1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.666 -16.860 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.786 -16.700 -4.212 1.00 0.00 H new ATOM 370 N CYS A 24 0.436 -11.772 -1.448 1.00 0.00 N ATOM 371 CA CYS A 24 -0.435 -10.776 -0.834 1.00 0.00 C ATOM 372 C CYS A 24 -0.637 -9.583 -1.763 1.00 0.00 C ATOM 373 O CYS A 24 -0.096 -8.503 -1.529 1.00 0.00 O ATOM 374 CB CYS A 24 0.155 -10.305 0.497 1.00 0.00 C ATOM 375 SG CYS A 24 -1.094 -9.861 1.748 1.00 0.00 S ATOM 0 H CYS A 24 1.433 -11.588 -1.336 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.404 -11.240 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.792 -11.093 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.794 -9.441 0.314 1.00 0.00 H new ATOM 380 N ARG A 25 -1.420 -9.787 -2.818 1.00 0.00 N ATOM 381 CA ARG A 25 -1.695 -8.726 -3.781 1.00 0.00 C ATOM 382 C ARG A 25 -1.421 -7.357 -3.169 1.00 0.00 C ATOM 383 O ARG A 25 -1.809 -7.089 -2.033 1.00 0.00 O ATOM 384 CB ARG A 25 -3.146 -8.803 -4.258 1.00 0.00 C ATOM 385 CG ARG A 25 -3.894 -10.020 -3.739 1.00 0.00 C ATOM 386 CD ARG A 25 -3.288 -11.311 -4.265 1.00 0.00 C ATOM 387 NE ARG A 25 -4.121 -12.472 -3.958 1.00 0.00 N ATOM 388 CZ ARG A 25 -5.020 -12.974 -4.798 1.00 0.00 C ATOM 389 NH1 ARG A 25 -5.202 -12.419 -5.989 1.00 0.00 N ATOM 390 NH2 ARG A 25 -5.738 -14.033 -4.448 1.00 0.00 N ATOM 0 H ARG A 25 -1.875 -10.676 -3.028 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.033 -8.863 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.672 -7.902 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.161 -8.815 -5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.873 -10.024 -2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.941 -9.960 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.155 -11.236 -5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.298 -11.450 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.006 -12.921 -3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.651 -11.605 -6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.893 -12.806 -6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.600 -14.463 -3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.428 -14.417 -5.094 1.00 0.00 H new ATOM 404 N GLU A 26 -0.750 -6.495 -3.926 1.00 0.00 N ATOM 405 CA GLU A 26 -0.425 -5.154 -3.455 1.00 0.00 C ATOM 406 C GLU A 26 -1.391 -4.123 -4.031 1.00 0.00 C ATOM 407 O GLU A 26 -1.941 -4.312 -5.117 1.00 0.00 O ATOM 408 CB GLU A 26 1.013 -4.793 -3.830 1.00 0.00 C ATOM 409 CG GLU A 26 1.183 -3.348 -4.272 1.00 0.00 C ATOM 410 CD GLU A 26 2.615 -3.019 -4.647 1.00 0.00 C ATOM 411 OE1 GLU A 26 3.251 -3.840 -5.341 1.00 0.00 O ATOM 412 OE2 GLU A 26 3.100 -1.940 -4.247 1.00 0.00 O ATOM 0 H GLU A 26 -0.421 -6.702 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.522 -5.145 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.661 -4.981 -2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.346 -5.451 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.534 -3.154 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.860 -2.686 -3.469 1.00 0.00 H new ATOM 419 N ILE A 27 -1.599 -3.036 -3.295 1.00 0.00 N ATOM 420 CA ILE A 27 -2.501 -1.979 -3.727 1.00 0.00 C ATOM 421 C ILE A 27 -1.741 -0.698 -4.056 1.00 0.00 C ATOM 422 O ILE A 27 -1.565 0.167 -3.199 1.00 0.00 O ATOM 423 CB ILE A 27 -3.547 -1.666 -2.642 1.00 0.00 C ATOM 424 CG1 ILE A 27 -4.640 -2.736 -2.623 1.00 0.00 C ATOM 425 CG2 ILE A 27 -4.148 -0.292 -2.872 1.00 0.00 C ATOM 426 CD1 ILE A 27 -5.445 -2.751 -1.341 1.00 0.00 C ATOM 0 H ILE A 27 -1.153 -2.866 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.002 -2.341 -4.625 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.051 -1.669 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.313 -2.572 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.182 -3.715 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.886 -0.083 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.360 0.461 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.630 -0.265 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.202 -3.533 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.782 -2.946 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.931 -1.785 -1.205 1.00 0.00 H new ATOM 438 N PHE A 28 -1.297 -0.576 -5.303 1.00 0.00 N ATOM 439 CA PHE A 28 -0.565 0.608 -5.740 1.00 0.00 C ATOM 440 C PHE A 28 -1.252 1.874 -5.243 1.00 0.00 C ATOM 441 O PHE A 28 -0.717 2.608 -4.413 1.00 0.00 O ATOM 442 CB PHE A 28 -0.480 0.646 -7.267 1.00 0.00 C ATOM 443 CG PHE A 28 -0.446 -0.713 -7.906 1.00 0.00 C ATOM 444 CD1 PHE A 28 -0.008 -1.818 -7.194 1.00 0.00 C ATOM 445 CD2 PHE A 28 -0.854 -0.884 -9.219 1.00 0.00 C ATOM 446 CE1 PHE A 28 0.021 -3.069 -7.781 1.00 0.00 C ATOM 447 CE2 PHE A 28 -0.826 -2.131 -9.811 1.00 0.00 C ATOM 448 CZ PHE A 28 -0.388 -3.226 -9.091 1.00 0.00 C ATOM 0 H PHE A 28 -1.431 -1.281 -6.028 1.00 0.00 H new ATOM 0 HA PHE A 28 0.441 0.558 -5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.335 1.199 -7.656 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.414 1.197 -7.558 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.314 -1.701 -6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.198 -0.032 -9.786 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.363 -3.923 -7.216 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.146 -2.250 -10.836 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.365 -4.203 -9.552 1.00 0.00 H new ATOM 458 N LEU A 29 -2.445 2.113 -5.769 1.00 0.00 N ATOM 459 CA LEU A 29 -3.241 3.278 -5.409 1.00 0.00 C ATOM 460 C LEU A 29 -3.066 3.653 -3.941 1.00 0.00 C ATOM 461 O LEU A 29 -2.979 4.832 -3.596 1.00 0.00 O ATOM 462 CB LEU A 29 -4.710 2.993 -5.699 1.00 0.00 C ATOM 463 CG LEU A 29 -5.061 2.896 -7.184 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.421 1.466 -7.555 1.00 0.00 C ATOM 465 CD2 LEU A 29 -6.200 3.845 -7.527 1.00 0.00 C ATOM 0 H LEU A 29 -2.888 1.505 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.897 4.122 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.988 2.058 -5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.315 3.779 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.186 3.189 -7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.668 1.416 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.574 0.812 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.280 1.143 -6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.436 3.762 -8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.080 3.585 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.901 4.869 -7.301 1.00 0.00 H new ATOM 477 N ALA A 30 -3.027 2.645 -3.082 1.00 0.00 N ATOM 478 CA ALA A 30 -2.876 2.865 -1.648 1.00 0.00 C ATOM 479 C ALA A 30 -1.424 2.681 -1.211 1.00 0.00 C ATOM 480 O ALA A 30 -0.658 1.970 -1.860 1.00 0.00 O ATOM 481 CB ALA A 30 -3.785 1.921 -0.877 1.00 0.00 C ATOM 0 H ALA A 30 -3.098 1.664 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.163 3.893 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.665 2.093 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.822 2.103 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.521 0.890 -1.111 1.00 0.00 H new ATOM 487 N ASP A 31 -1.052 3.334 -0.112 1.00 0.00 N ATOM 488 CA ASP A 31 0.312 3.246 0.403 1.00 0.00 C ATOM 489 C ASP A 31 0.328 2.730 1.836 1.00 0.00 C ATOM 490 O ASP A 31 -0.720 2.548 2.453 1.00 0.00 O ATOM 491 CB ASP A 31 0.991 4.614 0.336 1.00 0.00 C ATOM 492 CG ASP A 31 1.176 5.098 -1.089 1.00 0.00 C ATOM 493 OD1 ASP A 31 1.597 4.288 -1.942 1.00 0.00 O ATOM 494 OD2 ASP A 31 0.900 6.287 -1.353 1.00 0.00 O ATOM 0 H ASP A 31 -1.674 3.928 0.437 1.00 0.00 H new ATOM 0 HA ASP A 31 0.861 2.540 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.395 5.340 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.962 4.559 0.827 1.00 0.00 H new ATOM 499 N CYS A 32 1.526 2.500 2.362 1.00 0.00 N ATOM 500 CA CYS A 32 1.674 2.013 3.723 1.00 0.00 C ATOM 501 C CYS A 32 2.012 3.158 4.661 1.00 0.00 C ATOM 502 O CYS A 32 1.595 4.297 4.444 1.00 0.00 O ATOM 503 CB CYS A 32 2.761 0.939 3.797 1.00 0.00 C ATOM 504 SG CYS A 32 2.118 -0.746 4.033 1.00 0.00 S ATOM 0 H CYS A 32 2.405 2.643 1.866 1.00 0.00 H new ATOM 0 HA CYS A 32 0.726 1.571 4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.349 0.968 2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.438 1.177 4.617 1.00 0.00 H new ATOM 509 N TYR A 33 2.759 2.852 5.708 1.00 0.00 N ATOM 510 CA TYR A 33 3.142 3.847 6.683 1.00 0.00 C ATOM 511 C TYR A 33 4.530 3.555 7.230 1.00 0.00 C ATOM 512 O TYR A 33 5.111 4.359 7.960 1.00 0.00 O ATOM 513 CB TYR A 33 2.130 3.840 7.812 1.00 0.00 C ATOM 514 CG TYR A 33 1.046 4.881 7.658 1.00 0.00 C ATOM 515 CD1 TYR A 33 1.341 6.155 7.192 1.00 0.00 C ATOM 516 CD2 TYR A 33 -0.272 4.584 7.972 1.00 0.00 C ATOM 517 CE1 TYR A 33 0.350 7.107 7.046 1.00 0.00 C ATOM 518 CE2 TYR A 33 -1.270 5.529 7.828 1.00 0.00 C ATOM 519 CZ TYR A 33 -0.954 6.789 7.364 1.00 0.00 C ATOM 520 OH TYR A 33 -1.943 7.734 7.219 1.00 0.00 O ATOM 0 H TYR A 33 3.112 1.915 5.901 1.00 0.00 H new ATOM 0 HA TYR A 33 3.164 4.827 6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.670 2.854 7.870 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.650 4.005 8.756 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.361 6.406 6.940 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.522 3.598 8.335 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.595 8.095 6.685 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.291 5.282 8.077 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.804 7.349 7.485 1.00 0.00 H new ATOM 530 N ASN A 34 5.045 2.390 6.874 1.00 0.00 N ATOM 531 CA ASN A 34 6.356 1.954 7.321 1.00 0.00 C ATOM 532 C ASN A 34 7.445 2.413 6.358 1.00 0.00 C ATOM 533 O ASN A 34 8.624 2.453 6.710 1.00 0.00 O ATOM 534 CB ASN A 34 6.370 0.434 7.426 1.00 0.00 C ATOM 535 CG ASN A 34 5.892 -0.060 8.773 1.00 0.00 C ATOM 536 OD1 ASN A 34 6.603 0.040 9.774 1.00 0.00 O ATOM 537 ND2 ASN A 34 4.682 -0.600 8.803 1.00 0.00 N ATOM 0 H ASN A 34 4.567 1.722 6.269 1.00 0.00 H new ATOM 0 HA ASN A 34 6.557 2.398 8.296 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.738 0.014 6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.382 0.070 7.248 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.303 -0.954 9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.129 -0.661 7.948 1.00 0.00 H new ATOM 544 N ASP A 35 7.040 2.751 5.143 1.00 0.00 N ATOM 545 CA ASP A 35 7.978 3.200 4.122 1.00 0.00 C ATOM 546 C ASP A 35 8.562 2.008 3.374 1.00 0.00 C ATOM 547 O ASP A 35 8.965 2.123 2.216 1.00 0.00 O ATOM 548 CB ASP A 35 9.101 4.024 4.756 1.00 0.00 C ATOM 549 CG ASP A 35 9.353 5.324 4.017 1.00 0.00 C ATOM 550 OD1 ASP A 35 9.263 5.328 2.771 1.00 0.00 O ATOM 551 OD2 ASP A 35 9.640 6.340 4.685 1.00 0.00 O ATOM 0 H ASP A 35 6.067 2.723 4.839 1.00 0.00 H new ATOM 0 HA ASP A 35 7.439 3.828 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.846 4.242 5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.017 3.434 4.770 1.00 0.00 H new ATOM 556 N GLY A 36 8.599 0.862 4.045 1.00 0.00 N ATOM 557 CA GLY A 36 9.129 -0.341 3.433 1.00 0.00 C ATOM 558 C GLY A 36 8.057 -1.385 3.194 1.00 0.00 C ATOM 559 O GLY A 36 8.320 -2.432 2.604 1.00 0.00 O ATOM 0 H GLY A 36 8.271 0.745 5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.602 -0.085 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.905 -0.760 4.073 1.00 0.00 H new ATOM 563 N GLN A 37 6.842 -1.098 3.654 1.00 0.00 N ATOM 564 CA GLN A 37 5.725 -2.018 3.487 1.00 0.00 C ATOM 565 C GLN A 37 4.693 -1.448 2.521 1.00 0.00 C ATOM 566 O GLN A 37 4.482 -0.237 2.469 1.00 0.00 O ATOM 567 CB GLN A 37 5.069 -2.307 4.838 1.00 0.00 C ATOM 568 CG GLN A 37 6.018 -2.916 5.857 1.00 0.00 C ATOM 569 CD GLN A 37 5.321 -3.870 6.806 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.072 -3.564 7.141 1.00 0.00 O flip ATOM 571 NE2 GLN A 37 5.895 -4.870 7.235 1.00 0.00 N flip ATOM 0 H GLN A 37 6.608 -0.235 4.145 1.00 0.00 H new ATOM 0 HA GLN A 37 6.112 -2.949 3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.663 -1.379 5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.228 -2.984 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.814 -3.446 5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.489 -2.118 6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.855 -5.068 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.411 -5.501 7.873 1.00 0.00 H new ATOM 580 N LYS A 38 4.055 -2.327 1.757 1.00 0.00 N ATOM 581 CA LYS A 38 3.045 -1.908 0.793 1.00 0.00 C ATOM 582 C LYS A 38 1.664 -2.407 1.205 1.00 0.00 C ATOM 583 O LYS A 38 1.513 -3.070 2.231 1.00 0.00 O ATOM 584 CB LYS A 38 3.393 -2.427 -0.602 1.00 0.00 C ATOM 585 CG LYS A 38 4.300 -3.645 -0.591 1.00 0.00 C ATOM 586 CD LYS A 38 3.588 -4.871 -1.136 1.00 0.00 C ATOM 587 CE LYS A 38 2.652 -5.476 -0.103 1.00 0.00 C ATOM 588 NZ LYS A 38 2.633 -6.963 -0.171 1.00 0.00 N ATOM 0 H LYS A 38 4.219 -3.333 1.786 1.00 0.00 H new ATOM 0 HA LYS A 38 3.028 -0.818 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.471 -2.676 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.877 -1.630 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.189 -3.444 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.637 -3.841 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.022 -4.598 -2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.324 -5.615 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.961 -5.163 0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.644 -5.093 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.804 -7.323 0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.581 -7.264 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.500 -7.341 0.261 1.00 0.00 H new ATOM 602 N CYS A 39 0.660 -2.082 0.398 1.00 0.00 N ATOM 603 CA CYS A 39 -0.708 -2.496 0.681 1.00 0.00 C ATOM 604 C CYS A 39 -1.013 -3.850 0.053 1.00 0.00 C ATOM 605 O CYS A 39 -0.418 -4.230 -0.955 1.00 0.00 O ATOM 606 CB CYS A 39 -1.698 -1.454 0.166 1.00 0.00 C ATOM 607 SG CYS A 39 -3.350 -1.575 0.923 1.00 0.00 S ATOM 0 H CYS A 39 0.768 -1.534 -0.456 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.811 -2.585 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.294 -0.459 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.795 -1.561 -0.914 1.00 0.00 H new ATOM 612 N CYS A 40 -1.950 -4.571 0.657 1.00 0.00 N ATOM 613 CA CYS A 40 -2.348 -5.882 0.165 1.00 0.00 C ATOM 614 C CYS A 40 -3.856 -6.067 0.288 1.00 0.00 C ATOM 615 O CYS A 40 -4.491 -5.489 1.169 1.00 0.00 O ATOM 616 CB CYS A 40 -1.623 -6.985 0.936 1.00 0.00 C ATOM 617 SG CYS A 40 -2.367 -8.637 0.747 1.00 0.00 S ATOM 0 H CYS A 40 -2.450 -4.267 1.492 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.072 -5.948 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.586 -7.025 0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.608 -6.724 1.994 1.00 0.00 H new ATOM 622 N ARG A 41 -4.425 -6.878 -0.598 1.00 0.00 N ATOM 623 CA ARG A 41 -5.860 -7.135 -0.577 1.00 0.00 C ATOM 624 C ARG A 41 -6.226 -8.036 0.595 1.00 0.00 C ATOM 625 O ARG A 41 -6.895 -9.056 0.425 1.00 0.00 O ATOM 626 CB ARG A 41 -6.308 -7.772 -1.892 1.00 0.00 C ATOM 627 CG ARG A 41 -6.971 -6.792 -2.848 1.00 0.00 C ATOM 628 CD ARG A 41 -6.477 -6.984 -4.273 1.00 0.00 C ATOM 629 NE ARG A 41 -6.157 -5.713 -4.916 1.00 0.00 N ATOM 630 CZ ARG A 41 -7.073 -4.824 -5.286 1.00 0.00 C ATOM 631 NH1 ARG A 41 -8.359 -5.068 -5.076 1.00 0.00 N ATOM 632 NH2 ARG A 41 -6.704 -3.690 -5.866 1.00 0.00 N ATOM 0 H ARG A 41 -3.917 -7.366 -1.336 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.376 -6.182 -0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.443 -8.218 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.004 -8.582 -1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.052 -6.925 -2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.766 -5.771 -2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.592 -7.621 -4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.239 -7.503 -4.854 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.176 -5.495 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.647 -5.939 -4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.061 -4.385 -5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.715 -3.499 -6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.409 -3.009 -6.149 1.00 0.00 H new ATOM 646 N LYS A 42 -5.779 -7.651 1.784 1.00 0.00 N ATOM 647 CA LYS A 42 -6.052 -8.416 2.991 1.00 0.00 C ATOM 648 C LYS A 42 -6.188 -9.902 2.675 1.00 0.00 C ATOM 649 O LYS A 42 -5.171 -10.621 2.763 1.00 0.00 O ATOM 650 CB LYS A 42 -7.325 -7.906 3.668 1.00 0.00 C ATOM 651 CG LYS A 42 -7.060 -7.097 4.928 1.00 0.00 C ATOM 652 CD LYS A 42 -6.683 -5.662 4.599 1.00 0.00 C ATOM 653 CE LYS A 42 -7.758 -4.687 5.054 1.00 0.00 C ATOM 654 NZ LYS A 42 -7.618 -4.337 6.494 1.00 0.00 N ATOM 655 OXT LYS A 42 -7.313 -10.334 2.344 1.00 0.00 O ATOM 0 H LYS A 42 -5.223 -6.809 1.937 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.211 -8.284 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.881 -7.291 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.959 -8.756 3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.948 -7.105 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.257 -7.563 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.737 -5.413 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.530 -5.562 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.702 -3.779 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.741 -5.124 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.493 -3.885 6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.442 -5.201 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.821 -3.680 6.616 1.00 0.00 H new