USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=8 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 34 ASN :FLIP amide:sc= -0.639 F(o=-5.2,f=-3.4) USER MOD Set 1.2: A 37 GLN : amide:sc= -2.79! K(o=-3.4!,f=-5.2) USER MOD Set 2.1: A 13 ASN :FLIP amide:sc= -1.76! C(o=-15!,f=-1.8!) USER MOD Set 2.2: A 42 LYS NZ :NH3+ -162:sc= -0.0679! (180deg=-1.39!) USER MOD Single : A 11 SER OG : rot 170:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.0048) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= -0.932 (180deg=-1.04) USER MOD Single : A 21 THR OG1 : rot 68:sc= -1.06! USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 99:sc= 1.22 USER MOD Single : A 38 LYS NZ :NH3+ -121:sc= 0.00917 (180deg=-0.499) USER MOD ----------------------------------------------------------------- ATOM 136 N ASP A 8 -2.881 6.278 1.867 1.00 0.00 N ATOM 137 CA ASP A 8 -2.560 5.218 2.805 1.00 0.00 C ATOM 138 C ASP A 8 -3.200 3.899 2.383 1.00 0.00 C ATOM 139 O ASP A 8 -3.977 3.850 1.430 1.00 0.00 O ATOM 140 CB ASP A 8 -3.041 5.614 4.197 1.00 0.00 C ATOM 141 CG ASP A 8 -3.719 6.970 4.209 1.00 0.00 C ATOM 142 OD1 ASP A 8 -4.890 7.052 3.782 1.00 0.00 O ATOM 143 OD2 ASP A 8 -3.078 7.949 4.645 1.00 0.00 O ATOM 0 HA ASP A 8 -1.479 5.076 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.736 4.860 4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.193 5.629 4.881 1.00 0.00 H new ATOM 148 N CYS A 9 -2.866 2.832 3.101 1.00 0.00 N ATOM 149 CA CYS A 9 -3.408 1.511 2.803 1.00 0.00 C ATOM 150 C CYS A 9 -4.552 1.166 3.748 1.00 0.00 C ATOM 151 O CYS A 9 -5.610 0.712 3.318 1.00 0.00 O ATOM 152 CB CYS A 9 -2.314 0.448 2.911 1.00 0.00 C ATOM 153 SG CYS A 9 -2.905 -1.246 2.596 1.00 0.00 S ATOM 0 H CYS A 9 -2.223 2.856 3.893 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.791 1.529 1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.520 0.684 2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.875 0.491 3.908 1.00 0.00 H new ATOM 158 N GLU A 10 -4.329 1.377 5.038 1.00 0.00 N ATOM 159 CA GLU A 10 -5.340 1.084 6.043 1.00 0.00 C ATOM 160 C GLU A 10 -6.521 2.045 5.927 1.00 0.00 C ATOM 161 O GLU A 10 -7.655 1.693 6.258 1.00 0.00 O ATOM 162 CB GLU A 10 -4.730 1.168 7.442 1.00 0.00 C ATOM 163 CG GLU A 10 -4.897 -0.105 8.257 1.00 0.00 C ATOM 164 CD GLU A 10 -3.587 -0.836 8.469 1.00 0.00 C ATOM 165 OE1 GLU A 10 -2.757 -0.350 9.266 1.00 0.00 O ATOM 166 OE2 GLU A 10 -3.389 -1.896 7.838 1.00 0.00 O ATOM 0 H GLU A 10 -3.457 1.750 5.413 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.706 0.072 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.668 1.396 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.190 1.997 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.332 0.142 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.600 -0.766 7.751 1.00 0.00 H new ATOM 173 N SER A 11 -6.251 3.257 5.452 1.00 0.00 N ATOM 174 CA SER A 11 -7.293 4.264 5.294 1.00 0.00 C ATOM 175 C SER A 11 -8.190 3.927 4.110 1.00 0.00 C ATOM 176 O SER A 11 -9.229 4.554 3.905 1.00 0.00 O ATOM 177 CB SER A 11 -6.671 5.648 5.102 1.00 0.00 C ATOM 178 OG SER A 11 -7.486 6.657 5.671 1.00 0.00 O ATOM 0 H SER A 11 -5.320 3.565 5.170 1.00 0.00 H new ATOM 0 HA SER A 11 -7.900 4.272 6.199 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.683 5.673 5.561 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.534 5.844 4.039 1.00 0.00 H new ATOM 0 HG SER A 11 -6.997 7.506 5.680 1.00 0.00 H new ATOM 184 N ILE A 12 -7.777 2.933 3.333 1.00 0.00 N ATOM 185 CA ILE A 12 -8.534 2.510 2.168 1.00 0.00 C ATOM 186 C ILE A 12 -9.162 1.140 2.389 1.00 0.00 C ATOM 187 O ILE A 12 -9.784 0.574 1.490 1.00 0.00 O ATOM 188 CB ILE A 12 -7.639 2.450 0.923 1.00 0.00 C ATOM 189 CG1 ILE A 12 -6.240 1.960 1.293 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.566 3.816 0.260 1.00 0.00 C ATOM 191 CD1 ILE A 12 -5.947 0.552 0.820 1.00 0.00 C ATOM 0 H ILE A 12 -6.919 2.405 3.492 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.322 3.247 2.013 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.075 1.744 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.502 2.639 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.124 2.002 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.928 3.759 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.567 4.131 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.151 4.539 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.937 0.271 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.662 -0.138 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.031 0.508 -0.266 1.00 0.00 H new ATOM 203 N ASN A 13 -8.993 0.613 3.594 1.00 0.00 N ATOM 204 CA ASN A 13 -9.536 -0.694 3.947 1.00 0.00 C ATOM 205 C ASN A 13 -8.636 -1.814 3.433 1.00 0.00 C ATOM 206 O ASN A 13 -9.115 -2.869 3.016 1.00 0.00 O ATOM 207 CB ASN A 13 -10.946 -0.854 3.376 1.00 0.00 C ATOM 208 CG ASN A 13 -11.595 -2.158 3.797 1.00 0.00 C ATOM 209 OD1 ASN A 13 -10.841 -2.993 4.502 1.00 0.00 O flip ATOM 210 ND2 ASN A 13 -12.760 -2.413 3.491 1.00 0.00 N flip ATOM 0 H ASN A 13 -8.482 1.072 4.348 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.582 -0.760 5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.565 -0.020 3.706 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -10.902 -0.808 2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.303 -1.742 2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.182 -3.295 3.781 1.00 0.00 H new ATOM 217 N GLY A 14 -7.330 -1.575 3.473 1.00 0.00 N ATOM 218 CA GLY A 14 -6.373 -2.568 3.017 1.00 0.00 C ATOM 219 C GLY A 14 -5.457 -3.031 4.134 1.00 0.00 C ATOM 220 O GLY A 14 -5.701 -2.736 5.303 1.00 0.00 O ATOM 0 H GLY A 14 -6.915 -0.708 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.908 -3.425 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.775 -2.150 2.208 1.00 0.00 H new ATOM 224 N VAL A 15 -4.399 -3.753 3.777 1.00 0.00 N ATOM 225 CA VAL A 15 -3.453 -4.247 4.768 1.00 0.00 C ATOM 226 C VAL A 15 -2.040 -3.771 4.459 1.00 0.00 C ATOM 227 O VAL A 15 -1.733 -3.402 3.325 1.00 0.00 O ATOM 228 CB VAL A 15 -3.461 -5.784 4.844 1.00 0.00 C ATOM 229 CG1 VAL A 15 -3.147 -6.385 3.485 1.00 0.00 C ATOM 230 CG2 VAL A 15 -2.475 -6.273 5.894 1.00 0.00 C ATOM 0 H VAL A 15 -4.177 -4.007 2.814 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.769 -3.846 5.731 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.458 -6.111 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.157 -7.473 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.897 -6.062 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.162 -6.052 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.495 -7.362 5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.471 -5.938 5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.751 -5.870 6.868 1.00 0.00 H new ATOM 240 N CYS A 16 -1.186 -3.773 5.474 1.00 0.00 N ATOM 241 CA CYS A 16 0.192 -3.334 5.307 1.00 0.00 C ATOM 242 C CYS A 16 1.170 -4.481 5.532 1.00 0.00 C ATOM 243 O CYS A 16 1.461 -4.850 6.669 1.00 0.00 O ATOM 244 CB CYS A 16 0.501 -2.186 6.269 1.00 0.00 C ATOM 245 SG CYS A 16 0.704 -0.573 5.451 1.00 0.00 S ATOM 0 H CYS A 16 -1.423 -4.073 6.420 1.00 0.00 H new ATOM 0 HA CYS A 16 0.310 -2.985 4.281 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.303 -2.112 7.001 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.412 -2.421 6.819 1.00 0.00 H new ATOM 250 N ARG A 17 1.678 -5.035 4.437 1.00 0.00 N ATOM 251 CA ARG A 17 2.630 -6.136 4.506 1.00 0.00 C ATOM 252 C ARG A 17 3.986 -5.709 3.956 1.00 0.00 C ATOM 253 O ARG A 17 4.303 -4.521 3.914 1.00 0.00 O ATOM 254 CB ARG A 17 2.104 -7.342 3.725 1.00 0.00 C ATOM 255 CG ARG A 17 2.809 -8.644 4.071 1.00 0.00 C ATOM 256 CD ARG A 17 2.024 -9.448 5.093 1.00 0.00 C ATOM 257 NE ARG A 17 1.005 -8.641 5.758 1.00 0.00 N ATOM 258 CZ ARG A 17 0.835 -8.607 7.076 1.00 0.00 C ATOM 259 NH1 ARG A 17 1.617 -9.332 7.866 1.00 0.00 N ATOM 260 NH2 ARG A 17 -0.114 -7.849 7.606 1.00 0.00 N ATOM 0 H ARG A 17 1.445 -4.739 3.489 1.00 0.00 H new ATOM 0 HA ARG A 17 2.752 -6.418 5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.037 -7.453 3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.216 -7.150 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.945 -9.237 3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.803 -8.428 4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.550 -10.297 4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.708 -9.854 5.838 1.00 0.00 H new ATOM 0 HE ARG A 17 0.389 -8.071 5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.349 -9.916 7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.486 -9.305 8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.716 -7.290 7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.242 -7.825 8.618 1.00 0.00 H new ATOM 274 N HIS A 18 4.783 -6.685 3.532 1.00 0.00 N ATOM 275 CA HIS A 18 6.102 -6.407 2.983 1.00 0.00 C ATOM 276 C HIS A 18 6.030 -6.207 1.475 1.00 0.00 C ATOM 277 O HIS A 18 5.173 -6.777 0.802 1.00 0.00 O ATOM 278 CB HIS A 18 7.065 -7.550 3.309 1.00 0.00 C ATOM 279 CG HIS A 18 8.272 -7.113 4.080 1.00 0.00 C ATOM 280 ND1 HIS A 18 9.562 -7.360 3.662 1.00 0.00 N ATOM 281 CD2 HIS A 18 8.380 -6.437 5.248 1.00 0.00 C ATOM 282 CE1 HIS A 18 10.412 -6.856 4.540 1.00 0.00 C ATOM 283 NE2 HIS A 18 9.719 -6.290 5.510 1.00 0.00 N ATOM 0 H HIS A 18 4.537 -7.674 3.559 1.00 0.00 H new ATOM 0 HA HIS A 18 6.471 -5.488 3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.534 -8.310 3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.388 -8.019 2.379 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.564 -6.080 5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.489 -6.900 4.475 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.115 -5.819 6.324 1.00 0.00 H new ATOM 292 N LYS A 19 6.939 -5.395 0.953 1.00 0.00 N ATOM 293 CA LYS A 19 6.987 -5.120 -0.477 1.00 0.00 C ATOM 294 C LYS A 19 7.560 -6.313 -1.233 1.00 0.00 C ATOM 295 O LYS A 19 7.624 -6.311 -2.463 1.00 0.00 O ATOM 296 CB LYS A 19 7.827 -3.872 -0.752 1.00 0.00 C ATOM 297 CG LYS A 19 7.870 -2.899 0.414 1.00 0.00 C ATOM 298 CD LYS A 19 7.427 -1.507 -0.004 1.00 0.00 C ATOM 299 CE LYS A 19 8.573 -0.716 -0.612 1.00 0.00 C ATOM 300 NZ LYS A 19 9.892 -1.354 -0.345 1.00 0.00 N ATOM 0 H LYS A 19 7.654 -4.914 1.499 1.00 0.00 H new ATOM 0 HA LYS A 19 5.970 -4.943 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.844 -4.176 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.426 -3.360 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.226 -3.261 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.883 -2.854 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.614 -1.584 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.035 -0.974 0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.423 -0.629 -1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.571 0.296 -0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.650 -0.766 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.032 -1.445 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.916 -2.297 -0.783 1.00 0.00 H new ATOM 314 N ASP A 20 7.972 -7.331 -0.486 1.00 0.00 N ATOM 315 CA ASP A 20 8.539 -8.537 -1.077 1.00 0.00 C ATOM 316 C ASP A 20 7.811 -9.778 -0.572 1.00 0.00 C ATOM 317 O ASP A 20 8.376 -10.872 -0.541 1.00 0.00 O ATOM 318 CB ASP A 20 10.030 -8.637 -0.753 1.00 0.00 C ATOM 319 CG ASP A 20 10.890 -8.690 -2.001 1.00 0.00 C ATOM 320 OD1 ASP A 20 11.168 -7.616 -2.576 1.00 0.00 O ATOM 321 OD2 ASP A 20 11.285 -9.805 -2.403 1.00 0.00 O ATOM 0 H ASP A 20 7.924 -7.345 0.533 1.00 0.00 H new ATOM 0 HA ASP A 20 8.415 -8.478 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.326 -7.780 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.210 -9.529 -0.153 1.00 0.00 H new ATOM 326 N THR A 21 6.554 -9.601 -0.177 1.00 0.00 N ATOM 327 CA THR A 21 5.747 -10.700 0.326 1.00 0.00 C ATOM 328 C THR A 21 5.840 -11.904 -0.600 1.00 0.00 C ATOM 329 O THR A 21 6.885 -12.545 -0.698 1.00 0.00 O ATOM 330 CB THR A 21 4.289 -10.261 0.467 1.00 0.00 C ATOM 331 OG1 THR A 21 4.212 -8.903 0.866 1.00 0.00 O ATOM 332 CG2 THR A 21 3.515 -11.079 1.474 1.00 0.00 C ATOM 0 H THR A 21 6.073 -8.702 -0.197 1.00 0.00 H new ATOM 0 HA THR A 21 6.130 -10.986 1.306 1.00 0.00 H new ATOM 0 HB THR A 21 3.844 -10.410 -0.517 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.531 -8.330 0.138 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.488 -10.716 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.515 -12.126 1.170 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.982 -10.986 2.454 1.00 0.00 H new ATOM 340 N VAL A 22 4.739 -12.210 -1.277 1.00 0.00 N ATOM 341 CA VAL A 22 4.706 -13.341 -2.188 1.00 0.00 C ATOM 342 C VAL A 22 3.387 -13.419 -2.946 1.00 0.00 C ATOM 343 O VAL A 22 3.353 -13.299 -4.170 1.00 0.00 O ATOM 344 CB VAL A 22 4.941 -14.658 -1.425 1.00 0.00 C ATOM 345 CG1 VAL A 22 3.715 -15.560 -1.473 1.00 0.00 C ATOM 346 CG2 VAL A 22 6.156 -15.374 -1.983 1.00 0.00 C ATOM 0 H VAL A 22 3.863 -11.692 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 22 5.507 -13.193 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 22 5.124 -14.413 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.918 -16.480 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.867 -15.046 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.481 -15.801 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.313 -16.304 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.995 -15.596 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.034 -14.737 -1.876 1.00 0.00 H new ATOM 356 N ASN A 23 2.308 -13.637 -2.211 1.00 0.00 N ATOM 357 CA ASN A 23 0.989 -13.753 -2.812 1.00 0.00 C ATOM 358 C ASN A 23 -0.011 -12.821 -2.137 1.00 0.00 C ATOM 359 O ASN A 23 -1.223 -13.016 -2.242 1.00 0.00 O ATOM 360 CB ASN A 23 0.508 -15.201 -2.720 1.00 0.00 C ATOM 361 CG ASN A 23 -0.043 -15.712 -4.036 1.00 0.00 C ATOM 362 OD1 ASN A 23 -1.201 -15.468 -4.375 1.00 0.00 O ATOM 363 ND2 ASN A 23 0.790 -16.425 -4.785 1.00 0.00 N ATOM 0 H ASN A 23 2.320 -13.737 -1.196 1.00 0.00 H new ATOM 0 HA ASN A 23 1.062 -13.460 -3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.336 -15.836 -2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.263 -15.277 -1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.478 -16.796 -5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.741 -16.602 -4.463 1.00 0.00 H new ATOM 370 N CYS A 24 0.500 -11.804 -1.451 1.00 0.00 N ATOM 371 CA CYS A 24 -0.355 -10.841 -0.768 1.00 0.00 C ATOM 372 C CYS A 24 -0.639 -9.640 -1.665 1.00 0.00 C ATOM 373 O CYS A 24 -0.319 -8.502 -1.320 1.00 0.00 O ATOM 374 CB CYS A 24 0.297 -10.379 0.536 1.00 0.00 C ATOM 375 SG CYS A 24 -0.878 -9.703 1.752 1.00 0.00 S ATOM 0 H CYS A 24 1.500 -11.626 -1.354 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.300 -11.331 -0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.824 -11.221 0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.045 -9.620 0.307 1.00 0.00 H new ATOM 380 N ARG A 25 -1.241 -9.908 -2.819 1.00 0.00 N ATOM 381 CA ARG A 25 -1.573 -8.858 -3.776 1.00 0.00 C ATOM 382 C ARG A 25 -1.414 -7.474 -3.157 1.00 0.00 C ATOM 383 O ARG A 25 -1.907 -7.212 -2.059 1.00 0.00 O ATOM 384 CB ARG A 25 -3.004 -9.039 -4.286 1.00 0.00 C ATOM 385 CG ARG A 25 -3.093 -9.230 -5.790 1.00 0.00 C ATOM 386 CD ARG A 25 -4.451 -9.773 -6.204 1.00 0.00 C ATOM 387 NE ARG A 25 -4.397 -11.195 -6.527 1.00 0.00 N ATOM 388 CZ ARG A 25 -5.474 -11.961 -6.663 1.00 0.00 C ATOM 389 NH1 ARG A 25 -6.684 -11.442 -6.506 1.00 0.00 N ATOM 390 NH2 ARG A 25 -5.343 -13.247 -6.958 1.00 0.00 N ATOM 0 H ARG A 25 -1.510 -10.846 -3.115 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.880 -8.938 -4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.451 -9.901 -3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.595 -8.168 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.913 -8.278 -6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.311 -9.915 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.167 -9.611 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.815 -9.218 -7.069 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.481 -11.625 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.789 -10.453 -6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.509 -12.032 -6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.414 -13.650 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.171 -13.833 -7.062 1.00 0.00 H new ATOM 404 N GLU A 26 -0.726 -6.590 -3.872 1.00 0.00 N ATOM 405 CA GLU A 26 -0.503 -5.230 -3.402 1.00 0.00 C ATOM 406 C GLU A 26 -1.473 -4.263 -4.072 1.00 0.00 C ATOM 407 O GLU A 26 -1.953 -4.518 -5.178 1.00 0.00 O ATOM 408 CB GLU A 26 0.938 -4.802 -3.683 1.00 0.00 C ATOM 409 CG GLU A 26 1.055 -3.422 -4.309 1.00 0.00 C ATOM 410 CD GLU A 26 2.245 -3.305 -5.241 1.00 0.00 C ATOM 411 OE1 GLU A 26 2.845 -4.348 -5.571 1.00 0.00 O ATOM 412 OE2 GLU A 26 2.576 -2.169 -5.641 1.00 0.00 O ATOM 0 H GLU A 26 -0.312 -6.793 -4.782 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.677 -5.207 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.500 -4.817 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.402 -5.532 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.142 -3.199 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.141 -2.675 -3.520 1.00 0.00 H new ATOM 419 N ILE A 27 -1.762 -3.155 -3.398 1.00 0.00 N ATOM 420 CA ILE A 27 -2.678 -2.157 -3.930 1.00 0.00 C ATOM 421 C ILE A 27 -1.919 -0.985 -4.547 1.00 0.00 C ATOM 422 O ILE A 27 -1.602 -0.008 -3.866 1.00 0.00 O ATOM 423 CB ILE A 27 -3.622 -1.629 -2.835 1.00 0.00 C ATOM 424 CG1 ILE A 27 -4.728 -2.646 -2.551 1.00 0.00 C ATOM 425 CG2 ILE A 27 -4.215 -0.294 -3.248 1.00 0.00 C ATOM 426 CD1 ILE A 27 -5.383 -2.462 -1.199 1.00 0.00 C ATOM 0 H ILE A 27 -1.374 -2.927 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.269 -2.646 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.048 -1.481 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.489 -2.570 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.311 -3.651 -2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.880 0.067 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.413 0.428 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.778 -0.417 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.158 -3.217 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.634 -2.567 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.830 -1.469 -1.143 1.00 0.00 H new ATOM 438 N PHE A 28 -1.635 -1.090 -5.842 1.00 0.00 N ATOM 439 CA PHE A 28 -0.914 -0.046 -6.565 1.00 0.00 C ATOM 440 C PHE A 28 -1.596 1.309 -6.411 1.00 0.00 C ATOM 441 O PHE A 28 -1.288 2.255 -7.137 1.00 0.00 O ATOM 442 CB PHE A 28 -0.827 -0.400 -8.050 1.00 0.00 C ATOM 443 CG PHE A 28 -1.316 -1.784 -8.367 1.00 0.00 C ATOM 444 CD1 PHE A 28 -0.548 -2.894 -8.054 1.00 0.00 C ATOM 445 CD2 PHE A 28 -2.545 -1.974 -8.979 1.00 0.00 C ATOM 446 CE1 PHE A 28 -0.996 -4.168 -8.346 1.00 0.00 C ATOM 447 CE2 PHE A 28 -2.999 -3.246 -9.274 1.00 0.00 C ATOM 448 CZ PHE A 28 -2.223 -4.345 -8.956 1.00 0.00 C ATOM 0 H PHE A 28 -1.895 -1.893 -6.415 1.00 0.00 H new ATOM 0 HA PHE A 28 0.088 0.019 -6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.410 0.322 -8.622 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.208 -0.305 -8.378 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.412 -2.762 -7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.155 -1.118 -9.228 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.387 -5.025 -8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.958 -3.381 -9.752 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.575 -5.340 -9.184 1.00 0.00 H new ATOM 458 N LEU A 29 -2.532 1.395 -5.476 1.00 0.00 N ATOM 459 CA LEU A 29 -3.265 2.629 -5.246 1.00 0.00 C ATOM 460 C LEU A 29 -2.983 3.194 -3.860 1.00 0.00 C ATOM 461 O LEU A 29 -2.772 4.395 -3.698 1.00 0.00 O ATOM 462 CB LEU A 29 -4.757 2.366 -5.408 1.00 0.00 C ATOM 463 CG LEU A 29 -5.193 2.011 -6.831 1.00 0.00 C ATOM 464 CD1 LEU A 29 -6.195 0.867 -6.811 1.00 0.00 C ATOM 465 CD2 LEU A 29 -5.782 3.228 -7.528 1.00 0.00 C ATOM 0 H LEU A 29 -2.801 0.624 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.936 3.367 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.043 1.552 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.305 3.251 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.315 1.688 -7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.494 0.628 -7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.737 -0.009 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.072 1.162 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.086 2.957 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.649 3.582 -6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.033 4.019 -7.575 1.00 0.00 H new ATOM 477 N ALA A 30 -2.985 2.318 -2.865 1.00 0.00 N ATOM 478 CA ALA A 30 -2.733 2.725 -1.488 1.00 0.00 C ATOM 479 C ALA A 30 -1.292 2.438 -1.085 1.00 0.00 C ATOM 480 O ALA A 30 -0.604 1.640 -1.723 1.00 0.00 O ATOM 481 CB ALA A 30 -3.697 2.020 -0.546 1.00 0.00 C ATOM 0 H ALA A 30 -3.158 1.320 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.894 3.801 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.498 2.333 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.721 2.280 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.563 0.941 -0.629 1.00 0.00 H new ATOM 487 N ASP A 31 -0.840 3.096 -0.023 1.00 0.00 N ATOM 488 CA ASP A 31 0.520 2.916 0.468 1.00 0.00 C ATOM 489 C ASP A 31 0.516 2.481 1.926 1.00 0.00 C ATOM 490 O ASP A 31 -0.542 2.301 2.527 1.00 0.00 O ATOM 491 CB ASP A 31 1.314 4.213 0.312 1.00 0.00 C ATOM 492 CG ASP A 31 1.044 4.900 -1.013 1.00 0.00 C ATOM 493 OD1 ASP A 31 0.093 5.707 -1.081 1.00 0.00 O ATOM 494 OD2 ASP A 31 1.785 4.632 -1.983 1.00 0.00 O ATOM 0 H ASP A 31 -1.397 3.760 0.515 1.00 0.00 H new ATOM 0 HA ASP A 31 0.995 2.134 -0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.062 4.891 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.379 3.996 0.395 1.00 0.00 H new ATOM 499 N CYS A 32 1.706 2.316 2.490 1.00 0.00 N ATOM 500 CA CYS A 32 1.833 1.906 3.876 1.00 0.00 C ATOM 501 C CYS A 32 2.113 3.109 4.760 1.00 0.00 C ATOM 502 O CYS A 32 1.658 4.217 4.482 1.00 0.00 O ATOM 503 CB CYS A 32 2.952 0.874 4.032 1.00 0.00 C ATOM 504 SG CYS A 32 2.356 -0.825 4.300 1.00 0.00 S ATOM 0 H CYS A 32 2.593 2.460 2.007 1.00 0.00 H new ATOM 0 HA CYS A 32 0.892 1.451 4.184 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.577 0.893 3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.585 1.163 4.871 1.00 0.00 H new ATOM 509 N TYR A 33 2.855 2.878 5.829 1.00 0.00 N ATOM 510 CA TYR A 33 3.188 3.929 6.762 1.00 0.00 C ATOM 511 C TYR A 33 4.565 3.685 7.359 1.00 0.00 C ATOM 512 O TYR A 33 5.124 4.537 8.050 1.00 0.00 O ATOM 513 CB TYR A 33 2.143 3.955 7.860 1.00 0.00 C ATOM 514 CG TYR A 33 1.027 4.941 7.611 1.00 0.00 C ATOM 515 CD1 TYR A 33 1.212 6.299 7.828 1.00 0.00 C ATOM 516 CD2 TYR A 33 -0.214 4.510 7.157 1.00 0.00 C ATOM 517 CE1 TYR A 33 0.191 7.203 7.601 1.00 0.00 C ATOM 518 CE2 TYR A 33 -1.239 5.407 6.927 1.00 0.00 C ATOM 519 CZ TYR A 33 -1.032 6.752 7.150 1.00 0.00 C ATOM 520 OH TYR A 33 -2.051 7.648 6.924 1.00 0.00 O ATOM 0 H TYR A 33 3.238 1.964 6.069 1.00 0.00 H new ATOM 0 HA TYR A 33 3.204 4.888 6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.717 2.957 7.968 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.628 4.199 8.805 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.169 6.655 8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.379 3.457 6.981 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.350 8.257 7.776 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.198 5.057 6.574 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.097 7.857 5.968 1.00 0.00 H new ATOM 530 N ASN A 34 5.092 2.501 7.090 1.00 0.00 N ATOM 531 CA ASN A 34 6.393 2.097 7.592 1.00 0.00 C ATOM 532 C ASN A 34 7.502 2.491 6.625 1.00 0.00 C ATOM 533 O ASN A 34 8.673 2.560 7.000 1.00 0.00 O ATOM 534 CB ASN A 34 6.401 0.586 7.799 1.00 0.00 C ATOM 535 CG ASN A 34 5.897 0.186 9.166 1.00 0.00 C ATOM 536 OD1 ASN A 34 4.649 -0.255 9.222 1.00 0.00 O flip ATOM 537 ND2 ASN A 34 6.619 0.273 10.160 1.00 0.00 N flip ATOM 0 H ASN A 34 4.629 1.795 6.518 1.00 0.00 H new ATOM 0 HA ASN A 34 6.575 2.605 8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.782 0.115 7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.415 0.210 7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.574 0.619 10.068 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.262 -0.001 11.075 1.00 0.00 H new ATOM 544 N ASP A 35 7.126 2.739 5.379 1.00 0.00 N ATOM 545 CA ASP A 35 8.087 3.116 4.350 1.00 0.00 C ATOM 546 C ASP A 35 8.677 1.875 3.691 1.00 0.00 C ATOM 547 O ASP A 35 9.229 1.944 2.593 1.00 0.00 O ATOM 548 CB ASP A 35 9.204 3.971 4.953 1.00 0.00 C ATOM 549 CG ASP A 35 9.538 5.174 4.094 1.00 0.00 C ATOM 550 OD1 ASP A 35 8.600 5.886 3.678 1.00 0.00 O ATOM 551 OD2 ASP A 35 10.738 5.405 3.836 1.00 0.00 O ATOM 0 H ASP A 35 6.160 2.686 5.054 1.00 0.00 H new ATOM 0 HA ASP A 35 7.567 3.701 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.904 4.308 5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.097 3.360 5.081 1.00 0.00 H new ATOM 556 N GLY A 36 8.552 0.741 4.372 1.00 0.00 N ATOM 557 CA GLY A 36 9.070 -0.505 3.843 1.00 0.00 C ATOM 558 C GLY A 36 7.972 -1.516 3.575 1.00 0.00 C ATOM 559 O GLY A 36 8.226 -2.589 3.028 1.00 0.00 O ATOM 0 H GLY A 36 8.100 0.664 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.613 -0.307 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.786 -0.927 4.548 1.00 0.00 H new ATOM 563 N GLN A 37 6.748 -1.170 3.961 1.00 0.00 N ATOM 564 CA GLN A 37 5.605 -2.051 3.759 1.00 0.00 C ATOM 565 C GLN A 37 4.682 -1.498 2.679 1.00 0.00 C ATOM 566 O GLN A 37 4.588 -0.286 2.489 1.00 0.00 O ATOM 567 CB GLN A 37 4.832 -2.225 5.068 1.00 0.00 C ATOM 568 CG GLN A 37 5.712 -2.596 6.250 1.00 0.00 C ATOM 569 CD GLN A 37 4.909 -2.980 7.478 1.00 0.00 C ATOM 570 OE1 GLN A 37 5.295 -2.674 8.607 1.00 0.00 O ATOM 571 NE2 GLN A 37 3.785 -3.654 7.263 1.00 0.00 N ATOM 0 H GLN A 37 6.523 -0.285 4.416 1.00 0.00 H new ATOM 0 HA GLN A 37 5.976 -3.023 3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.305 -1.298 5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.075 -2.997 4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.359 -3.427 5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.361 -1.755 6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.504 -3.886 6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.203 -3.939 8.050 1.00 0.00 H new ATOM 580 N LYS A 38 4.004 -2.395 1.971 1.00 0.00 N ATOM 581 CA LYS A 38 3.089 -1.995 0.909 1.00 0.00 C ATOM 582 C LYS A 38 1.656 -2.394 1.245 1.00 0.00 C ATOM 583 O LYS A 38 1.394 -2.978 2.298 1.00 0.00 O ATOM 584 CB LYS A 38 3.508 -2.629 -0.418 1.00 0.00 C ATOM 585 CG LYS A 38 4.143 -4.003 -0.264 1.00 0.00 C ATOM 586 CD LYS A 38 3.358 -5.066 -1.014 1.00 0.00 C ATOM 587 CE LYS A 38 3.929 -5.302 -2.404 1.00 0.00 C ATOM 588 NZ LYS A 38 4.474 -6.680 -2.553 1.00 0.00 N ATOM 0 H LYS A 38 4.071 -3.403 2.113 1.00 0.00 H new ATOM 0 HA LYS A 38 3.132 -0.910 0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.633 -2.713 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.213 -1.967 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.167 -3.975 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.194 -4.265 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.374 -5.998 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.315 -4.761 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.151 -5.137 -3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.718 -4.576 -2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.483 -6.629 -2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.364 -7.196 -1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.957 -7.178 -3.305 1.00 0.00 H new ATOM 602 N CYS A 39 0.731 -2.077 0.345 1.00 0.00 N ATOM 603 CA CYS A 39 -0.675 -2.402 0.548 1.00 0.00 C ATOM 604 C CYS A 39 -1.004 -3.780 -0.014 1.00 0.00 C ATOM 605 O CYS A 39 -0.420 -4.213 -1.006 1.00 0.00 O ATOM 606 CB CYS A 39 -1.567 -1.351 -0.111 1.00 0.00 C ATOM 607 SG CYS A 39 -3.242 -1.262 0.596 1.00 0.00 S ATOM 0 H CYS A 39 0.930 -1.595 -0.532 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.864 -2.410 1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.091 -0.375 -0.019 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.643 -1.569 -1.176 1.00 0.00 H new ATOM 612 N CYS A 40 -1.945 -4.464 0.629 1.00 0.00 N ATOM 613 CA CYS A 40 -2.354 -5.793 0.193 1.00 0.00 C ATOM 614 C CYS A 40 -3.863 -5.964 0.315 1.00 0.00 C ATOM 615 O CYS A 40 -4.493 -5.393 1.205 1.00 0.00 O ATOM 616 CB CYS A 40 -1.635 -6.861 1.018 1.00 0.00 C ATOM 617 SG CYS A 40 -2.135 -8.569 0.631 1.00 0.00 S ATOM 0 H CYS A 40 -2.438 -4.120 1.453 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.081 -5.909 -0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.561 -6.764 0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.819 -6.672 2.076 1.00 0.00 H new ATOM 622 N ARG A 41 -4.440 -6.753 -0.586 1.00 0.00 N ATOM 623 CA ARG A 41 -5.877 -6.997 -0.578 1.00 0.00 C ATOM 624 C ARG A 41 -6.267 -7.894 0.591 1.00 0.00 C ATOM 625 O ARG A 41 -6.880 -8.945 0.404 1.00 0.00 O ATOM 626 CB ARG A 41 -6.316 -7.637 -1.896 1.00 0.00 C ATOM 627 CG ARG A 41 -7.035 -6.677 -2.829 1.00 0.00 C ATOM 628 CD ARG A 41 -6.899 -7.106 -4.281 1.00 0.00 C ATOM 629 NE ARG A 41 -5.699 -6.555 -4.905 1.00 0.00 N ATOM 630 CZ ARG A 41 -5.705 -5.898 -6.060 1.00 0.00 C ATOM 631 NH1 ARG A 41 -6.843 -5.712 -6.714 1.00 0.00 N ATOM 632 NH2 ARG A 41 -4.572 -5.426 -6.562 1.00 0.00 N ATOM 0 H ARG A 41 -3.934 -7.234 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.383 -6.038 -0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.439 -8.037 -2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.972 -8.480 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.090 -6.628 -2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.628 -5.674 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.869 -8.194 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.778 -6.783 -4.838 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.807 -6.682 -4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.716 -6.073 -6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.845 -5.207 -7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.695 -5.567 -6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.578 -4.922 -7.449 1.00 0.00 H new ATOM 646 N LYS A 42 -5.907 -7.471 1.797 1.00 0.00 N ATOM 647 CA LYS A 42 -6.218 -8.232 3.000 1.00 0.00 C ATOM 648 C LYS A 42 -6.263 -9.727 2.701 1.00 0.00 C ATOM 649 O LYS A 42 -5.222 -10.278 2.283 1.00 0.00 O ATOM 650 CB LYS A 42 -7.553 -7.776 3.587 1.00 0.00 C ATOM 651 CG LYS A 42 -7.411 -6.952 4.856 1.00 0.00 C ATOM 652 CD LYS A 42 -6.698 -5.636 4.586 1.00 0.00 C ATOM 653 CE LYS A 42 -7.568 -4.446 4.958 1.00 0.00 C ATOM 654 NZ LYS A 42 -8.971 -4.852 5.246 1.00 0.00 N ATOM 655 OXT LYS A 42 -7.337 -10.334 2.889 1.00 0.00 O ATOM 0 H LYS A 42 -5.399 -6.603 1.967 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.429 -8.050 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.087 -7.188 2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.165 -8.653 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.397 -6.754 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.856 -7.522 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.769 -5.601 5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.429 -5.576 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.148 -3.948 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.560 -3.722 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.591 -4.019 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.279 -5.557 4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.024 -5.265 6.199 1.00 0.00 H new