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 Set 1.1: A 21 THR OG1 : rot -47:sc= -0.431! USER MOD Set 1.2: A 38 LYS NZ :NH3+ -116:sc= 0.848! (180deg=-0.448) USER MOD Set 2.1: A 34 ASN :FLIP amide:sc= -0.333 F(o=-3.4,f=-2.6) USER MOD Set 2.2: A 37 GLN : amide:sc= -2.28 K(o=-2.6,f=-6.4!) USER MOD Single : A 11 SER OG : rot 169:sc= 0.00239 USER MOD Single : A 13 ASN :FLIP amide:sc= -1.59! C(o=-2.4!,f=-1.6!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 78:sc= 0.264 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= -0.624 (180deg=-0.797) USER MOD ----------------------------------------------------------------- ATOM 136 N ASP A 8 -3.541 6.434 1.679 1.00 0.00 N ATOM 137 CA ASP A 8 -3.061 5.489 2.666 1.00 0.00 C ATOM 138 C ASP A 8 -3.634 4.099 2.413 1.00 0.00 C ATOM 139 O ASP A 8 -4.692 3.955 1.800 1.00 0.00 O ATOM 140 CB ASP A 8 -3.443 5.974 4.060 1.00 0.00 C ATOM 141 CG ASP A 8 -4.149 7.316 4.029 1.00 0.00 C ATOM 142 OD1 ASP A 8 -5.366 7.341 3.752 1.00 0.00 O ATOM 143 OD2 ASP A 8 -3.483 8.342 4.283 1.00 0.00 O ATOM 0 HA ASP A 8 -1.976 5.422 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.090 5.236 4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.546 6.052 4.674 1.00 0.00 H new ATOM 148 N CYS A 9 -2.927 3.079 2.882 1.00 0.00 N ATOM 149 CA CYS A 9 -3.362 1.700 2.699 1.00 0.00 C ATOM 150 C CYS A 9 -4.473 1.333 3.677 1.00 0.00 C ATOM 151 O CYS A 9 -5.515 0.814 3.281 1.00 0.00 O ATOM 152 CB CYS A 9 -2.184 0.744 2.881 1.00 0.00 C ATOM 153 SG CYS A 9 -2.657 -1.014 2.891 1.00 0.00 S ATOM 0 H CYS A 9 -2.050 3.180 3.392 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.752 1.609 1.685 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.465 0.912 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.679 0.980 3.818 1.00 0.00 H new ATOM 158 N GLU A 10 -4.237 1.591 4.956 1.00 0.00 N ATOM 159 CA GLU A 10 -5.212 1.275 5.992 1.00 0.00 C ATOM 160 C GLU A 10 -6.446 2.168 5.889 1.00 0.00 C ATOM 161 O GLU A 10 -7.541 1.775 6.294 1.00 0.00 O ATOM 162 CB GLU A 10 -4.572 1.419 7.372 1.00 0.00 C ATOM 163 CG GLU A 10 -4.646 0.152 8.210 1.00 0.00 C ATOM 164 CD GLU A 10 -3.485 -0.787 7.948 1.00 0.00 C ATOM 165 OE1 GLU A 10 -2.324 -0.350 8.091 1.00 0.00 O ATOM 166 OE2 GLU A 10 -3.737 -1.960 7.599 1.00 0.00 O ATOM 0 H GLU A 10 -3.378 2.019 5.302 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.534 0.244 5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.527 1.705 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.064 2.230 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.661 0.420 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.582 -0.365 7.999 1.00 0.00 H new ATOM 173 N SER A 11 -6.267 3.368 5.345 1.00 0.00 N ATOM 174 CA SER A 11 -7.371 4.308 5.193 1.00 0.00 C ATOM 175 C SER A 11 -8.309 3.862 4.079 1.00 0.00 C ATOM 176 O SER A 11 -9.385 4.430 3.893 1.00 0.00 O ATOM 177 CB SER A 11 -6.837 5.710 4.897 1.00 0.00 C ATOM 178 OG SER A 11 -6.906 6.536 6.047 1.00 0.00 O ATOM 0 H SER A 11 -5.370 3.711 5.003 1.00 0.00 H new ATOM 0 HA SER A 11 -7.930 4.332 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.804 5.644 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.413 6.159 4.088 1.00 0.00 H new ATOM 0 HG SER A 11 -6.399 7.360 5.889 1.00 0.00 H new ATOM 184 N ILE A 12 -7.888 2.845 3.340 1.00 0.00 N ATOM 185 CA ILE A 12 -8.680 2.319 2.241 1.00 0.00 C ATOM 186 C ILE A 12 -9.189 0.917 2.552 1.00 0.00 C ATOM 187 O ILE A 12 -9.811 0.268 1.711 1.00 0.00 O ATOM 188 CB ILE A 12 -7.858 2.274 0.947 1.00 0.00 C ATOM 189 CG1 ILE A 12 -6.407 1.893 1.248 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.919 3.614 0.234 1.00 0.00 C ATOM 191 CD1 ILE A 12 -6.056 0.483 0.828 1.00 0.00 C ATOM 0 H ILE A 12 -6.998 2.367 3.484 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.530 2.988 2.108 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.285 1.514 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.743 2.592 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.225 2.001 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.331 3.566 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.955 3.849 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.515 4.391 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.013 0.280 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.696 -0.224 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.206 0.375 -0.246 1.00 0.00 H new ATOM 203 N ASN A 13 -8.915 0.460 3.765 1.00 0.00 N ATOM 204 CA ASN A 13 -9.335 -0.866 4.203 1.00 0.00 C ATOM 205 C ASN A 13 -8.381 -1.937 3.687 1.00 0.00 C ATOM 206 O ASN A 13 -8.787 -3.066 3.409 1.00 0.00 O ATOM 207 CB ASN A 13 -10.757 -1.159 3.719 1.00 0.00 C ATOM 208 CG ASN A 13 -11.235 -2.537 4.135 1.00 0.00 C ATOM 209 OD1 ASN A 13 -11.160 -3.492 3.215 1.00 0.00 O flip ATOM 210 ND2 ASN A 13 -11.665 -2.740 5.271 1.00 0.00 N flip ATOM 0 H ASN A 13 -8.401 0.990 4.468 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.318 -0.883 5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.436 -0.406 4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -10.793 -1.077 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.704 -1.976 5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.982 -3.672 5.537 1.00 0.00 H new ATOM 217 N GLY A 14 -7.108 -1.576 3.570 1.00 0.00 N ATOM 218 CA GLY A 14 -6.109 -2.514 3.095 1.00 0.00 C ATOM 219 C GLY A 14 -5.140 -2.916 4.190 1.00 0.00 C ATOM 220 O GLY A 14 -5.166 -2.354 5.285 1.00 0.00 O ATOM 0 H GLY A 14 -6.750 -0.648 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.604 -3.403 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.557 -2.067 2.268 1.00 0.00 H new ATOM 224 N VAL A 15 -4.283 -3.889 3.898 1.00 0.00 N ATOM 225 CA VAL A 15 -3.308 -4.357 4.874 1.00 0.00 C ATOM 226 C VAL A 15 -1.902 -3.896 4.507 1.00 0.00 C ATOM 227 O VAL A 15 -1.595 -3.685 3.336 1.00 0.00 O ATOM 228 CB VAL A 15 -3.331 -5.892 4.996 1.00 0.00 C ATOM 229 CG1 VAL A 15 -2.818 -6.540 3.721 1.00 0.00 C ATOM 230 CG2 VAL A 15 -2.519 -6.347 6.197 1.00 0.00 C ATOM 0 H VAL A 15 -4.244 -4.366 2.997 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.583 -3.925 5.836 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.364 -6.207 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.843 -7.624 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.449 -6.244 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.794 -6.217 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.548 -7.434 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.486 -6.018 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.939 -5.915 7.105 1.00 0.00 H new ATOM 240 N CYS A 16 -1.056 -3.731 5.514 1.00 0.00 N ATOM 241 CA CYS A 16 0.313 -3.286 5.288 1.00 0.00 C ATOM 242 C CYS A 16 1.307 -4.416 5.530 1.00 0.00 C ATOM 243 O CYS A 16 1.694 -4.687 6.667 1.00 0.00 O ATOM 244 CB CYS A 16 0.637 -2.094 6.191 1.00 0.00 C ATOM 245 SG CYS A 16 0.700 -0.500 5.315 1.00 0.00 S ATOM 0 H CYS A 16 -1.292 -3.898 6.492 1.00 0.00 H new ATOM 0 HA CYS A 16 0.400 -2.978 4.246 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.113 -2.034 6.980 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.597 -2.269 6.676 1.00 0.00 H new ATOM 250 N ARG A 17 1.716 -5.073 4.448 1.00 0.00 N ATOM 251 CA ARG A 17 2.666 -6.176 4.535 1.00 0.00 C ATOM 252 C ARG A 17 4.009 -5.785 3.925 1.00 0.00 C ATOM 253 O ARG A 17 4.300 -4.602 3.749 1.00 0.00 O ATOM 254 CB ARG A 17 2.110 -7.411 3.823 1.00 0.00 C ATOM 255 CG ARG A 17 2.613 -8.724 4.399 1.00 0.00 C ATOM 256 CD ARG A 17 1.569 -9.822 4.275 1.00 0.00 C ATOM 257 NE ARG A 17 0.803 -9.990 5.507 1.00 0.00 N ATOM 258 CZ ARG A 17 0.307 -11.154 5.913 1.00 0.00 C ATOM 259 NH1 ARG A 17 0.496 -12.248 5.187 1.00 0.00 N ATOM 260 NH2 ARG A 17 -0.380 -11.226 7.046 1.00 0.00 N ATOM 0 H ARG A 17 1.404 -4.860 3.501 1.00 0.00 H new ATOM 0 HA ARG A 17 2.819 -6.410 5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.022 -7.393 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.376 -7.362 2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.523 -9.025 3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.875 -8.586 5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.890 -9.586 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.060 -10.762 4.022 1.00 0.00 H new ATOM 0 HE ARG A 17 0.640 -9.168 6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.023 -12.197 4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.114 -13.140 5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.528 -10.387 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.760 -12.120 7.356 1.00 0.00 H new ATOM 274 N HIS A 18 4.822 -6.786 3.602 1.00 0.00 N ATOM 275 CA HIS A 18 6.130 -6.545 3.011 1.00 0.00 C ATOM 276 C HIS A 18 6.023 -6.414 1.497 1.00 0.00 C ATOM 277 O HIS A 18 5.239 -7.114 0.856 1.00 0.00 O ATOM 278 CB HIS A 18 7.094 -7.676 3.372 1.00 0.00 C ATOM 279 CG HIS A 18 8.307 -7.213 4.117 1.00 0.00 C ATOM 280 ND1 HIS A 18 9.589 -7.356 3.631 1.00 0.00 N ATOM 281 CD2 HIS A 18 8.428 -6.603 5.320 1.00 0.00 C ATOM 282 CE1 HIS A 18 10.446 -6.854 4.503 1.00 0.00 C ATOM 283 NE2 HIS A 18 9.767 -6.391 5.536 1.00 0.00 N ATOM 0 H HIS A 18 4.596 -7.771 3.740 1.00 0.00 H new ATOM 0 HA HIS A 18 6.517 -5.609 3.413 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.566 -8.414 3.976 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.409 -8.180 2.458 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.621 -6.333 5.986 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.520 -6.827 4.390 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.172 -5.948 6.361 1.00 0.00 H new ATOM 292 N LYS A 19 6.811 -5.508 0.936 1.00 0.00 N ATOM 293 CA LYS A 19 6.807 -5.274 -0.504 1.00 0.00 C ATOM 294 C LYS A 19 7.405 -6.457 -1.257 1.00 0.00 C ATOM 295 O LYS A 19 7.560 -6.414 -2.477 1.00 0.00 O ATOM 296 CB LYS A 19 7.585 -3.999 -0.835 1.00 0.00 C ATOM 297 CG LYS A 19 8.662 -3.664 0.183 1.00 0.00 C ATOM 298 CD LYS A 19 9.568 -2.547 -0.311 1.00 0.00 C ATOM 299 CE LYS A 19 10.719 -3.088 -1.143 1.00 0.00 C ATOM 300 NZ LYS A 19 12.036 -2.849 -0.491 1.00 0.00 N ATOM 0 H LYS A 19 7.463 -4.921 1.456 1.00 0.00 H new ATOM 0 HA LYS A 19 5.771 -5.156 -0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.046 -4.109 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.887 -3.164 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.196 -3.367 1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.258 -4.553 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.987 -1.843 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.963 -1.994 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.581 -4.158 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.710 -2.617 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.795 -3.233 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.179 -1.827 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.055 -3.320 0.436 1.00 0.00 H new ATOM 314 N ASP A 20 7.735 -7.514 -0.524 1.00 0.00 N ATOM 315 CA ASP A 20 8.311 -8.710 -1.128 1.00 0.00 C ATOM 316 C ASP A 20 7.637 -9.964 -0.585 1.00 0.00 C ATOM 317 O ASP A 20 8.209 -11.053 -0.620 1.00 0.00 O ATOM 318 CB ASP A 20 9.815 -8.770 -0.866 1.00 0.00 C ATOM 319 CG ASP A 20 10.607 -9.093 -2.119 1.00 0.00 C ATOM 320 OD1 ASP A 20 10.290 -8.523 -3.184 1.00 0.00 O ATOM 321 OD2 ASP A 20 11.543 -9.915 -2.035 1.00 0.00 O ATOM 0 H ASP A 20 7.614 -7.568 0.487 1.00 0.00 H new ATOM 0 HA ASP A 20 8.143 -8.662 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.150 -7.814 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.019 -9.524 -0.106 1.00 0.00 H new ATOM 326 N THR A 21 6.416 -9.801 -0.086 1.00 0.00 N ATOM 327 CA THR A 21 5.662 -10.918 0.463 1.00 0.00 C ATOM 328 C THR A 21 5.794 -12.142 -0.431 1.00 0.00 C ATOM 329 O THR A 21 6.829 -12.808 -0.443 1.00 0.00 O ATOM 330 CB THR A 21 4.187 -10.541 0.613 1.00 0.00 C ATOM 331 OG1 THR A 21 4.032 -9.135 0.672 1.00 0.00 O ATOM 332 CG2 THR A 21 3.540 -11.128 1.848 1.00 0.00 C ATOM 0 H THR A 21 5.929 -8.905 -0.051 1.00 0.00 H new ATOM 0 HA THR A 21 6.069 -11.156 1.446 1.00 0.00 H new ATOM 0 HB THR A 21 3.693 -10.956 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.678 -8.761 1.307 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.495 -10.821 1.892 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.597 -12.216 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.061 -10.771 2.736 1.00 0.00 H new ATOM 340 N VAL A 22 4.738 -12.433 -1.179 1.00 0.00 N ATOM 341 CA VAL A 22 4.736 -13.577 -2.074 1.00 0.00 C ATOM 342 C VAL A 22 3.443 -13.654 -2.871 1.00 0.00 C ATOM 343 O VAL A 22 3.450 -13.606 -4.101 1.00 0.00 O ATOM 344 CB VAL A 22 4.930 -14.883 -1.284 1.00 0.00 C ATOM 345 CG1 VAL A 22 3.713 -15.791 -1.402 1.00 0.00 C ATOM 346 CG2 VAL A 22 6.182 -15.598 -1.753 1.00 0.00 C ATOM 0 H VAL A 22 3.874 -11.892 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 22 5.566 -13.449 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 22 5.046 -14.627 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.884 -16.704 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.836 -15.277 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.547 -16.043 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.308 -16.521 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.091 -15.833 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.048 -14.955 -1.597 1.00 0.00 H new ATOM 356 N ASN A 23 2.338 -13.789 -2.157 1.00 0.00 N ATOM 357 CA ASN A 23 1.032 -13.890 -2.783 1.00 0.00 C ATOM 358 C ASN A 23 0.023 -12.983 -2.088 1.00 0.00 C ATOM 359 O ASN A 23 -1.144 -13.340 -1.930 1.00 0.00 O ATOM 360 CB ASN A 23 0.559 -15.342 -2.738 1.00 0.00 C ATOM 361 CG ASN A 23 0.055 -15.829 -4.080 1.00 0.00 C ATOM 362 OD1 ASN A 23 -1.143 -15.786 -4.361 1.00 0.00 O ATOM 363 ND2 ASN A 23 0.973 -16.299 -4.917 1.00 0.00 N ATOM 0 H ASN A 23 2.321 -13.831 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 23 1.113 -13.566 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.381 -15.978 -2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.235 -15.439 -1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.696 -16.644 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.955 -16.315 -4.641 1.00 0.00 H new ATOM 370 N CYS A 24 0.484 -11.806 -1.674 1.00 0.00 N ATOM 371 CA CYS A 24 -0.374 -10.843 -0.993 1.00 0.00 C ATOM 372 C CYS A 24 -0.628 -9.621 -1.872 1.00 0.00 C ATOM 373 O CYS A 24 -0.122 -8.533 -1.599 1.00 0.00 O ATOM 374 CB CYS A 24 0.262 -10.411 0.329 1.00 0.00 C ATOM 375 SG CYS A 24 -0.934 -9.843 1.580 1.00 0.00 S ATOM 0 H CYS A 24 1.448 -11.497 -1.799 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.330 -11.325 -0.790 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.829 -11.248 0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.974 -9.609 0.132 1.00 0.00 H new ATOM 380 N ARG A 25 -1.414 -9.808 -2.928 1.00 0.00 N ATOM 381 CA ARG A 25 -1.734 -8.719 -3.844 1.00 0.00 C ATOM 382 C ARG A 25 -1.458 -7.367 -3.195 1.00 0.00 C ATOM 383 O ARG A 25 -1.878 -7.113 -2.067 1.00 0.00 O ATOM 384 CB ARG A 25 -3.198 -8.802 -4.279 1.00 0.00 C ATOM 385 CG ARG A 25 -4.105 -9.443 -3.242 1.00 0.00 C ATOM 386 CD ARG A 25 -4.446 -10.878 -3.612 1.00 0.00 C ATOM 387 NE ARG A 25 -5.485 -11.433 -2.748 1.00 0.00 N ATOM 388 CZ ARG A 25 -5.727 -12.735 -2.633 1.00 0.00 C ATOM 389 NH1 ARG A 25 -5.009 -13.609 -3.325 1.00 0.00 N ATOM 390 NH2 ARG A 25 -6.689 -13.162 -1.827 1.00 0.00 N ATOM 0 H ARG A 25 -1.840 -10.702 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.097 -8.817 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.561 -7.798 -4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.261 -9.371 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.617 -9.423 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.023 -8.862 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.779 -10.916 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.549 -11.493 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.056 -10.786 -2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.269 -13.283 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.196 -14.608 -3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.244 -12.491 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.875 -14.161 -1.739 1.00 0.00 H new ATOM 404 N GLU A 26 -0.746 -6.505 -3.915 1.00 0.00 N ATOM 405 CA GLU A 26 -0.412 -5.179 -3.407 1.00 0.00 C ATOM 406 C GLU A 26 -1.338 -4.116 -3.991 1.00 0.00 C ATOM 407 O GLU A 26 -1.766 -4.213 -5.141 1.00 0.00 O ATOM 408 CB GLU A 26 1.044 -4.838 -3.732 1.00 0.00 C ATOM 409 CG GLU A 26 1.231 -3.432 -4.276 1.00 0.00 C ATOM 410 CD GLU A 26 2.624 -3.202 -4.832 1.00 0.00 C ATOM 411 OE1 GLU A 26 3.580 -3.812 -4.308 1.00 0.00 O ATOM 412 OE2 GLU A 26 2.758 -2.414 -5.791 1.00 0.00 O ATOM 0 H GLU A 26 -0.390 -6.701 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.545 -5.191 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.646 -4.953 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.422 -5.554 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.496 -3.249 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.037 -2.711 -3.482 1.00 0.00 H new ATOM 419 N ILE A 27 -1.637 -3.099 -3.189 1.00 0.00 N ATOM 420 CA ILE A 27 -2.504 -2.012 -3.619 1.00 0.00 C ATOM 421 C ILE A 27 -1.687 -0.788 -4.014 1.00 0.00 C ATOM 422 O ILE A 27 -1.529 0.144 -3.227 1.00 0.00 O ATOM 423 CB ILE A 27 -3.501 -1.618 -2.513 1.00 0.00 C ATOM 424 CG1 ILE A 27 -4.725 -2.534 -2.546 1.00 0.00 C ATOM 425 CG2 ILE A 27 -3.918 -0.164 -2.668 1.00 0.00 C ATOM 426 CD1 ILE A 27 -5.641 -2.360 -1.355 1.00 0.00 C ATOM 0 H ILE A 27 -1.289 -3.007 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.060 -2.370 -4.485 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.010 -1.734 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.289 -2.341 -3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.392 -3.571 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.623 0.099 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.039 0.476 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.392 -0.023 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.488 -3.041 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.093 -2.581 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.004 -1.333 -1.322 1.00 0.00 H new ATOM 438 N PHE A 28 -1.169 -0.800 -5.235 1.00 0.00 N ATOM 439 CA PHE A 28 -0.365 0.306 -5.741 1.00 0.00 C ATOM 440 C PHE A 28 -0.979 1.646 -5.348 1.00 0.00 C ATOM 441 O PHE A 28 -0.408 2.402 -4.562 1.00 0.00 O ATOM 442 CB PHE A 28 -0.253 0.217 -7.263 1.00 0.00 C ATOM 443 CG PHE A 28 -0.631 -1.130 -7.812 1.00 0.00 C ATOM 444 CD1 PHE A 28 -1.939 -1.581 -7.730 1.00 0.00 C ATOM 445 CD2 PHE A 28 0.320 -1.943 -8.406 1.00 0.00 C ATOM 446 CE1 PHE A 28 -2.291 -2.819 -8.233 1.00 0.00 C ATOM 447 CE2 PHE A 28 -0.027 -3.183 -8.910 1.00 0.00 C ATOM 448 CZ PHE A 28 -1.334 -3.621 -8.823 1.00 0.00 C ATOM 0 H PHE A 28 -1.292 -1.567 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 28 0.629 0.236 -5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.893 0.977 -7.712 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.771 0.447 -7.559 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.691 -0.958 -7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.343 -1.605 -8.476 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.314 -3.159 -8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.723 -3.808 -9.371 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.607 -4.589 -9.216 1.00 0.00 H new ATOM 458 N LEU A 29 -2.145 1.928 -5.913 1.00 0.00 N ATOM 459 CA LEU A 29 -2.860 3.171 -5.647 1.00 0.00 C ATOM 460 C LEU A 29 -2.665 3.642 -4.209 1.00 0.00 C ATOM 461 O LEU A 29 -2.426 4.824 -3.961 1.00 0.00 O ATOM 462 CB LEU A 29 -4.346 2.973 -5.930 1.00 0.00 C ATOM 463 CG LEU A 29 -4.695 2.749 -7.402 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.656 1.580 -7.548 1.00 0.00 C ATOM 465 CD2 LEU A 29 -5.288 4.010 -8.009 1.00 0.00 C ATOM 0 H LEU A 29 -2.621 1.305 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.453 3.940 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.701 2.119 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.889 3.847 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.778 2.510 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.894 1.434 -8.602 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.192 0.676 -7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.571 1.790 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.530 3.831 -9.057 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.195 4.282 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.565 4.823 -7.937 1.00 0.00 H new ATOM 477 N ALA A 30 -2.783 2.717 -3.266 1.00 0.00 N ATOM 478 CA ALA A 30 -2.633 3.043 -1.853 1.00 0.00 C ATOM 479 C ALA A 30 -1.237 2.701 -1.343 1.00 0.00 C ATOM 480 O ALA A 30 -0.648 1.696 -1.740 1.00 0.00 O ATOM 481 CB ALA A 30 -3.684 2.313 -1.031 1.00 0.00 C ATOM 0 H ALA A 30 -2.982 1.734 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.774 4.118 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.561 2.565 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.678 2.613 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.567 1.237 -1.163 1.00 0.00 H new ATOM 487 N ASP A 31 -0.717 3.548 -0.459 1.00 0.00 N ATOM 488 CA ASP A 31 0.609 3.343 0.114 1.00 0.00 C ATOM 489 C ASP A 31 0.511 2.762 1.518 1.00 0.00 C ATOM 490 O ASP A 31 -0.585 2.562 2.041 1.00 0.00 O ATOM 491 CB ASP A 31 1.378 4.664 0.155 1.00 0.00 C ATOM 492 CG ASP A 31 2.306 4.833 -1.031 1.00 0.00 C ATOM 493 OD1 ASP A 31 1.998 4.283 -2.109 1.00 0.00 O ATOM 494 OD2 ASP A 31 3.342 5.516 -0.883 1.00 0.00 O ATOM 0 H ASP A 31 -1.195 4.384 -0.124 1.00 0.00 H new ATOM 0 HA ASP A 31 1.144 2.635 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.670 5.492 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.958 4.714 1.076 1.00 0.00 H new ATOM 499 N CYS A 32 1.662 2.506 2.129 1.00 0.00 N ATOM 500 CA CYS A 32 1.697 1.963 3.476 1.00 0.00 C ATOM 501 C CYS A 32 1.956 3.074 4.479 1.00 0.00 C ATOM 502 O CYS A 32 1.488 4.200 4.307 1.00 0.00 O ATOM 503 CB CYS A 32 2.776 0.885 3.602 1.00 0.00 C ATOM 504 SG CYS A 32 2.116 -0.787 3.890 1.00 0.00 S ATOM 0 H CYS A 32 2.579 2.666 1.712 1.00 0.00 H new ATOM 0 HA CYS A 32 0.729 1.507 3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.376 0.877 2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.444 1.148 4.422 1.00 0.00 H new ATOM 509 N TYR A 33 2.691 2.754 5.531 1.00 0.00 N ATOM 510 CA TYR A 33 2.997 3.720 6.560 1.00 0.00 C ATOM 511 C TYR A 33 4.319 3.382 7.232 1.00 0.00 C ATOM 512 O TYR A 33 4.836 4.148 8.045 1.00 0.00 O ATOM 513 CB TYR A 33 1.880 3.715 7.584 1.00 0.00 C ATOM 514 CG TYR A 33 0.880 4.829 7.389 1.00 0.00 C ATOM 515 CD1 TYR A 33 1.209 5.962 6.654 1.00 0.00 C ATOM 516 CD2 TYR A 33 -0.395 4.748 7.932 1.00 0.00 C ATOM 517 CE1 TYR A 33 0.295 6.981 6.468 1.00 0.00 C ATOM 518 CE2 TYR A 33 -1.315 5.762 7.750 1.00 0.00 C ATOM 519 CZ TYR A 33 -0.965 6.877 7.019 1.00 0.00 C ATOM 520 OH TYR A 33 -1.878 7.891 6.835 1.00 0.00 O ATOM 0 H TYR A 33 3.086 1.827 5.691 1.00 0.00 H new ATOM 0 HA TYR A 33 3.085 4.710 6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.360 2.758 7.538 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.312 3.795 8.582 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.195 6.047 6.221 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.672 3.877 8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.566 7.855 5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.303 5.682 8.178 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.261 7.827 5.935 1.00 0.00 H new ATOM 530 N ASN A 34 4.846 2.219 6.886 1.00 0.00 N ATOM 531 CA ASN A 34 6.097 1.739 7.442 1.00 0.00 C ATOM 532 C ASN A 34 7.284 2.207 6.608 1.00 0.00 C ATOM 533 O ASN A 34 8.422 2.216 7.077 1.00 0.00 O ATOM 534 CB ASN A 34 6.068 0.216 7.489 1.00 0.00 C ATOM 535 CG ASN A 34 5.433 -0.314 8.755 1.00 0.00 C ATOM 536 OD1 ASN A 34 4.263 -0.922 8.612 1.00 0.00 O flip ATOM 537 ND2 ASN A 34 5.984 -0.178 9.848 1.00 0.00 N flip ATOM 0 H ASN A 34 4.418 1.583 6.213 1.00 0.00 H new ATOM 0 HA ASN A 34 6.212 2.143 8.448 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.518 -0.160 6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.086 -0.166 7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.885 0.297 9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.540 -0.540 10.692 1.00 0.00 H new ATOM 544 N ASP A 35 7.008 2.586 5.369 1.00 0.00 N ATOM 545 CA ASP A 35 8.049 3.049 4.460 1.00 0.00 C ATOM 546 C ASP A 35 8.640 1.876 3.686 1.00 0.00 C ATOM 547 O ASP A 35 9.044 2.019 2.532 1.00 0.00 O ATOM 548 CB ASP A 35 9.151 3.772 5.235 1.00 0.00 C ATOM 549 CG ASP A 35 9.808 4.866 4.418 1.00 0.00 C ATOM 550 OD1 ASP A 35 9.635 4.869 3.181 1.00 0.00 O ATOM 551 OD2 ASP A 35 10.496 5.720 5.015 1.00 0.00 O ATOM 0 H ASP A 35 6.070 2.582 4.968 1.00 0.00 H new ATOM 0 HA ASP A 35 7.601 3.747 3.752 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.730 4.203 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.907 3.050 5.546 1.00 0.00 H new ATOM 556 N GLY A 36 8.681 0.715 4.331 1.00 0.00 N ATOM 557 CA GLY A 36 9.216 -0.472 3.691 1.00 0.00 C ATOM 558 C GLY A 36 8.147 -1.512 3.424 1.00 0.00 C ATOM 559 O GLY A 36 8.442 -2.610 2.953 1.00 0.00 O ATOM 0 H GLY A 36 8.353 0.575 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.691 -0.192 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.991 -0.905 4.323 1.00 0.00 H new ATOM 563 N GLN A 37 6.900 -1.164 3.729 1.00 0.00 N ATOM 564 CA GLN A 37 5.780 -2.072 3.523 1.00 0.00 C ATOM 565 C GLN A 37 4.790 -1.497 2.515 1.00 0.00 C ATOM 566 O GLN A 37 4.649 -0.280 2.394 1.00 0.00 O ATOM 567 CB GLN A 37 5.069 -2.343 4.849 1.00 0.00 C ATOM 568 CG GLN A 37 5.992 -2.858 5.941 1.00 0.00 C ATOM 569 CD GLN A 37 5.330 -3.902 6.818 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.851 -4.926 6.329 1.00 0.00 O ATOM 571 NE2 GLN A 37 5.301 -3.648 8.121 1.00 0.00 N ATOM 0 H GLN A 37 6.641 -0.258 4.120 1.00 0.00 H new ATOM 0 HA GLN A 37 6.173 -3.009 3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.593 -1.424 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.275 -3.071 4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.885 -3.285 5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.318 -2.022 6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.710 -2.786 8.482 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.869 -4.315 8.761 1.00 0.00 H new ATOM 580 N LYS A 38 4.103 -2.380 1.798 1.00 0.00 N ATOM 581 CA LYS A 38 3.123 -1.961 0.805 1.00 0.00 C ATOM 582 C LYS A 38 1.725 -2.426 1.200 1.00 0.00 C ATOM 583 O LYS A 38 1.545 -3.056 2.243 1.00 0.00 O ATOM 584 CB LYS A 38 3.488 -2.512 -0.575 1.00 0.00 C ATOM 585 CG LYS A 38 4.458 -3.681 -0.524 1.00 0.00 C ATOM 586 CD LYS A 38 3.812 -4.912 0.093 1.00 0.00 C ATOM 587 CE LYS A 38 3.060 -5.725 -0.947 1.00 0.00 C ATOM 588 NZ LYS A 38 3.219 -7.190 -0.729 1.00 0.00 N ATOM 0 H LYS A 38 4.208 -3.391 1.887 1.00 0.00 H new ATOM 0 HA LYS A 38 3.129 -0.872 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.577 -2.828 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.926 -1.712 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.801 -3.915 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.338 -3.401 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.578 -5.533 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.127 -4.607 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.002 -5.466 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.421 -5.465 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.722 -7.609 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.764 -7.354 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.282 -7.631 -0.639 1.00 0.00 H new ATOM 602 N CYS A 39 0.738 -2.107 0.369 1.00 0.00 N ATOM 603 CA CYS A 39 -0.639 -2.492 0.644 1.00 0.00 C ATOM 604 C CYS A 39 -0.966 -3.857 0.048 1.00 0.00 C ATOM 605 O CYS A 39 -0.362 -4.279 -0.937 1.00 0.00 O ATOM 606 CB CYS A 39 -1.604 -1.444 0.089 1.00 0.00 C ATOM 607 SG CYS A 39 -3.197 -1.369 0.968 1.00 0.00 S ATOM 0 H CYS A 39 0.867 -1.584 -0.497 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.754 -2.555 1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.128 -0.465 0.136 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.791 -1.657 -0.963 1.00 0.00 H new ATOM 612 N CYS A 40 -1.932 -4.539 0.655 1.00 0.00 N ATOM 613 CA CYS A 40 -2.357 -5.853 0.189 1.00 0.00 C ATOM 614 C CYS A 40 -3.869 -5.993 0.311 1.00 0.00 C ATOM 615 O CYS A 40 -4.487 -5.391 1.189 1.00 0.00 O ATOM 616 CB CYS A 40 -1.661 -6.956 0.985 1.00 0.00 C ATOM 617 SG CYS A 40 -2.191 -8.640 0.535 1.00 0.00 S ATOM 0 H CYS A 40 -2.437 -4.201 1.474 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.077 -5.953 -0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.584 -6.873 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.850 -6.798 2.047 1.00 0.00 H new ATOM 622 N ARG A 41 -4.464 -6.789 -0.570 1.00 0.00 N ATOM 623 CA ARG A 41 -5.906 -7.000 -0.547 1.00 0.00 C ATOM 624 C ARG A 41 -6.317 -7.796 0.688 1.00 0.00 C ATOM 625 O ARG A 41 -6.797 -8.925 0.582 1.00 0.00 O ATOM 626 CB ARG A 41 -6.358 -7.724 -1.815 1.00 0.00 C ATOM 627 CG ARG A 41 -6.947 -6.796 -2.865 1.00 0.00 C ATOM 628 CD ARG A 41 -6.521 -7.197 -4.267 1.00 0.00 C ATOM 629 NE ARG A 41 -5.294 -6.522 -4.680 1.00 0.00 N ATOM 630 CZ ARG A 41 -5.200 -5.771 -5.773 1.00 0.00 C ATOM 631 NH1 ARG A 41 -6.256 -5.600 -6.556 1.00 0.00 N ATOM 632 NH2 ARG A 41 -4.049 -5.190 -6.084 1.00 0.00 N ATOM 0 H ARG A 41 -3.973 -7.297 -1.306 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.392 -6.025 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.507 -8.253 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.100 -8.477 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.035 -6.811 -2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.629 -5.772 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.372 -8.276 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.319 -6.960 -4.970 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.464 -6.633 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.143 -6.045 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.181 -5.023 -7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.234 -5.319 -5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.979 -4.614 -6.923 1.00 0.00 H new ATOM 646 N LYS A 42 -6.124 -7.198 1.860 1.00 0.00 N ATOM 647 CA LYS A 42 -6.472 -7.849 3.119 1.00 0.00 C ATOM 648 C LYS A 42 -6.728 -9.337 2.910 1.00 0.00 C ATOM 649 O LYS A 42 -5.743 -10.091 2.758 1.00 0.00 O ATOM 650 CB LYS A 42 -7.708 -7.188 3.734 1.00 0.00 C ATOM 651 CG LYS A 42 -7.426 -6.462 5.040 1.00 0.00 C ATOM 652 CD LYS A 42 -6.483 -5.289 4.831 1.00 0.00 C ATOM 653 CE LYS A 42 -5.989 -4.729 6.155 1.00 0.00 C ATOM 654 NZ LYS A 42 -6.561 -5.464 7.317 1.00 0.00 N ATOM 655 OXT LYS A 42 -7.911 -9.738 2.901 1.00 0.00 O ATOM 0 H LYS A 42 -5.728 -6.264 1.964 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.630 -7.737 3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.125 -6.480 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.468 -7.950 3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.362 -6.106 5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.990 -7.157 5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.632 -5.608 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.994 -4.505 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.901 -4.785 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.256 -3.675 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.268 -5.000 8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.599 -5.461 7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.216 -6.445 7.311 1.00 0.00 H new