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 18 HIS :FLIP no HD1:sc= -0.0336 X(o=-0.5,f=-0.24) USER MOD Set 1.2: A 34 ASN :FLIP amide:sc= 0.0875 F(o=-1.3,f=-0.24) USER MOD Set 1.3: A 37 GLN : amide:sc= -0.297 K(o=-0.24,f=-1.3) USER MOD Set 2.1: A 21 THR OG1 : rot -34:sc= -0.473! USER MOD Set 2.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.12 USER MOD Single : A 13 ASN :FLIP amide:sc= -1.91! C(o=-2.8!,f=-1.9!) 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 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= -0.552 (180deg=-1.42!) USER MOD ----------------------------------------------------------------- ATOM 136 N ASP A 8 -2.971 5.882 1.847 1.00 0.00 N ATOM 137 CA ASP A 8 -2.335 4.706 2.420 1.00 0.00 C ATOM 138 C ASP A 8 -3.140 3.453 2.112 1.00 0.00 C ATOM 139 O ASP A 8 -3.962 3.435 1.198 1.00 0.00 O ATOM 140 CB ASP A 8 -2.199 4.858 3.934 1.00 0.00 C ATOM 141 CG ASP A 8 -0.754 4.850 4.391 1.00 0.00 C ATOM 142 OD1 ASP A 8 -0.043 5.845 4.132 1.00 0.00 O ATOM 143 OD2 ASP A 8 -0.333 3.851 5.010 1.00 0.00 O ATOM 0 HA ASP A 8 -1.345 4.611 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.670 5.790 4.246 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.737 4.048 4.427 1.00 0.00 H new ATOM 148 N CYS A 9 -2.896 2.410 2.892 1.00 0.00 N ATOM 149 CA CYS A 9 -3.595 1.145 2.719 1.00 0.00 C ATOM 150 C CYS A 9 -4.743 1.016 3.710 1.00 0.00 C ATOM 151 O CYS A 9 -5.832 0.579 3.356 1.00 0.00 O ATOM 152 CB CYS A 9 -2.630 -0.026 2.901 1.00 0.00 C ATOM 153 SG CYS A 9 -3.333 -1.639 2.433 1.00 0.00 S ATOM 0 H CYS A 9 -2.217 2.415 3.653 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.001 1.124 1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.736 0.157 2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.315 -0.066 3.944 1.00 0.00 H new ATOM 158 N GLU A 10 -4.489 1.397 4.954 1.00 0.00 N ATOM 159 CA GLU A 10 -5.505 1.313 5.994 1.00 0.00 C ATOM 160 C GLU A 10 -6.688 2.225 5.682 1.00 0.00 C ATOM 161 O GLU A 10 -7.827 1.928 6.044 1.00 0.00 O ATOM 162 CB GLU A 10 -4.901 1.680 7.349 1.00 0.00 C ATOM 163 CG GLU A 10 -5.097 0.611 8.413 1.00 0.00 C ATOM 164 CD GLU A 10 -5.740 1.155 9.674 1.00 0.00 C ATOM 165 OE1 GLU A 10 -5.087 1.956 10.375 1.00 0.00 O ATOM 166 OE2 GLU A 10 -6.897 0.780 9.960 1.00 0.00 O ATOM 0 H GLU A 10 -3.591 1.766 5.267 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.869 0.286 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.834 1.865 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.347 2.612 7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.717 -0.189 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.132 0.171 8.663 1.00 0.00 H new ATOM 173 N SER A 11 -6.411 3.332 5.005 1.00 0.00 N ATOM 174 CA SER A 11 -7.451 4.288 4.644 1.00 0.00 C ATOM 175 C SER A 11 -8.367 3.714 3.570 1.00 0.00 C ATOM 176 O SER A 11 -9.491 4.178 3.385 1.00 0.00 O ATOM 177 CB SER A 11 -6.825 5.594 4.152 1.00 0.00 C ATOM 178 OG SER A 11 -5.526 5.373 3.629 1.00 0.00 O ATOM 0 H SER A 11 -5.474 3.591 4.694 1.00 0.00 H new ATOM 0 HA SER A 11 -8.047 4.492 5.534 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.459 6.038 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.773 6.308 4.974 1.00 0.00 H new ATOM 0 HG SER A 11 -5.149 6.223 3.320 1.00 0.00 H new ATOM 184 N ILE A 12 -7.875 2.702 2.864 1.00 0.00 N ATOM 185 CA ILE A 12 -8.644 2.064 1.809 1.00 0.00 C ATOM 186 C ILE A 12 -9.274 0.765 2.299 1.00 0.00 C ATOM 187 O ILE A 12 -9.984 0.088 1.556 1.00 0.00 O ATOM 188 CB ILE A 12 -7.757 1.756 0.594 1.00 0.00 C ATOM 189 CG1 ILE A 12 -6.416 1.177 1.042 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.547 3.010 -0.241 1.00 0.00 C ATOM 191 CD1 ILE A 12 -5.683 0.431 -0.052 1.00 0.00 C ATOM 0 H ILE A 12 -6.945 2.307 3.006 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.431 2.760 1.518 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.261 1.012 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.783 1.987 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.583 0.502 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.916 2.775 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.511 3.380 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.063 3.775 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.740 0.048 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.296 -0.400 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.484 1.107 -0.883 1.00 0.00 H new ATOM 203 N ASN A 13 -9.004 0.426 3.552 1.00 0.00 N ATOM 204 CA ASN A 13 -9.537 -0.795 4.147 1.00 0.00 C ATOM 205 C ASN A 13 -8.707 -2.003 3.728 1.00 0.00 C ATOM 206 O ASN A 13 -9.237 -3.092 3.510 1.00 0.00 O ATOM 207 CB ASN A 13 -10.996 -0.995 3.735 1.00 0.00 C ATOM 208 CG ASN A 13 -11.619 -2.213 4.388 1.00 0.00 C ATOM 209 OD1 ASN A 13 -11.580 -3.343 3.692 1.00 0.00 O flip ATOM 210 ND2 ASN A 13 -12.132 -2.139 5.506 1.00 0.00 N flip ATOM 0 H ASN A 13 -8.419 0.979 4.178 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.487 -0.697 5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.571 -0.109 4.003 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -11.054 -1.097 2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.140 -1.250 6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.549 -2.967 5.932 1.00 0.00 H new ATOM 217 N GLY A 14 -7.399 -1.797 3.617 1.00 0.00 N ATOM 218 CA GLY A 14 -6.504 -2.868 3.223 1.00 0.00 C ATOM 219 C GLY A 14 -5.517 -3.227 4.316 1.00 0.00 C ATOM 220 O GLY A 14 -5.746 -2.934 5.490 1.00 0.00 O ATOM 0 H GLY A 14 -6.942 -0.903 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.089 -3.750 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.958 -2.571 2.327 1.00 0.00 H new ATOM 224 N VAL A 15 -4.415 -3.863 3.931 1.00 0.00 N ATOM 225 CA VAL A 15 -3.389 -4.261 4.887 1.00 0.00 C ATOM 226 C VAL A 15 -2.016 -3.762 4.460 1.00 0.00 C ATOM 227 O VAL A 15 -1.817 -3.367 3.312 1.00 0.00 O ATOM 228 CB VAL A 15 -3.341 -5.790 5.058 1.00 0.00 C ATOM 229 CG1 VAL A 15 -3.099 -6.472 3.720 1.00 0.00 C ATOM 230 CG2 VAL A 15 -2.271 -6.182 6.065 1.00 0.00 C ATOM 0 H VAL A 15 -4.210 -4.114 2.964 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.654 -3.807 5.842 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.306 -6.123 5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.068 -7.552 3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.906 -6.219 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.149 -6.134 3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.252 -7.267 6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.298 -5.835 5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.494 -5.726 7.029 1.00 0.00 H new ATOM 240 N CYS A 16 -1.071 -3.777 5.392 1.00 0.00 N ATOM 241 CA CYS A 16 0.282 -3.322 5.105 1.00 0.00 C ATOM 242 C CYS A 16 1.307 -4.403 5.426 1.00 0.00 C ATOM 243 O CYS A 16 1.619 -4.652 6.590 1.00 0.00 O ATOM 244 CB CYS A 16 0.598 -2.053 5.898 1.00 0.00 C ATOM 245 SG CYS A 16 0.599 -0.534 4.895 1.00 0.00 S ATOM 0 H CYS A 16 -1.216 -4.098 6.349 1.00 0.00 H new ATOM 0 HA CYS A 16 0.340 -3.101 4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.133 -1.946 6.700 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.574 -2.165 6.370 1.00 0.00 H new ATOM 250 N ARG A 17 1.831 -5.041 4.385 1.00 0.00 N ATOM 251 CA ARG A 17 2.826 -6.093 4.553 1.00 0.00 C ATOM 252 C ARG A 17 4.171 -5.658 3.982 1.00 0.00 C ATOM 253 O ARG A 17 4.476 -4.466 3.931 1.00 0.00 O ATOM 254 CB ARG A 17 2.360 -7.380 3.869 1.00 0.00 C ATOM 255 CG ARG A 17 1.944 -8.470 4.842 1.00 0.00 C ATOM 256 CD ARG A 17 0.559 -9.006 4.521 1.00 0.00 C ATOM 257 NE ARG A 17 -0.429 -8.602 5.519 1.00 0.00 N ATOM 258 CZ ARG A 17 -1.515 -9.311 5.808 1.00 0.00 C ATOM 259 NH1 ARG A 17 -1.751 -10.454 5.178 1.00 0.00 N ATOM 260 NH2 ARG A 17 -2.366 -8.878 6.728 1.00 0.00 N ATOM 0 H ARG A 17 1.583 -4.847 3.415 1.00 0.00 H new ATOM 0 HA ARG A 17 2.945 -6.282 5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.520 -7.150 3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.164 -7.757 3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.667 -9.285 4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.956 -8.076 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.250 -8.647 3.539 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.595 -10.094 4.466 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.277 -7.728 6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.098 -10.790 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.585 -10.997 5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.187 -8.000 7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.199 -9.423 6.949 1.00 0.00 H new ATOM 274 N HIS A 18 4.973 -6.626 3.554 1.00 0.00 N ATOM 275 CA HIS A 18 6.281 -6.337 2.985 1.00 0.00 C ATOM 276 C HIS A 18 6.186 -6.152 1.477 1.00 0.00 C ATOM 277 O HIS A 18 5.381 -6.801 0.809 1.00 0.00 O ATOM 278 CB HIS A 18 7.264 -7.463 3.309 1.00 0.00 C ATOM 279 CG HIS A 18 8.470 -7.000 4.065 1.00 0.00 C ATOM 280 ND1 HIS A 18 8.599 -6.078 5.047 1.00 0.00 N flip ATOM 281 CD2 HIS A 18 9.737 -7.496 3.839 1.00 0.00 C flip ATOM 282 CE1 HIS A 18 9.927 -6.032 5.392 1.00 0.00 C flip ATOM 283 NE2 HIS A 18 10.592 -6.898 4.649 1.00 0.00 N flip ATOM 0 H HIS A 18 4.739 -7.618 3.591 1.00 0.00 H new ATOM 0 HA HIS A 18 6.644 -5.409 3.427 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.750 -8.227 3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.585 -7.933 2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.990 -8.255 3.113 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.358 -5.392 6.148 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.596 -7.075 4.693 1.00 0.00 H new ATOM 292 N LYS A 19 7.017 -5.266 0.945 1.00 0.00 N ATOM 293 CA LYS A 19 7.033 -4.996 -0.487 1.00 0.00 C ATOM 294 C LYS A 19 7.555 -6.203 -1.257 1.00 0.00 C ATOM 295 O LYS A 19 7.567 -6.211 -2.488 1.00 0.00 O ATOM 296 CB LYS A 19 7.897 -3.770 -0.789 1.00 0.00 C ATOM 297 CG LYS A 19 8.825 -3.386 0.350 1.00 0.00 C ATOM 298 CD LYS A 19 10.100 -2.737 -0.164 1.00 0.00 C ATOM 299 CE LYS A 19 10.952 -3.725 -0.946 1.00 0.00 C ATOM 300 NZ LYS A 19 12.286 -3.928 -0.317 1.00 0.00 N ATOM 0 H LYS A 19 7.690 -4.721 1.484 1.00 0.00 H new ATOM 0 HA LYS A 19 6.010 -4.795 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.492 -3.966 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.247 -2.925 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.312 -2.699 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.076 -4.273 0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.847 -1.889 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.674 -2.345 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.432 -4.681 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.083 -3.364 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.836 -4.608 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.793 -3.021 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.163 -4.297 0.647 1.00 0.00 H new ATOM 314 N ASP A 20 7.982 -7.223 -0.521 1.00 0.00 N ATOM 315 CA ASP A 20 8.503 -8.441 -1.130 1.00 0.00 C ATOM 316 C ASP A 20 7.774 -9.668 -0.593 1.00 0.00 C ATOM 317 O ASP A 20 8.319 -10.771 -0.581 1.00 0.00 O ATOM 318 CB ASP A 20 10.004 -8.568 -0.867 1.00 0.00 C ATOM 319 CG ASP A 20 10.811 -8.655 -2.147 1.00 0.00 C ATOM 320 OD1 ASP A 20 10.204 -8.873 -3.218 1.00 0.00 O ATOM 321 OD2 ASP A 20 12.049 -8.505 -2.081 1.00 0.00 O ATOM 0 H ASP A 20 7.978 -7.230 0.499 1.00 0.00 H new ATOM 0 HA ASP A 20 8.336 -8.381 -2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.342 -7.710 -0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.190 -9.456 -0.263 1.00 0.00 H new ATOM 326 N THR A 21 6.536 -9.467 -0.151 1.00 0.00 N ATOM 327 CA THR A 21 5.731 -10.555 0.386 1.00 0.00 C ATOM 328 C THR A 21 5.860 -11.796 -0.486 1.00 0.00 C ATOM 329 O THR A 21 6.904 -12.449 -0.504 1.00 0.00 O ATOM 330 CB THR A 21 4.264 -10.134 0.485 1.00 0.00 C ATOM 331 OG1 THR A 21 4.155 -8.733 0.661 1.00 0.00 O ATOM 332 CG2 THR A 21 3.526 -10.798 1.627 1.00 0.00 C ATOM 0 H THR A 21 6.070 -8.560 -0.155 1.00 0.00 H new ATOM 0 HA THR A 21 6.097 -10.791 1.385 1.00 0.00 H new ATOM 0 HB THR A 21 3.809 -10.451 -0.453 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.910 -8.411 1.197 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.491 -10.455 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.548 -11.880 1.495 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.006 -10.538 2.570 1.00 0.00 H new ATOM 340 N VAL A 22 4.793 -12.119 -1.206 1.00 0.00 N ATOM 341 CA VAL A 22 4.793 -13.284 -2.076 1.00 0.00 C ATOM 342 C VAL A 22 3.478 -13.415 -2.833 1.00 0.00 C ATOM 343 O VAL A 22 3.443 -13.324 -4.061 1.00 0.00 O ATOM 344 CB VAL A 22 5.054 -14.565 -1.263 1.00 0.00 C ATOM 345 CG1 VAL A 22 3.857 -15.507 -1.303 1.00 0.00 C ATOM 346 CG2 VAL A 22 6.303 -15.262 -1.766 1.00 0.00 C ATOM 0 H VAL A 22 3.920 -11.591 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 22 5.594 -13.149 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 22 5.208 -14.277 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.077 -16.400 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.985 -15.005 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.651 -15.790 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.475 -16.166 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.174 -15.527 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.159 -14.595 -1.663 1.00 0.00 H new ATOM 356 N ASN A 23 2.404 -13.644 -2.093 1.00 0.00 N ATOM 357 CA ASN A 23 1.087 -13.806 -2.687 1.00 0.00 C ATOM 358 C ASN A 23 0.059 -12.924 -1.985 1.00 0.00 C ATOM 359 O ASN A 23 -1.108 -13.293 -1.860 1.00 0.00 O ATOM 360 CB ASN A 23 0.667 -15.272 -2.609 1.00 0.00 C ATOM 361 CG ASN A 23 0.155 -15.801 -3.933 1.00 0.00 C ATOM 362 OD1 ASN A 23 -1.011 -15.616 -4.281 1.00 0.00 O ATOM 363 ND2 ASN A 23 1.031 -16.466 -4.678 1.00 0.00 N ATOM 0 H ASN A 23 2.420 -13.722 -1.076 1.00 0.00 H new ATOM 0 HA ASN A 23 1.136 -13.499 -3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.517 -15.873 -2.286 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.109 -15.384 -1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.747 -16.848 -5.580 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.988 -16.594 -4.348 1.00 0.00 H new ATOM 370 N CYS A 24 0.505 -11.759 -1.526 1.00 0.00 N ATOM 371 CA CYS A 24 -0.373 -10.823 -0.835 1.00 0.00 C ATOM 372 C CYS A 24 -0.689 -9.621 -1.720 1.00 0.00 C ATOM 373 O CYS A 24 -0.301 -8.494 -1.411 1.00 0.00 O ATOM 374 CB CYS A 24 0.278 -10.353 0.468 1.00 0.00 C ATOM 375 SG CYS A 24 -0.904 -9.767 1.725 1.00 0.00 S ATOM 0 H CYS A 24 1.470 -11.441 -1.620 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.306 -11.338 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.860 -11.174 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.979 -9.549 0.242 1.00 0.00 H new ATOM 380 N ARG A 25 -1.394 -9.869 -2.819 1.00 0.00 N ATOM 381 CA ARG A 25 -1.760 -8.806 -3.747 1.00 0.00 C ATOM 382 C ARG A 25 -1.542 -7.436 -3.113 1.00 0.00 C ATOM 383 O ARG A 25 -1.960 -7.192 -1.981 1.00 0.00 O ATOM 384 CB ARG A 25 -3.219 -8.957 -4.181 1.00 0.00 C ATOM 385 CG ARG A 25 -3.434 -8.755 -5.672 1.00 0.00 C ATOM 386 CD ARG A 25 -4.276 -9.871 -6.270 1.00 0.00 C ATOM 387 NE ARG A 25 -3.979 -11.165 -5.664 1.00 0.00 N ATOM 388 CZ ARG A 25 -4.737 -12.244 -5.827 1.00 0.00 C ATOM 389 NH1 ARG A 25 -5.830 -12.183 -6.575 1.00 0.00 N ATOM 390 NH2 ARG A 25 -4.401 -13.387 -5.243 1.00 0.00 N ATOM 0 H ARG A 25 -1.723 -10.796 -3.088 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.120 -8.886 -4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.571 -9.950 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.828 -8.238 -3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.924 -7.796 -5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.469 -8.715 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.333 -9.641 -6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.097 -9.924 -7.344 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.144 -11.245 -5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.091 -11.306 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.410 -13.013 -6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.560 -13.438 -4.668 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.984 -14.215 -5.369 1.00 0.00 H new ATOM 404 N GLU A 26 -0.880 -6.547 -3.845 1.00 0.00 N ATOM 405 CA GLU A 26 -0.602 -5.205 -3.350 1.00 0.00 C ATOM 406 C GLU A 26 -1.591 -4.193 -3.919 1.00 0.00 C ATOM 407 O GLU A 26 -2.179 -4.409 -4.979 1.00 0.00 O ATOM 408 CB GLU A 26 0.829 -4.793 -3.702 1.00 0.00 C ATOM 409 CG GLU A 26 0.985 -3.305 -3.968 1.00 0.00 C ATOM 410 CD GLU A 26 2.000 -3.011 -5.057 1.00 0.00 C ATOM 411 OE1 GLU A 26 1.789 -3.464 -6.202 1.00 0.00 O ATOM 412 OE2 GLU A 26 3.003 -2.327 -4.764 1.00 0.00 O ATOM 0 H GLU A 26 -0.526 -6.732 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.712 -5.219 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.492 -5.079 -2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.151 -5.347 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.020 -2.887 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.289 -2.805 -3.048 1.00 0.00 H new ATOM 419 N ILE A 27 -1.769 -3.085 -3.206 1.00 0.00 N ATOM 420 CA ILE A 27 -2.684 -2.035 -3.634 1.00 0.00 C ATOM 421 C ILE A 27 -1.924 -0.776 -4.037 1.00 0.00 C ATOM 422 O ILE A 27 -1.770 0.150 -3.242 1.00 0.00 O ATOM 423 CB ILE A 27 -3.691 -1.679 -2.524 1.00 0.00 C ATOM 424 CG1 ILE A 27 -4.894 -2.622 -2.573 1.00 0.00 C ATOM 425 CG2 ILE A 27 -4.141 -0.234 -2.660 1.00 0.00 C ATOM 426 CD1 ILE A 27 -5.555 -2.828 -1.227 1.00 0.00 C ATOM 0 H ILE A 27 -1.289 -2.892 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.227 -2.421 -4.496 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.199 -1.797 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.629 -2.224 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.573 -3.588 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.852 0.002 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.277 0.425 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.617 -0.091 -3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.400 -3.508 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.834 -3.255 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.907 -1.870 -0.844 1.00 0.00 H new ATOM 438 N PHE A 28 -1.452 -0.749 -5.278 1.00 0.00 N ATOM 439 CA PHE A 28 -0.709 0.396 -5.792 1.00 0.00 C ATOM 440 C PHE A 28 -1.344 1.705 -5.337 1.00 0.00 C ATOM 441 O PHE A 28 -0.819 2.400 -4.468 1.00 0.00 O ATOM 442 CB PHE A 28 -0.671 0.351 -7.321 1.00 0.00 C ATOM 443 CG PHE A 28 -0.925 -1.015 -7.889 1.00 0.00 C ATOM 444 CD1 PHE A 28 -0.070 -2.068 -7.609 1.00 0.00 C ATOM 445 CD2 PHE A 28 -2.023 -1.246 -8.703 1.00 0.00 C ATOM 446 CE1 PHE A 28 -0.303 -3.327 -8.130 1.00 0.00 C ATOM 447 CE2 PHE A 28 -2.262 -2.502 -9.227 1.00 0.00 C ATOM 448 CZ PHE A 28 -1.402 -3.544 -8.941 1.00 0.00 C ATOM 0 H PHE A 28 -1.571 -1.509 -5.948 1.00 0.00 H new ATOM 0 HA PHE A 28 0.307 0.346 -5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.415 1.043 -7.715 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.303 0.702 -7.662 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.789 -1.903 -6.976 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.699 -0.435 -8.930 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.372 -4.139 -7.904 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.121 -2.669 -9.860 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.587 -4.526 -9.350 1.00 0.00 H new ATOM 458 N LEU A 29 -2.480 2.027 -5.941 1.00 0.00 N ATOM 459 CA LEU A 29 -3.213 3.247 -5.624 1.00 0.00 C ATOM 460 C LEU A 29 -2.939 3.721 -4.201 1.00 0.00 C ATOM 461 O LEU A 29 -2.737 4.912 -3.961 1.00 0.00 O ATOM 462 CB LEU A 29 -4.708 3.003 -5.806 1.00 0.00 C ATOM 463 CG LEU A 29 -5.147 2.766 -7.250 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.842 1.419 -7.381 1.00 0.00 C ATOM 465 CD2 LEU A 29 -6.061 3.887 -7.721 1.00 0.00 C ATOM 0 H LEU A 29 -2.918 1.453 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.874 4.029 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.997 2.139 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.253 3.861 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.260 2.758 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.148 1.267 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.156 0.625 -7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.721 1.399 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.363 3.701 -8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.945 3.927 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.530 4.837 -7.665 1.00 0.00 H new ATOM 477 N ALA A 30 -2.948 2.787 -3.262 1.00 0.00 N ATOM 478 CA ALA A 30 -2.717 3.110 -1.859 1.00 0.00 C ATOM 479 C ALA A 30 -1.275 2.828 -1.451 1.00 0.00 C ATOM 480 O ALA A 30 -0.554 2.101 -2.134 1.00 0.00 O ATOM 481 CB ALA A 30 -3.675 2.322 -0.979 1.00 0.00 C ATOM 0 H ALA A 30 -3.113 1.797 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.898 4.176 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.495 2.570 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.702 2.576 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.515 1.255 -1.132 1.00 0.00 H new ATOM 487 N ASP A 31 -0.861 3.415 -0.331 1.00 0.00 N ATOM 488 CA ASP A 31 0.495 3.233 0.173 1.00 0.00 C ATOM 489 C ASP A 31 0.481 2.738 1.611 1.00 0.00 C ATOM 490 O ASP A 31 -0.581 2.558 2.206 1.00 0.00 O ATOM 491 CB ASP A 31 1.275 4.545 0.079 1.00 0.00 C ATOM 492 CG ASP A 31 1.133 5.207 -1.277 1.00 0.00 C ATOM 493 OD1 ASP A 31 0.014 5.653 -1.606 1.00 0.00 O ATOM 494 OD2 ASP A 31 2.142 5.278 -2.011 1.00 0.00 O ATOM 0 H ASP A 31 -1.446 4.021 0.244 1.00 0.00 H new ATOM 0 HA ASP A 31 0.986 2.480 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.925 5.229 0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.329 4.352 0.277 1.00 0.00 H new ATOM 499 N CYS A 32 1.667 2.525 2.166 1.00 0.00 N ATOM 500 CA CYS A 32 1.788 2.057 3.533 1.00 0.00 C ATOM 501 C CYS A 32 2.081 3.223 4.461 1.00 0.00 C ATOM 502 O CYS A 32 1.772 4.373 4.147 1.00 0.00 O ATOM 503 CB CYS A 32 2.892 1.005 3.646 1.00 0.00 C ATOM 504 SG CYS A 32 2.277 -0.705 3.765 1.00 0.00 S ATOM 0 H CYS A 32 2.556 2.670 1.688 1.00 0.00 H new ATOM 0 HA CYS A 32 0.843 1.600 3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.546 1.085 2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.499 1.224 4.524 1.00 0.00 H new ATOM 509 N TYR A 33 2.668 2.924 5.606 1.00 0.00 N ATOM 510 CA TYR A 33 2.987 3.944 6.579 1.00 0.00 C ATOM 511 C TYR A 33 4.355 3.692 7.191 1.00 0.00 C ATOM 512 O TYR A 33 4.871 4.504 7.960 1.00 0.00 O ATOM 513 CB TYR A 33 1.924 3.944 7.657 1.00 0.00 C ATOM 514 CG TYR A 33 0.843 4.976 7.434 1.00 0.00 C ATOM 515 CD1 TYR A 33 1.079 6.097 6.646 1.00 0.00 C ATOM 516 CD2 TYR A 33 -0.413 4.830 8.005 1.00 0.00 C ATOM 517 CE1 TYR A 33 0.093 7.043 6.438 1.00 0.00 C ATOM 518 CE2 TYR A 33 -1.405 5.770 7.802 1.00 0.00 C ATOM 519 CZ TYR A 33 -1.147 6.875 7.018 1.00 0.00 C ATOM 520 OH TYR A 33 -2.131 7.814 6.813 1.00 0.00 O ATOM 0 H TYR A 33 2.933 1.978 5.882 1.00 0.00 H new ATOM 0 HA TYR A 33 3.012 4.916 6.087 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.468 2.955 7.707 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.396 4.126 8.622 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.048 6.231 6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.619 3.966 8.619 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.292 7.909 5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.377 5.640 8.255 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.944 7.545 7.290 1.00 0.00 H new ATOM 530 N ASN A 34 4.928 2.554 6.840 1.00 0.00 N ATOM 531 CA ASN A 34 6.232 2.156 7.337 1.00 0.00 C ATOM 532 C ASN A 34 7.340 2.684 6.432 1.00 0.00 C ATOM 533 O ASN A 34 7.493 3.893 6.261 1.00 0.00 O ATOM 534 CB ASN A 34 6.301 0.633 7.404 1.00 0.00 C ATOM 535 CG ASN A 34 5.787 0.084 8.718 1.00 0.00 C ATOM 536 OD1 ASN A 34 4.703 -0.677 8.651 1.00 0.00 O flip ATOM 537 ND2 ASN A 34 6.357 0.340 9.780 1.00 0.00 N flip ATOM 0 H ASN A 34 4.502 1.881 6.203 1.00 0.00 H new ATOM 0 HA ASN A 34 6.373 2.577 8.332 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.719 0.210 6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.333 0.313 7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.189 0.931 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.997 -0.039 10.656 1.00 0.00 H new ATOM 544 N ASP A 35 8.105 1.768 5.850 1.00 0.00 N ATOM 545 CA ASP A 35 9.195 2.136 4.956 1.00 0.00 C ATOM 546 C ASP A 35 9.417 1.054 3.907 1.00 0.00 C ATOM 547 O ASP A 35 9.819 1.338 2.779 1.00 0.00 O ATOM 548 CB ASP A 35 10.482 2.370 5.750 1.00 0.00 C ATOM 549 CG ASP A 35 10.900 3.827 5.756 1.00 0.00 C ATOM 550 OD1 ASP A 35 10.142 4.664 5.222 1.00 0.00 O ATOM 551 OD2 ASP A 35 11.986 4.131 6.294 1.00 0.00 O ATOM 0 H ASP A 35 7.990 0.763 5.982 1.00 0.00 H new ATOM 0 HA ASP A 35 8.922 3.061 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.339 2.031 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.283 1.767 5.324 1.00 0.00 H new ATOM 556 N GLY A 36 9.142 -0.187 4.288 1.00 0.00 N ATOM 557 CA GLY A 36 9.306 -1.299 3.375 1.00 0.00 C ATOM 558 C GLY A 36 8.041 -2.123 3.252 1.00 0.00 C ATOM 559 O GLY A 36 8.067 -3.243 2.742 1.00 0.00 O ATOM 0 H GLY A 36 8.807 -0.443 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.590 -0.923 2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.121 -1.935 3.721 1.00 0.00 H new ATOM 563 N GLN A 37 6.931 -1.566 3.725 1.00 0.00 N ATOM 564 CA GLN A 37 5.646 -2.254 3.671 1.00 0.00 C ATOM 565 C GLN A 37 4.719 -1.606 2.649 1.00 0.00 C ATOM 566 O GLN A 37 4.701 -0.385 2.498 1.00 0.00 O ATOM 567 CB GLN A 37 4.985 -2.251 5.051 1.00 0.00 C ATOM 568 CG GLN A 37 5.847 -2.864 6.141 1.00 0.00 C ATOM 569 CD GLN A 37 5.161 -4.015 6.851 1.00 0.00 C ATOM 570 OE1 GLN A 37 5.434 -5.183 6.574 1.00 0.00 O ATOM 571 NE2 GLN A 37 4.264 -3.689 7.774 1.00 0.00 N ATOM 0 H GLN A 37 6.895 -0.640 4.150 1.00 0.00 H new ATOM 0 HA GLN A 37 5.828 -3.284 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.742 -1.225 5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.043 -2.797 4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.781 -3.217 5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.106 -2.095 6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.069 -2.707 7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.770 -4.420 8.286 1.00 0.00 H new ATOM 580 N LYS A 38 3.947 -2.433 1.954 1.00 0.00 N ATOM 581 CA LYS A 38 3.011 -1.946 0.948 1.00 0.00 C ATOM 582 C LYS A 38 1.585 -2.362 1.293 1.00 0.00 C ATOM 583 O LYS A 38 1.332 -2.911 2.365 1.00 0.00 O ATOM 584 CB LYS A 38 3.391 -2.479 -0.434 1.00 0.00 C ATOM 585 CG LYS A 38 4.083 -3.831 -0.395 1.00 0.00 C ATOM 586 CD LYS A 38 3.271 -4.892 -1.118 1.00 0.00 C ATOM 587 CE LYS A 38 3.889 -5.251 -2.459 1.00 0.00 C ATOM 588 NZ LYS A 38 4.037 -6.723 -2.626 1.00 0.00 N ATOM 0 H LYS A 38 3.951 -3.446 2.069 1.00 0.00 H new ATOM 0 HA LYS A 38 3.062 -0.857 0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.491 -2.558 -1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.046 -1.759 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.069 -3.750 -0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.237 -4.132 0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.203 -5.785 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.254 -4.532 -1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.268 -4.855 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.866 -4.776 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.462 -6.926 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.650 -7.098 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.102 -7.175 -2.567 1.00 0.00 H new ATOM 602 N CYS A 39 0.657 -2.093 0.382 1.00 0.00 N ATOM 603 CA CYS A 39 -0.742 -2.438 0.596 1.00 0.00 C ATOM 604 C CYS A 39 -1.059 -3.826 0.048 1.00 0.00 C ATOM 605 O CYS A 39 -0.463 -4.268 -0.932 1.00 0.00 O ATOM 606 CB CYS A 39 -1.651 -1.404 -0.067 1.00 0.00 C ATOM 607 SG CYS A 39 -3.403 -1.554 0.407 1.00 0.00 S ATOM 0 H CYS A 39 0.848 -1.638 -0.510 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.922 -2.442 1.671 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.299 -0.405 0.191 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.567 -1.501 -1.149 1.00 0.00 H new ATOM 612 N CYS A 40 -2.007 -4.503 0.688 1.00 0.00 N ATOM 613 CA CYS A 40 -2.418 -5.835 0.264 1.00 0.00 C ATOM 614 C CYS A 40 -3.929 -5.994 0.390 1.00 0.00 C ATOM 615 O CYS A 40 -4.563 -5.343 1.222 1.00 0.00 O ATOM 616 CB CYS A 40 -1.710 -6.907 1.093 1.00 0.00 C ATOM 617 SG CYS A 40 -2.198 -8.611 0.671 1.00 0.00 S ATOM 0 H CYS A 40 -2.506 -4.149 1.504 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.137 -5.959 -0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.633 -6.804 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.917 -6.731 2.149 1.00 0.00 H new ATOM 622 N ARG A 41 -4.504 -6.859 -0.438 1.00 0.00 N ATOM 623 CA ARG A 41 -5.943 -7.096 -0.410 1.00 0.00 C ATOM 624 C ARG A 41 -6.334 -7.896 0.827 1.00 0.00 C ATOM 625 O ARG A 41 -6.999 -8.927 0.729 1.00 0.00 O ATOM 626 CB ARG A 41 -6.389 -7.832 -1.674 1.00 0.00 C ATOM 627 CG ARG A 41 -6.653 -6.911 -2.853 1.00 0.00 C ATOM 628 CD ARG A 41 -5.662 -7.150 -3.981 1.00 0.00 C ATOM 629 NE ARG A 41 -5.494 -5.969 -4.822 1.00 0.00 N ATOM 630 CZ ARG A 41 -6.182 -5.757 -5.939 1.00 0.00 C ATOM 631 NH1 ARG A 41 -7.080 -6.644 -6.345 1.00 0.00 N ATOM 632 NH2 ARG A 41 -5.971 -4.658 -6.652 1.00 0.00 N ATOM 0 H ARG A 41 -3.998 -7.406 -1.135 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.445 -6.129 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.622 -8.555 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.295 -8.397 -1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.667 -7.069 -3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.590 -5.873 -2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.698 -7.436 -3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.004 -7.985 -4.593 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.811 -5.268 -4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.243 -7.490 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.607 -6.480 -7.203 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.280 -3.974 -6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.500 -4.497 -7.509 1.00 0.00 H new ATOM 646 N LYS A 42 -5.912 -7.412 1.991 1.00 0.00 N ATOM 647 CA LYS A 42 -6.213 -8.078 3.251 1.00 0.00 C ATOM 648 C LYS A 42 -6.112 -9.593 3.105 1.00 0.00 C ATOM 649 O LYS A 42 -7.054 -10.197 2.553 1.00 0.00 O ATOM 650 CB LYS A 42 -7.612 -7.691 3.736 1.00 0.00 C ATOM 651 CG LYS A 42 -7.604 -6.807 4.973 1.00 0.00 C ATOM 652 CD LYS A 42 -6.396 -5.884 4.989 1.00 0.00 C ATOM 653 CE LYS A 42 -5.997 -5.514 6.409 1.00 0.00 C ATOM 654 NZ LYS A 42 -7.111 -5.730 7.373 1.00 0.00 N ATOM 655 OXT LYS A 42 -5.090 -10.161 3.544 1.00 0.00 O ATOM 0 H LYS A 42 -5.360 -6.560 2.087 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.479 -7.754 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.136 -7.173 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.177 -8.598 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.518 -6.213 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.599 -7.430 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.558 -6.371 4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.621 -4.979 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.135 -6.109 6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.689 -4.469 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.883 -5.268 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.987 -5.324 6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.242 -6.750 7.529 1.00 0.00 H new