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 -24:sc= 0.135 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.593 F(o=-3.4!,f=-0.59) USER MOD Single : A 18 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.007) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 66:sc= -1.76! 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=-0.00102 X(o=-0.001,f=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.408 F(o=-3.6!,f=-0.41) USER MOD Single : A 38 LYS NZ :NH3+ -110:sc= -1.45 (180deg=-5.63!) USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= 0.754 (180deg=0.502!) USER MOD ----------------------------------------------------------------- ATOM 136 N ASP A 8 -2.885 6.024 1.953 1.00 0.00 N ATOM 137 CA ASP A 8 -2.246 4.851 2.521 1.00 0.00 C ATOM 138 C ASP A 8 -3.033 3.592 2.183 1.00 0.00 C ATOM 139 O ASP A 8 -3.831 3.577 1.247 1.00 0.00 O ATOM 140 CB ASP A 8 -2.138 4.998 4.036 1.00 0.00 C ATOM 141 CG ASP A 8 -0.703 5.121 4.507 1.00 0.00 C ATOM 142 OD1 ASP A 8 0.136 5.620 3.728 1.00 0.00 O ATOM 143 OD2 ASP A 8 -0.419 4.720 5.656 1.00 0.00 O ATOM 0 HA ASP A 8 -1.247 4.763 2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.698 5.878 4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.602 4.136 4.515 1.00 0.00 H new ATOM 148 N CYS A 9 -2.806 2.541 2.958 1.00 0.00 N ATOM 149 CA CYS A 9 -3.495 1.275 2.751 1.00 0.00 C ATOM 150 C CYS A 9 -4.709 1.167 3.663 1.00 0.00 C ATOM 151 O CYS A 9 -5.789 0.768 3.232 1.00 0.00 O ATOM 152 CB CYS A 9 -2.548 0.104 3.015 1.00 0.00 C ATOM 153 SG CYS A 9 -3.299 -1.532 2.739 1.00 0.00 S ATOM 0 H CYS A 9 -2.148 2.540 3.738 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.830 1.238 1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.674 0.205 2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.194 0.161 4.044 1.00 0.00 H new ATOM 158 N GLU A 10 -4.524 1.526 4.926 1.00 0.00 N ATOM 159 CA GLU A 10 -5.605 1.468 5.900 1.00 0.00 C ATOM 160 C GLU A 10 -6.722 2.439 5.534 1.00 0.00 C ATOM 161 O GLU A 10 -7.891 2.196 5.830 1.00 0.00 O ATOM 162 CB GLU A 10 -5.071 1.784 7.297 1.00 0.00 C ATOM 163 CG GLU A 10 -5.368 0.702 8.323 1.00 0.00 C ATOM 164 CD GLU A 10 -6.673 0.936 9.059 1.00 0.00 C ATOM 165 OE1 GLU A 10 -7.683 1.241 8.391 1.00 0.00 O ATOM 166 OE2 GLU A 10 -6.686 0.811 10.301 1.00 0.00 O ATOM 0 H GLU A 10 -3.636 1.860 5.300 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.015 0.458 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.993 1.932 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.504 2.724 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.406 -0.266 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.552 0.657 9.044 1.00 0.00 H new ATOM 173 N SER A 11 -6.352 3.539 4.886 1.00 0.00 N ATOM 174 CA SER A 11 -7.321 4.548 4.478 1.00 0.00 C ATOM 175 C SER A 11 -8.218 4.024 3.361 1.00 0.00 C ATOM 176 O SER A 11 -9.277 4.590 3.085 1.00 0.00 O ATOM 177 CB SER A 11 -6.602 5.817 4.015 1.00 0.00 C ATOM 178 OG SER A 11 -7.526 6.849 3.721 1.00 0.00 O ATOM 0 H SER A 11 -5.388 3.754 4.632 1.00 0.00 H new ATOM 0 HA SER A 11 -7.945 4.784 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.913 6.152 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.004 5.598 3.131 1.00 0.00 H new ATOM 0 HG SER A 11 -8.397 6.456 3.502 1.00 0.00 H new ATOM 184 N ILE A 12 -7.786 2.944 2.720 1.00 0.00 N ATOM 185 CA ILE A 12 -8.544 2.346 1.633 1.00 0.00 C ATOM 186 C ILE A 12 -9.207 1.047 2.072 1.00 0.00 C ATOM 187 O ILE A 12 -9.879 0.382 1.284 1.00 0.00 O ATOM 188 CB ILE A 12 -7.637 2.048 0.432 1.00 0.00 C ATOM 189 CG1 ILE A 12 -6.332 1.402 0.897 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.358 3.319 -0.355 1.00 0.00 C ATOM 191 CD1 ILE A 12 -5.671 0.548 -0.163 1.00 0.00 C ATOM 0 H ILE A 12 -6.912 2.465 2.937 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.311 3.066 1.346 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.152 1.347 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.639 2.184 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.532 0.788 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.713 3.088 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.298 3.736 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.863 4.045 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.751 0.121 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.347 -0.256 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.439 1.163 -1.033 1.00 0.00 H new ATOM 203 N ASN A 13 -9.005 0.691 3.331 1.00 0.00 N ATOM 204 CA ASN A 13 -9.572 -0.533 3.884 1.00 0.00 C ATOM 205 C ASN A 13 -8.721 -1.740 3.504 1.00 0.00 C ATOM 206 O ASN A 13 -9.242 -2.798 3.155 1.00 0.00 O ATOM 207 CB ASN A 13 -11.005 -0.728 3.383 1.00 0.00 C ATOM 208 CG ASN A 13 -11.753 -1.790 4.164 1.00 0.00 C ATOM 209 OD1 ASN A 13 -11.054 -2.461 5.072 1.00 0.00 O flip ATOM 210 ND2 ASN A 13 -12.948 -2.004 3.956 1.00 0.00 N flip ATOM 0 H ASN A 13 -8.450 1.234 3.993 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.584 -0.443 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.543 0.217 3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -10.984 -1.004 2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.447 -1.465 3.248 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.439 -2.720 4.491 1.00 0.00 H new ATOM 217 N GLY A 14 -7.404 -1.568 3.578 1.00 0.00 N ATOM 218 CA GLY A 14 -6.491 -2.645 3.241 1.00 0.00 C ATOM 219 C GLY A 14 -5.551 -2.985 4.381 1.00 0.00 C ATOM 220 O GLY A 14 -5.786 -2.595 5.525 1.00 0.00 O ATOM 0 H GLY A 14 -6.953 -0.700 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.064 -3.532 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.908 -2.362 2.365 1.00 0.00 H new ATOM 224 N VAL A 15 -4.484 -3.714 4.070 1.00 0.00 N ATOM 225 CA VAL A 15 -3.505 -4.106 5.077 1.00 0.00 C ATOM 226 C VAL A 15 -2.100 -3.683 4.671 1.00 0.00 C ATOM 227 O VAL A 15 -1.858 -3.323 3.520 1.00 0.00 O ATOM 228 CB VAL A 15 -3.526 -5.628 5.314 1.00 0.00 C ATOM 229 CG1 VAL A 15 -3.129 -6.372 4.050 1.00 0.00 C ATOM 230 CG2 VAL A 15 -2.611 -6.001 6.470 1.00 0.00 C ATOM 0 H VAL A 15 -4.275 -4.045 3.128 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.779 -3.598 6.002 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.543 -5.922 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.150 -7.445 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.829 -6.130 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.123 -6.075 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.639 -7.080 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.591 -5.693 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.947 -5.498 7.377 1.00 0.00 H new ATOM 240 N CYS A 16 -1.177 -3.720 5.624 1.00 0.00 N ATOM 241 CA CYS A 16 0.201 -3.332 5.360 1.00 0.00 C ATOM 242 C CYS A 16 1.148 -4.517 5.508 1.00 0.00 C ATOM 243 O CYS A 16 1.526 -4.889 6.620 1.00 0.00 O ATOM 244 CB CYS A 16 0.621 -2.202 6.300 1.00 0.00 C ATOM 245 SG CYS A 16 0.721 -0.570 5.498 1.00 0.00 S ATOM 0 H CYS A 16 -1.358 -4.014 6.584 1.00 0.00 H new ATOM 0 HA CYS A 16 0.259 -2.980 4.330 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.089 -2.147 7.125 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.593 -2.444 6.731 1.00 0.00 H new ATOM 250 N ARG A 17 1.531 -5.103 4.379 1.00 0.00 N ATOM 251 CA ARG A 17 2.439 -6.244 4.375 1.00 0.00 C ATOM 252 C ARG A 17 3.809 -5.843 3.839 1.00 0.00 C ATOM 253 O ARG A 17 4.133 -4.657 3.762 1.00 0.00 O ATOM 254 CB ARG A 17 1.859 -7.379 3.529 1.00 0.00 C ATOM 255 CG ARG A 17 2.148 -8.762 4.087 1.00 0.00 C ATOM 256 CD ARG A 17 0.868 -9.557 4.294 1.00 0.00 C ATOM 257 NE ARG A 17 0.403 -9.496 5.677 1.00 0.00 N ATOM 258 CZ ARG A 17 -0.064 -10.545 6.343 1.00 0.00 C ATOM 259 NH1 ARG A 17 -0.128 -11.731 5.754 1.00 0.00 N ATOM 260 NH2 ARG A 17 -0.467 -10.411 7.599 1.00 0.00 N ATOM 0 H ARG A 17 1.226 -4.806 3.452 1.00 0.00 H new ATOM 0 HA ARG A 17 2.557 -6.590 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.780 -7.247 3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.264 -7.312 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.806 -9.301 3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.678 -8.670 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.091 -9.172 3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.038 -10.597 4.014 1.00 0.00 H new ATOM 0 HE ARG A 17 0.439 -8.597 6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.182 -11.838 4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.487 -12.536 6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.419 -9.500 8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.825 -11.219 8.109 1.00 0.00 H new ATOM 274 N HIS A 18 4.610 -6.836 3.469 1.00 0.00 N ATOM 275 CA HIS A 18 5.943 -6.589 2.939 1.00 0.00 C ATOM 276 C HIS A 18 5.907 -6.443 1.422 1.00 0.00 C ATOM 277 O HIS A 18 5.167 -7.150 0.737 1.00 0.00 O ATOM 278 CB HIS A 18 6.886 -7.728 3.328 1.00 0.00 C ATOM 279 CG HIS A 18 8.040 -7.288 4.172 1.00 0.00 C ATOM 280 ND1 HIS A 18 9.315 -7.795 4.029 1.00 0.00 N ATOM 281 CD2 HIS A 18 8.109 -6.380 5.175 1.00 0.00 C ATOM 282 CE1 HIS A 18 10.117 -7.218 4.907 1.00 0.00 C ATOM 283 NE2 HIS A 18 9.411 -6.357 5.613 1.00 0.00 N ATOM 0 H HIS A 18 4.357 -7.822 3.527 1.00 0.00 H new ATOM 0 HA HIS A 18 6.310 -5.657 3.368 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.321 -8.488 3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.268 -8.198 2.422 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.293 -5.785 5.559 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.172 -7.418 5.026 1.00 0.00 H new ATOM 0 HE2 HIS A 18 9.773 -5.769 6.363 1.00 0.00 H new ATOM 292 N LYS A 19 6.714 -5.526 0.905 1.00 0.00 N ATOM 293 CA LYS A 19 6.780 -5.291 -0.532 1.00 0.00 C ATOM 294 C LYS A 19 7.549 -6.412 -1.225 1.00 0.00 C ATOM 295 O LYS A 19 7.780 -6.366 -2.433 1.00 0.00 O ATOM 296 CB LYS A 19 7.444 -3.944 -0.823 1.00 0.00 C ATOM 297 CG LYS A 19 8.545 -3.580 0.161 1.00 0.00 C ATOM 298 CD LYS A 19 9.378 -2.413 -0.344 1.00 0.00 C ATOM 299 CE LYS A 19 10.586 -2.165 0.545 1.00 0.00 C ATOM 300 NZ LYS A 19 11.203 -0.835 0.283 1.00 0.00 N ATOM 0 H LYS A 19 7.332 -4.933 1.459 1.00 0.00 H new ATOM 0 HA LYS A 19 5.762 -5.274 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.861 -3.964 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.683 -3.163 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.104 -3.324 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.189 -4.444 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.710 -2.615 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.762 -1.514 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.286 -2.227 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.326 -2.948 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.023 -0.704 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.512 -0.785 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.505 -0.086 0.466 1.00 0.00 H new ATOM 314 N ASP A 20 7.940 -7.418 -0.448 1.00 0.00 N ATOM 315 CA ASP A 20 8.681 -8.554 -0.982 1.00 0.00 C ATOM 316 C ASP A 20 8.065 -9.870 -0.520 1.00 0.00 C ATOM 317 O ASP A 20 8.738 -10.898 -0.468 1.00 0.00 O ATOM 318 CB ASP A 20 10.147 -8.484 -0.546 1.00 0.00 C ATOM 319 CG ASP A 20 11.103 -8.793 -1.681 1.00 0.00 C ATOM 320 OD1 ASP A 20 10.633 -8.950 -2.828 1.00 0.00 O ATOM 321 OD2 ASP A 20 12.322 -8.878 -1.423 1.00 0.00 O ATOM 0 H ASP A 20 7.755 -7.469 0.554 1.00 0.00 H new ATOM 0 HA ASP A 20 8.630 -8.511 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.360 -7.489 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.315 -9.188 0.269 1.00 0.00 H new ATOM 326 N THR A 21 6.778 -9.830 -0.187 1.00 0.00 N ATOM 327 CA THR A 21 6.070 -11.017 0.268 1.00 0.00 C ATOM 328 C THR A 21 6.177 -12.133 -0.762 1.00 0.00 C ATOM 329 O THR A 21 7.236 -12.740 -0.925 1.00 0.00 O ATOM 330 CB THR A 21 4.599 -10.689 0.533 1.00 0.00 C ATOM 331 OG1 THR A 21 4.442 -9.320 0.857 1.00 0.00 O ATOM 332 CG2 THR A 21 3.999 -11.501 1.659 1.00 0.00 C ATOM 0 H THR A 21 6.206 -8.986 -0.225 1.00 0.00 H new ATOM 0 HA THR A 21 6.530 -11.355 1.197 1.00 0.00 H new ATOM 0 HB THR A 21 4.076 -10.938 -0.390 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.677 -8.771 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.955 -11.219 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.060 -12.562 1.415 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.549 -11.308 2.580 1.00 0.00 H new ATOM 340 N VAL A 22 5.076 -12.402 -1.454 1.00 0.00 N ATOM 341 CA VAL A 22 5.056 -13.447 -2.463 1.00 0.00 C ATOM 342 C VAL A 22 3.741 -13.454 -3.234 1.00 0.00 C ATOM 343 O VAL A 22 3.714 -13.226 -4.442 1.00 0.00 O ATOM 344 CB VAL A 22 5.285 -14.828 -1.821 1.00 0.00 C ATOM 345 CG1 VAL A 22 4.052 -15.713 -1.942 1.00 0.00 C ATOM 346 CG2 VAL A 22 6.493 -15.501 -2.444 1.00 0.00 C ATOM 0 H VAL A 22 4.190 -11.911 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 22 5.865 -13.237 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 22 5.475 -14.678 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.251 -16.679 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.211 -15.235 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.811 -15.859 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.645 -16.476 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.327 -15.628 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.376 -14.883 -2.285 1.00 0.00 H new ATOM 356 N ASN A 23 2.658 -13.729 -2.523 1.00 0.00 N ATOM 357 CA ASN A 23 1.338 -13.781 -3.132 1.00 0.00 C ATOM 358 C ASN A 23 0.353 -12.902 -2.368 1.00 0.00 C ATOM 359 O ASN A 23 -0.851 -13.160 -2.359 1.00 0.00 O ATOM 360 CB ASN A 23 0.843 -15.226 -3.165 1.00 0.00 C ATOM 361 CG ASN A 23 0.288 -15.617 -4.520 1.00 0.00 C ATOM 362 OD1 ASN A 23 -0.881 -15.375 -4.819 1.00 0.00 O ATOM 363 ND2 ASN A 23 1.129 -16.226 -5.348 1.00 0.00 N ATOM 0 H ASN A 23 2.668 -13.920 -1.521 1.00 0.00 H new ATOM 0 HA ASN A 23 1.409 -13.402 -4.152 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.664 -15.894 -2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.071 -15.360 -2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.814 -16.513 -6.275 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.090 -16.406 -5.057 1.00 0.00 H new ATOM 370 N CYS A 24 0.877 -11.862 -1.727 1.00 0.00 N ATOM 371 CA CYS A 24 0.052 -10.939 -0.958 1.00 0.00 C ATOM 372 C CYS A 24 -0.381 -9.754 -1.814 1.00 0.00 C ATOM 373 O CYS A 24 0.255 -8.700 -1.801 1.00 0.00 O ATOM 374 CB CYS A 24 0.820 -10.444 0.269 1.00 0.00 C ATOM 375 SG CYS A 24 0.510 -8.698 0.687 1.00 0.00 S ATOM 0 H CYS A 24 1.872 -11.638 -1.726 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.841 -11.471 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.554 -11.064 1.125 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.887 -10.581 0.096 1.00 0.00 H new ATOM 380 N ARG A 25 -1.470 -9.933 -2.556 1.00 0.00 N ATOM 381 CA ARG A 25 -1.988 -8.876 -3.416 1.00 0.00 C ATOM 382 C ARG A 25 -1.684 -7.505 -2.821 1.00 0.00 C ATOM 383 O ARG A 25 -2.082 -7.207 -1.696 1.00 0.00 O ATOM 384 CB ARG A 25 -3.496 -9.039 -3.611 1.00 0.00 C ATOM 385 CG ARG A 25 -4.043 -10.347 -3.061 1.00 0.00 C ATOM 386 CD ARG A 25 -3.728 -11.514 -3.982 1.00 0.00 C ATOM 387 NE ARG A 25 -3.068 -11.079 -5.210 1.00 0.00 N ATOM 388 CZ ARG A 25 -2.973 -11.833 -6.301 1.00 0.00 C ATOM 389 NH1 ARG A 25 -3.494 -13.052 -6.314 1.00 0.00 N ATOM 390 NH2 ARG A 25 -2.358 -11.367 -7.379 1.00 0.00 N ATOM 0 H ARG A 25 -2.009 -10.798 -2.579 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.497 -8.953 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.009 -8.208 -3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.725 -8.978 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.617 -10.535 -2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.122 -10.265 -2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.089 -12.226 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.651 -12.038 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.657 -10.146 -5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.969 -13.413 -5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.420 -13.629 -7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.957 -10.429 -7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.286 -11.946 -8.215 1.00 0.00 H new ATOM 404 N GLU A 26 -0.975 -6.678 -3.581 1.00 0.00 N ATOM 405 CA GLU A 26 -0.618 -5.341 -3.120 1.00 0.00 C ATOM 406 C GLU A 26 -1.554 -4.291 -3.709 1.00 0.00 C ATOM 407 O GLU A 26 -2.050 -4.442 -4.826 1.00 0.00 O ATOM 408 CB GLU A 26 0.831 -5.022 -3.494 1.00 0.00 C ATOM 409 CG GLU A 26 1.010 -3.643 -4.106 1.00 0.00 C ATOM 410 CD GLU A 26 2.390 -3.446 -4.704 1.00 0.00 C ATOM 411 OE1 GLU A 26 2.874 -4.366 -5.395 1.00 0.00 O ATOM 412 OE2 GLU A 26 2.987 -2.372 -4.479 1.00 0.00 O ATOM 0 H GLU A 26 -0.637 -6.908 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.719 -5.319 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.453 -5.098 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.190 -5.773 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.258 -3.492 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.837 -2.885 -3.342 1.00 0.00 H new ATOM 419 N ILE A 27 -1.795 -3.229 -2.947 1.00 0.00 N ATOM 420 CA ILE A 27 -2.674 -2.154 -3.389 1.00 0.00 C ATOM 421 C ILE A 27 -1.878 -0.916 -3.788 1.00 0.00 C ATOM 422 O ILE A 27 -1.747 0.029 -3.008 1.00 0.00 O ATOM 423 CB ILE A 27 -3.687 -1.771 -2.294 1.00 0.00 C ATOM 424 CG1 ILE A 27 -4.896 -2.707 -2.338 1.00 0.00 C ATOM 425 CG2 ILE A 27 -4.129 -0.325 -2.457 1.00 0.00 C ATOM 426 CD1 ILE A 27 -5.704 -2.711 -1.060 1.00 0.00 C ATOM 0 H ILE A 27 -1.393 -3.090 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.214 -2.527 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.202 -1.874 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.542 -2.414 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.553 -3.721 -2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.845 -0.073 -1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.262 0.331 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.598 -0.196 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.545 -3.397 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.073 -3.033 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.077 -1.706 -0.862 1.00 0.00 H new ATOM 438 N PHE A 28 -1.352 -0.926 -5.007 1.00 0.00 N ATOM 439 CA PHE A 28 -0.573 0.197 -5.516 1.00 0.00 C ATOM 440 C PHE A 28 -1.229 1.520 -5.143 1.00 0.00 C ATOM 441 O PHE A 28 -0.728 2.266 -4.301 1.00 0.00 O ATOM 442 CB PHE A 28 -0.449 0.103 -7.037 1.00 0.00 C ATOM 443 CG PHE A 28 -0.978 -1.184 -7.604 1.00 0.00 C ATOM 444 CD1 PHE A 28 -2.339 -1.441 -7.619 1.00 0.00 C ATOM 445 CD2 PHE A 28 -0.114 -2.136 -8.123 1.00 0.00 C ATOM 446 CE1 PHE A 28 -2.831 -2.622 -8.139 1.00 0.00 C ATOM 447 CE2 PHE A 28 -0.599 -3.320 -8.645 1.00 0.00 C ATOM 448 CZ PHE A 28 -1.960 -3.563 -8.653 1.00 0.00 C ATOM 0 H PHE A 28 -1.451 -1.701 -5.663 1.00 0.00 H new ATOM 0 HA PHE A 28 0.419 0.155 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.985 0.937 -7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.600 0.209 -7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.024 -0.708 -7.219 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.950 -1.950 -8.119 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.895 -2.810 -8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.084 -4.054 -9.046 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.342 -4.487 -9.061 1.00 0.00 H new ATOM 458 N LEU A 29 -2.354 1.796 -5.785 1.00 0.00 N ATOM 459 CA LEU A 29 -3.107 3.020 -5.547 1.00 0.00 C ATOM 460 C LEU A 29 -2.866 3.566 -4.145 1.00 0.00 C ATOM 461 O LEU A 29 -2.663 4.767 -3.961 1.00 0.00 O ATOM 462 CB LEU A 29 -4.594 2.745 -5.745 1.00 0.00 C ATOM 463 CG LEU A 29 -4.987 2.356 -7.170 1.00 0.00 C ATOM 464 CD1 LEU A 29 -6.044 1.262 -7.151 1.00 0.00 C ATOM 465 CD2 LEU A 29 -5.485 3.570 -7.938 1.00 0.00 C ATOM 0 H LEU A 29 -2.770 1.181 -6.484 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.766 3.772 -6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.895 1.945 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.156 3.634 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.103 1.970 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.312 0.997 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.649 0.384 -6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.929 1.620 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.760 3.273 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.356 3.988 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.696 4.321 -7.982 1.00 0.00 H new ATOM 477 N ALA A 30 -2.904 2.681 -3.161 1.00 0.00 N ATOM 478 CA ALA A 30 -2.704 3.074 -1.771 1.00 0.00 C ATOM 479 C ALA A 30 -1.273 2.810 -1.314 1.00 0.00 C ATOM 480 O ALA A 30 -0.542 2.040 -1.936 1.00 0.00 O ATOM 481 CB ALA A 30 -3.684 2.335 -0.875 1.00 0.00 C ATOM 0 H ALA A 30 -3.072 1.684 -3.297 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.884 4.146 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.527 2.635 0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.704 2.578 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.525 1.261 -0.970 1.00 0.00 H new ATOM 487 N ASP A 31 -0.884 3.459 -0.221 1.00 0.00 N ATOM 488 CA ASP A 31 0.458 3.303 0.328 1.00 0.00 C ATOM 489 C ASP A 31 0.407 2.733 1.739 1.00 0.00 C ATOM 490 O ASP A 31 -0.669 2.555 2.309 1.00 0.00 O ATOM 491 CB ASP A 31 1.186 4.648 0.336 1.00 0.00 C ATOM 492 CG ASP A 31 1.641 5.067 -1.048 1.00 0.00 C ATOM 493 OD1 ASP A 31 1.178 4.457 -2.035 1.00 0.00 O ATOM 494 OD2 ASP A 31 2.459 6.005 -1.145 1.00 0.00 O ATOM 0 H ASP A 31 -1.481 4.099 0.303 1.00 0.00 H new ATOM 0 HA ASP A 31 1.003 2.604 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.526 5.413 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.051 4.586 0.997 1.00 0.00 H new ATOM 499 N CYS A 32 1.578 2.454 2.296 1.00 0.00 N ATOM 500 CA CYS A 32 1.666 1.911 3.641 1.00 0.00 C ATOM 501 C CYS A 32 1.986 3.015 4.634 1.00 0.00 C ATOM 502 O CYS A 32 1.558 4.157 4.467 1.00 0.00 O ATOM 503 CB CYS A 32 2.735 0.818 3.713 1.00 0.00 C ATOM 504 SG CYS A 32 2.065 -0.850 4.004 1.00 0.00 S ATOM 0 H CYS A 32 2.478 2.595 1.837 1.00 0.00 H new ATOM 0 HA CYS A 32 0.702 1.472 3.896 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.301 0.814 2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.437 1.061 4.511 1.00 0.00 H new ATOM 509 N TYR A 33 2.729 2.672 5.672 1.00 0.00 N ATOM 510 CA TYR A 33 3.090 3.632 6.691 1.00 0.00 C ATOM 511 C TYR A 33 4.465 3.319 7.261 1.00 0.00 C ATOM 512 O TYR A 33 5.026 4.095 8.035 1.00 0.00 O ATOM 513 CB TYR A 33 2.048 3.595 7.791 1.00 0.00 C ATOM 514 CG TYR A 33 1.017 4.693 7.678 1.00 0.00 C ATOM 515 CD1 TYR A 33 1.345 5.925 7.125 1.00 0.00 C ATOM 516 CD2 TYR A 33 -0.284 4.496 8.119 1.00 0.00 C ATOM 517 CE1 TYR A 33 0.404 6.931 7.018 1.00 0.00 C ATOM 518 CE2 TYR A 33 -1.231 5.497 8.016 1.00 0.00 C ATOM 519 CZ TYR A 33 -0.882 6.712 7.465 1.00 0.00 C ATOM 520 OH TYR A 33 -1.823 7.711 7.360 1.00 0.00 O ATOM 0 H TYR A 33 3.093 1.732 5.828 1.00 0.00 H new ATOM 0 HA TYR A 33 3.127 4.628 6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.543 2.629 7.771 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.547 3.673 8.757 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.351 6.099 6.773 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.561 3.545 8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.674 7.884 6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.239 5.329 8.365 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.678 7.394 7.720 1.00 0.00 H new ATOM 530 N ASN A 34 4.994 2.171 6.870 1.00 0.00 N ATOM 531 CA ASN A 34 6.297 1.724 7.325 1.00 0.00 C ATOM 532 C ASN A 34 7.396 2.233 6.403 1.00 0.00 C ATOM 533 O ASN A 34 8.572 2.254 6.769 1.00 0.00 O ATOM 534 CB ASN A 34 6.320 0.201 7.360 1.00 0.00 C ATOM 535 CG ASN A 34 5.808 -0.361 8.667 1.00 0.00 C ATOM 536 OD1 ASN A 34 6.452 -0.234 9.708 1.00 0.00 O ATOM 537 ND2 ASN A 34 4.642 -0.991 8.617 1.00 0.00 N ATOM 0 H ASN A 34 4.532 1.525 6.230 1.00 0.00 H new ATOM 0 HA ASN A 34 6.476 2.122 8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.714 -0.186 6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.340 -0.147 7.194 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.244 -1.395 9.465 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.144 -1.072 7.731 1.00 0.00 H new ATOM 544 N ASP A 35 7.001 2.633 5.203 1.00 0.00 N ATOM 545 CA ASP A 35 7.945 3.136 4.214 1.00 0.00 C ATOM 546 C ASP A 35 8.583 1.980 3.454 1.00 0.00 C ATOM 547 O ASP A 35 9.063 2.146 2.333 1.00 0.00 O ATOM 548 CB ASP A 35 9.026 3.983 4.887 1.00 0.00 C ATOM 549 CG ASP A 35 8.461 5.228 5.543 1.00 0.00 C ATOM 550 OD1 ASP A 35 7.331 5.624 5.188 1.00 0.00 O ATOM 551 OD2 ASP A 35 9.148 5.806 6.411 1.00 0.00 O ATOM 0 H ASP A 35 6.030 2.619 4.890 1.00 0.00 H new ATOM 0 HA ASP A 35 7.401 3.763 3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.540 3.382 5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.771 4.273 4.146 1.00 0.00 H new ATOM 556 N GLY A 36 8.575 0.806 4.075 1.00 0.00 N ATOM 557 CA GLY A 36 9.145 -0.370 3.450 1.00 0.00 C ATOM 558 C GLY A 36 8.098 -1.429 3.169 1.00 0.00 C ATOM 559 O GLY A 36 8.390 -2.454 2.552 1.00 0.00 O ATOM 0 H GLY A 36 8.182 0.649 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.631 -0.085 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.917 -0.786 4.097 1.00 0.00 H new ATOM 563 N GLN A 37 6.873 -1.180 3.622 1.00 0.00 N ATOM 564 CA GLN A 37 5.777 -2.117 3.418 1.00 0.00 C ATOM 565 C GLN A 37 4.792 -1.578 2.388 1.00 0.00 C ATOM 566 O GLN A 37 4.769 -0.380 2.100 1.00 0.00 O ATOM 567 CB GLN A 37 5.054 -2.387 4.739 1.00 0.00 C ATOM 568 CG GLN A 37 5.984 -2.788 5.871 1.00 0.00 C ATOM 569 CD GLN A 37 5.298 -3.656 6.908 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.046 -4.011 6.646 1.00 0.00 O flip ATOM 571 NE2 GLN A 37 5.887 -4.003 7.932 1.00 0.00 N flip ATOM 0 H GLN A 37 6.616 -0.336 4.133 1.00 0.00 H new ATOM 0 HA GLN A 37 6.195 -3.052 3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.504 -1.493 5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.319 -3.178 4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.839 -3.325 5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.372 -1.891 6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.850 -3.706 8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.412 -4.587 8.620 1.00 0.00 H new ATOM 580 N LYS A 38 3.978 -2.469 1.837 1.00 0.00 N ATOM 581 CA LYS A 38 2.988 -2.089 0.839 1.00 0.00 C ATOM 582 C LYS A 38 1.587 -2.483 1.293 1.00 0.00 C ATOM 583 O LYS A 38 1.410 -3.026 2.382 1.00 0.00 O ATOM 584 CB LYS A 38 3.307 -2.751 -0.502 1.00 0.00 C ATOM 585 CG LYS A 38 4.271 -3.921 -0.387 1.00 0.00 C ATOM 586 CD LYS A 38 3.683 -5.189 -0.986 1.00 0.00 C ATOM 587 CE LYS A 38 4.191 -5.423 -2.400 1.00 0.00 C ATOM 588 NZ LYS A 38 3.422 -6.491 -3.097 1.00 0.00 N ATOM 0 H LYS A 38 3.985 -3.463 2.066 1.00 0.00 H new ATOM 0 HA LYS A 38 3.023 -1.006 0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.379 -3.098 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.732 -2.005 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.204 -3.676 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.514 -4.092 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.941 -6.043 -0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.595 -5.118 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.122 -4.496 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.245 -5.698 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.024 -7.331 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.585 -6.741 -2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.119 -6.148 -4.031 1.00 0.00 H new ATOM 602 N CYS A 39 0.596 -2.210 0.453 1.00 0.00 N ATOM 603 CA CYS A 39 -0.785 -2.543 0.775 1.00 0.00 C ATOM 604 C CYS A 39 -1.124 -3.949 0.290 1.00 0.00 C ATOM 605 O CYS A 39 -0.520 -4.451 -0.656 1.00 0.00 O ATOM 606 CB CYS A 39 -1.738 -1.527 0.140 1.00 0.00 C ATOM 607 SG CYS A 39 -3.460 -1.660 0.720 1.00 0.00 S ATOM 0 H CYS A 39 0.723 -1.760 -0.454 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.902 -2.510 1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.372 -0.522 0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.719 -1.655 -0.942 1.00 0.00 H new ATOM 612 N CYS A 40 -2.089 -4.579 0.950 1.00 0.00 N ATOM 613 CA CYS A 40 -2.510 -5.928 0.590 1.00 0.00 C ATOM 614 C CYS A 40 -4.024 -6.060 0.689 1.00 0.00 C ATOM 615 O CYS A 40 -4.666 -5.371 1.480 1.00 0.00 O ATOM 616 CB CYS A 40 -1.836 -6.957 1.499 1.00 0.00 C ATOM 617 SG CYS A 40 -1.515 -8.559 0.694 1.00 0.00 S ATOM 0 H CYS A 40 -2.595 -4.176 1.739 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.209 -6.116 -0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.892 -6.547 1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.465 -7.121 2.374 1.00 0.00 H new ATOM 622 N ARG A 41 -4.592 -6.950 -0.118 1.00 0.00 N ATOM 623 CA ARG A 41 -6.032 -7.167 -0.115 1.00 0.00 C ATOM 624 C ARG A 41 -6.472 -7.862 1.169 1.00 0.00 C ATOM 625 O ARG A 41 -7.011 -8.968 1.136 1.00 0.00 O ATOM 626 CB ARG A 41 -6.446 -8.000 -1.329 1.00 0.00 C ATOM 627 CG ARG A 41 -6.825 -7.165 -2.540 1.00 0.00 C ATOM 628 CD ARG A 41 -6.533 -7.900 -3.838 1.00 0.00 C ATOM 629 NE ARG A 41 -5.492 -7.240 -4.619 1.00 0.00 N ATOM 630 CZ ARG A 41 -5.636 -6.896 -5.895 1.00 0.00 C ATOM 631 NH1 ARG A 41 -6.773 -7.148 -6.528 1.00 0.00 N ATOM 632 NH2 ARG A 41 -4.642 -6.297 -6.539 1.00 0.00 N ATOM 0 H ARG A 41 -4.078 -7.531 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.522 -6.195 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.626 -8.665 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.291 -8.631 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.885 -6.915 -2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.274 -6.225 -2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.226 -8.922 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.445 -7.964 -4.431 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.605 -7.031 -4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.540 -7.607 -6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.881 -6.883 -7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.766 -6.100 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.754 -6.034 -7.518 1.00 0.00 H new ATOM 646 N LYS A 42 -6.235 -7.206 2.301 1.00 0.00 N ATOM 647 CA LYS A 42 -6.604 -7.760 3.598 1.00 0.00 C ATOM 648 C LYS A 42 -6.702 -9.280 3.534 1.00 0.00 C ATOM 649 O LYS A 42 -7.838 -9.800 3.555 1.00 0.00 O ATOM 650 CB LYS A 42 -7.935 -7.171 4.068 1.00 0.00 C ATOM 651 CG LYS A 42 -7.803 -6.246 5.266 1.00 0.00 C ATOM 652 CD LYS A 42 -6.522 -5.430 5.201 1.00 0.00 C ATOM 653 CE LYS A 42 -6.090 -4.962 6.582 1.00 0.00 C ATOM 654 NZ LYS A 42 -7.050 -3.983 7.161 1.00 0.00 N ATOM 655 OXT LYS A 42 -5.643 -9.938 3.461 1.00 0.00 O ATOM 0 H LYS A 42 -5.789 -6.290 2.346 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.825 -7.495 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.390 -6.622 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.614 -7.985 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.661 -5.575 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.815 -6.834 6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.729 -6.030 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.672 -4.566 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.003 -5.822 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.101 -4.507 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.816 -3.817 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.989 -3.086 6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.016 -4.361 7.090 1.00 0.00 H new