USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=4 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 -32:sc= -0.479! USER MOD Set 1.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 ASN : amide:sc= -9.4! C(o=-21!,f=-8.5!) USER MOD Set 2.2: A 37 GLN : amide:sc= -11.7! C(o=-21!,f=-8.5!) USER MOD Single : A 11 SER OG : rot 138:sc= 0.988 USER MOD Single : A 13 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.27) USER MOD Single : A 18 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.02) 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+ 153:sc= 1.05 (180deg=0.47) USER MOD ----------------------------------------------------------------- ATOM 136 N ASP A 8 -3.229 6.182 1.424 1.00 0.00 N ATOM 137 CA ASP A 8 -2.794 5.173 2.371 1.00 0.00 C ATOM 138 C ASP A 8 -3.487 3.840 2.112 1.00 0.00 C ATOM 139 O ASP A 8 -4.370 3.742 1.260 1.00 0.00 O ATOM 140 CB ASP A 8 -3.092 5.652 3.786 1.00 0.00 C ATOM 141 CG ASP A 8 -3.829 6.977 3.803 1.00 0.00 C ATOM 142 OD1 ASP A 8 -3.324 7.945 3.196 1.00 0.00 O ATOM 143 OD2 ASP A 8 -4.911 7.047 4.424 1.00 0.00 O ATOM 0 HA ASP A 8 -1.721 5.020 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.689 4.901 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.157 5.752 4.338 1.00 0.00 H new ATOM 148 N CYS A 9 -3.083 2.815 2.858 1.00 0.00 N ATOM 149 CA CYS A 9 -3.667 1.489 2.712 1.00 0.00 C ATOM 150 C CYS A 9 -4.787 1.275 3.722 1.00 0.00 C ATOM 151 O CYS A 9 -5.880 0.837 3.369 1.00 0.00 O ATOM 152 CB CYS A 9 -2.597 0.411 2.888 1.00 0.00 C ATOM 153 SG CYS A 9 -3.213 -1.286 2.645 1.00 0.00 S ATOM 0 H CYS A 9 -2.354 2.879 3.569 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.085 1.415 1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.787 0.598 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.173 0.493 3.889 1.00 0.00 H new ATOM 158 N GLU A 10 -4.512 1.586 4.980 1.00 0.00 N ATOM 159 CA GLU A 10 -5.503 1.425 6.031 1.00 0.00 C ATOM 160 C GLU A 10 -6.744 2.262 5.735 1.00 0.00 C ATOM 161 O GLU A 10 -7.862 1.878 6.079 1.00 0.00 O ATOM 162 CB GLU A 10 -4.909 1.827 7.382 1.00 0.00 C ATOM 163 CG GLU A 10 -5.074 0.769 8.460 1.00 0.00 C ATOM 164 CD GLU A 10 -5.882 1.264 9.644 1.00 0.00 C ATOM 165 OE1 GLU A 10 -7.018 1.737 9.431 1.00 0.00 O ATOM 166 OE2 GLU A 10 -5.379 1.180 10.783 1.00 0.00 O ATOM 0 H GLU A 10 -3.613 1.950 5.296 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.795 0.376 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.848 2.040 7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.381 2.751 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.562 -0.107 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.090 0.450 8.804 1.00 0.00 H new ATOM 173 N SER A 11 -6.536 3.404 5.087 1.00 0.00 N ATOM 174 CA SER A 11 -7.633 4.298 4.737 1.00 0.00 C ATOM 175 C SER A 11 -8.501 3.689 3.643 1.00 0.00 C ATOM 176 O SER A 11 -9.661 4.065 3.474 1.00 0.00 O ATOM 177 CB SER A 11 -7.088 5.651 4.279 1.00 0.00 C ATOM 178 OG SER A 11 -7.287 6.644 5.270 1.00 0.00 O ATOM 0 H SER A 11 -5.616 3.732 4.793 1.00 0.00 H new ATOM 0 HA SER A 11 -8.249 4.444 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.024 5.562 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.582 5.951 3.355 1.00 0.00 H new ATOM 0 HG SER A 11 -6.484 7.201 5.341 1.00 0.00 H new ATOM 184 N ILE A 12 -7.931 2.745 2.904 1.00 0.00 N ATOM 185 CA ILE A 12 -8.647 2.080 1.831 1.00 0.00 C ATOM 186 C ILE A 12 -9.165 0.724 2.288 1.00 0.00 C ATOM 187 O ILE A 12 -9.833 0.012 1.537 1.00 0.00 O ATOM 188 CB ILE A 12 -7.747 1.879 0.603 1.00 0.00 C ATOM 189 CG1 ILE A 12 -6.370 1.370 1.024 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.620 3.175 -0.182 1.00 0.00 C ATOM 191 CD1 ILE A 12 -5.608 0.697 -0.097 1.00 0.00 C ATOM 0 H ILE A 12 -6.971 2.424 3.032 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.486 2.720 1.558 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.207 1.130 -0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.782 2.206 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.488 0.665 1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.979 3.014 -1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.607 3.497 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.183 3.945 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.639 0.360 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.176 -0.160 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.459 1.405 -0.912 1.00 0.00 H new ATOM 203 N ASN A 13 -8.848 0.375 3.527 1.00 0.00 N ATOM 204 CA ASN A 13 -9.273 -0.896 4.102 1.00 0.00 C ATOM 205 C ASN A 13 -8.366 -2.033 3.641 1.00 0.00 C ATOM 206 O ASN A 13 -8.838 -3.119 3.303 1.00 0.00 O ATOM 207 CB ASN A 13 -10.723 -1.194 3.713 1.00 0.00 C ATOM 208 CG ASN A 13 -11.319 -2.323 4.529 1.00 0.00 C ATOM 209 OD1 ASN A 13 -11.323 -2.281 5.759 1.00 0.00 O ATOM 210 ND2 ASN A 13 -11.826 -3.343 3.846 1.00 0.00 N ATOM 0 H ASN A 13 -8.295 0.957 4.157 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.203 -0.818 5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.325 -0.295 3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -10.767 -1.452 2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.240 -4.133 4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.802 -3.336 2.826 1.00 0.00 H new ATOM 217 N GLY A 14 -7.062 -1.776 3.633 1.00 0.00 N ATOM 218 CA GLY A 14 -6.109 -2.788 3.215 1.00 0.00 C ATOM 219 C GLY A 14 -5.154 -3.178 4.326 1.00 0.00 C ATOM 220 O GLY A 14 -5.354 -2.808 5.483 1.00 0.00 O ATOM 0 H GLY A 14 -6.648 -0.885 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.648 -3.673 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.539 -2.416 2.364 1.00 0.00 H new ATOM 224 N VAL A 15 -4.112 -3.924 3.974 1.00 0.00 N ATOM 225 CA VAL A 15 -3.121 -4.362 4.950 1.00 0.00 C ATOM 226 C VAL A 15 -1.727 -3.878 4.574 1.00 0.00 C ATOM 227 O VAL A 15 -1.438 -3.636 3.404 1.00 0.00 O ATOM 228 CB VAL A 15 -3.101 -5.896 5.081 1.00 0.00 C ATOM 229 CG1 VAL A 15 -2.674 -6.539 3.771 1.00 0.00 C ATOM 230 CG2 VAL A 15 -2.186 -6.324 6.217 1.00 0.00 C ATOM 0 H VAL A 15 -3.932 -4.238 3.020 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.408 -3.927 5.907 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.111 -6.235 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.666 -7.623 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.375 -6.261 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.675 -6.194 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.185 -7.411 6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.173 -5.973 6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.543 -5.895 7.153 1.00 0.00 H new ATOM 240 N CYS A 16 -0.866 -3.733 5.575 1.00 0.00 N ATOM 241 CA CYS A 16 0.497 -3.273 5.343 1.00 0.00 C ATOM 242 C CYS A 16 1.502 -4.393 5.590 1.00 0.00 C ATOM 243 O CYS A 16 1.884 -4.657 6.729 1.00 0.00 O ATOM 244 CB CYS A 16 0.816 -2.079 6.242 1.00 0.00 C ATOM 245 SG CYS A 16 0.936 -0.493 5.353 1.00 0.00 S ATOM 0 H CYS A 16 -1.087 -3.927 6.552 1.00 0.00 H new ATOM 0 HA CYS A 16 0.575 -2.965 4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.044 -1.997 7.007 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.758 -2.267 6.758 1.00 0.00 H new ATOM 250 N ARG A 17 1.928 -5.046 4.514 1.00 0.00 N ATOM 251 CA ARG A 17 2.892 -6.135 4.613 1.00 0.00 C ATOM 252 C ARG A 17 4.229 -5.731 4.001 1.00 0.00 C ATOM 253 O ARG A 17 4.548 -4.545 3.914 1.00 0.00 O ATOM 254 CB ARG A 17 2.354 -7.386 3.915 1.00 0.00 C ATOM 255 CG ARG A 17 2.083 -8.542 4.863 1.00 0.00 C ATOM 256 CD ARG A 17 1.221 -9.610 4.209 1.00 0.00 C ATOM 257 NE ARG A 17 0.170 -10.089 5.102 1.00 0.00 N ATOM 258 CZ ARG A 17 0.147 -11.312 5.623 1.00 0.00 C ATOM 259 NH1 ARG A 17 1.115 -12.174 5.341 1.00 0.00 N ATOM 260 NH2 ARG A 17 -0.844 -11.673 6.427 1.00 0.00 N ATOM 0 H ARG A 17 1.621 -4.840 3.563 1.00 0.00 H new ATOM 0 HA ARG A 17 3.047 -6.357 5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.432 -7.132 3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.071 -7.707 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.028 -8.981 5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.586 -8.170 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.770 -9.207 3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.849 -10.448 3.907 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.589 -9.450 5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.879 -11.899 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.096 -13.112 5.742 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.589 -11.012 6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.861 -12.611 6.826 1.00 0.00 H new ATOM 274 N HIS A 18 5.007 -6.721 3.577 1.00 0.00 N ATOM 275 CA HIS A 18 6.307 -6.465 2.974 1.00 0.00 C ATOM 276 C HIS A 18 6.182 -6.304 1.464 1.00 0.00 C ATOM 277 O HIS A 18 5.431 -7.028 0.811 1.00 0.00 O ATOM 278 CB HIS A 18 7.277 -7.601 3.298 1.00 0.00 C ATOM 279 CG HIS A 18 8.508 -7.147 4.022 1.00 0.00 C ATOM 280 ND1 HIS A 18 9.768 -7.630 3.740 1.00 0.00 N ATOM 281 CD2 HIS A 18 8.666 -6.245 5.019 1.00 0.00 C ATOM 282 CE1 HIS A 18 10.649 -7.045 4.533 1.00 0.00 C ATOM 283 NE2 HIS A 18 10.005 -6.200 5.318 1.00 0.00 N ATOM 0 H HIS A 18 4.759 -7.708 3.640 1.00 0.00 H new ATOM 0 HA HIS A 18 6.696 -5.536 3.391 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.762 -8.346 3.905 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.571 -8.093 2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.884 -5.668 5.491 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.714 -7.227 4.538 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.433 -5.610 6.031 1.00 0.00 H new ATOM 292 N LYS A 19 6.923 -5.348 0.918 1.00 0.00 N ATOM 293 CA LYS A 19 6.899 -5.087 -0.516 1.00 0.00 C ATOM 294 C LYS A 19 7.436 -6.282 -1.296 1.00 0.00 C ATOM 295 O LYS A 19 7.487 -6.262 -2.526 1.00 0.00 O ATOM 296 CB LYS A 19 7.720 -3.839 -0.842 1.00 0.00 C ATOM 297 CG LYS A 19 8.808 -3.545 0.179 1.00 0.00 C ATOM 298 CD LYS A 19 10.148 -3.290 -0.493 1.00 0.00 C ATOM 299 CE LYS A 19 10.649 -1.881 -0.218 1.00 0.00 C ATOM 300 NZ LYS A 19 12.136 -1.804 -0.247 1.00 0.00 N ATOM 0 H LYS A 19 7.548 -4.740 1.447 1.00 0.00 H new ATOM 0 HA LYS A 19 5.863 -4.919 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.177 -3.961 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.051 -2.980 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.526 -2.675 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.899 -4.385 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.880 -4.014 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.052 -3.440 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.236 -1.198 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.287 -1.551 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.437 -0.827 -0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.531 -2.437 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.480 -2.094 -1.184 1.00 0.00 H new ATOM 314 N ASP A 20 7.835 -7.322 -0.573 1.00 0.00 N ATOM 315 CA ASP A 20 8.367 -8.527 -1.196 1.00 0.00 C ATOM 316 C ASP A 20 7.663 -9.768 -0.664 1.00 0.00 C ATOM 317 O ASP A 20 8.205 -10.872 -0.709 1.00 0.00 O ATOM 318 CB ASP A 20 9.872 -8.634 -0.944 1.00 0.00 C ATOM 319 CG ASP A 20 10.619 -9.194 -2.139 1.00 0.00 C ATOM 320 OD1 ASP A 20 9.959 -9.721 -3.059 1.00 0.00 O ATOM 321 OD2 ASP A 20 11.865 -9.105 -2.155 1.00 0.00 O ATOM 0 H ASP A 20 7.800 -7.355 0.446 1.00 0.00 H new ATOM 0 HA ASP A 20 8.189 -8.461 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.268 -7.648 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.048 -9.271 -0.077 1.00 0.00 H new ATOM 326 N THR A 21 6.448 -9.579 -0.162 1.00 0.00 N ATOM 327 CA THR A 21 5.666 -10.683 0.379 1.00 0.00 C ATOM 328 C THR A 21 5.758 -11.899 -0.534 1.00 0.00 C ATOM 329 O THR A 21 6.793 -12.562 -0.597 1.00 0.00 O ATOM 330 CB THR A 21 4.205 -10.268 0.553 1.00 0.00 C ATOM 331 OG1 THR A 21 4.104 -8.873 0.782 1.00 0.00 O ATOM 332 CG2 THR A 21 3.517 -10.972 1.703 1.00 0.00 C ATOM 0 H THR A 21 5.984 -8.672 -0.119 1.00 0.00 H new ATOM 0 HA THR A 21 6.074 -10.946 1.355 1.00 0.00 H new ATOM 0 HB THR A 21 3.711 -10.553 -0.376 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.898 -8.563 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.484 -10.632 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.535 -12.049 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.037 -10.743 2.633 1.00 0.00 H new ATOM 340 N VAL A 22 4.671 -12.190 -1.239 1.00 0.00 N ATOM 341 CA VAL A 22 4.642 -13.328 -2.141 1.00 0.00 C ATOM 342 C VAL A 22 3.328 -13.407 -2.909 1.00 0.00 C ATOM 343 O VAL A 22 3.301 -13.277 -4.133 1.00 0.00 O ATOM 344 CB VAL A 22 4.865 -14.641 -1.367 1.00 0.00 C ATOM 345 CG1 VAL A 22 3.651 -15.557 -1.452 1.00 0.00 C ATOM 346 CG2 VAL A 22 6.105 -15.348 -1.879 1.00 0.00 C ATOM 0 H VAL A 22 3.804 -11.655 -1.202 1.00 0.00 H new ATOM 0 HA VAL A 22 5.450 -13.188 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 22 5.010 -14.389 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.846 -16.473 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.783 -15.052 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.453 -15.803 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.251 -16.274 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.983 -15.575 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.973 -14.703 -1.744 1.00 0.00 H new ATOM 356 N ASN A 23 2.248 -13.639 -2.181 1.00 0.00 N ATOM 357 CA ASN A 23 0.931 -13.759 -2.786 1.00 0.00 C ATOM 358 C ASN A 23 -0.073 -12.837 -2.101 1.00 0.00 C ATOM 359 O ASN A 23 -1.275 -13.104 -2.099 1.00 0.00 O ATOM 360 CB ASN A 23 0.462 -15.210 -2.700 1.00 0.00 C ATOM 361 CG ASN A 23 -0.047 -15.736 -4.026 1.00 0.00 C ATOM 362 OD1 ASN A 23 -1.154 -15.408 -4.456 1.00 0.00 O ATOM 363 ND2 ASN A 23 0.762 -16.558 -4.684 1.00 0.00 N ATOM 0 H ASN A 23 2.257 -13.748 -1.167 1.00 0.00 H new ATOM 0 HA ASN A 23 0.999 -13.460 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.287 -15.835 -2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.329 -15.289 -1.954 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.475 -16.945 -5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.671 -16.803 -4.290 1.00 0.00 H new ATOM 370 N CYS A 24 0.429 -11.751 -1.524 1.00 0.00 N ATOM 371 CA CYS A 24 -0.423 -10.787 -0.837 1.00 0.00 C ATOM 372 C CYS A 24 -0.690 -9.573 -1.721 1.00 0.00 C ATOM 373 O CYS A 24 -0.240 -8.466 -1.425 1.00 0.00 O ATOM 374 CB CYS A 24 0.228 -10.344 0.475 1.00 0.00 C ATOM 375 SG CYS A 24 -0.954 -9.763 1.733 1.00 0.00 S ATOM 0 H CYS A 24 1.422 -11.516 -1.518 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.375 -11.271 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.798 -11.178 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.939 -9.545 0.264 1.00 0.00 H new ATOM 380 N ARG A 25 -1.424 -9.789 -2.808 1.00 0.00 N ATOM 381 CA ARG A 25 -1.751 -8.712 -3.735 1.00 0.00 C ATOM 382 C ARG A 25 -1.514 -7.350 -3.091 1.00 0.00 C ATOM 383 O ARG A 25 -1.876 -7.129 -1.934 1.00 0.00 O ATOM 384 CB ARG A 25 -3.206 -8.825 -4.194 1.00 0.00 C ATOM 385 CG ARG A 25 -3.624 -10.244 -4.546 1.00 0.00 C ATOM 386 CD ARG A 25 -4.787 -10.253 -5.526 1.00 0.00 C ATOM 387 NE ARG A 25 -5.413 -11.569 -5.620 1.00 0.00 N ATOM 388 CZ ARG A 25 -6.368 -11.990 -4.796 1.00 0.00 C ATOM 389 NH1 ARG A 25 -6.803 -11.201 -3.823 1.00 0.00 N ATOM 390 NH2 ARG A 25 -6.890 -13.199 -4.947 1.00 0.00 N ATOM 0 H ARG A 25 -1.803 -10.699 -3.068 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.097 -8.804 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.857 -8.448 -3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.355 -8.185 -5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.778 -10.778 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.907 -10.777 -3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.530 -9.520 -5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.433 -9.949 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.101 -12.200 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.405 -10.269 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.536 -11.526 -3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.559 -13.807 -5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.622 -13.521 -4.314 1.00 0.00 H new ATOM 404 N GLU A 26 -0.908 -6.440 -3.845 1.00 0.00 N ATOM 405 CA GLU A 26 -0.625 -5.100 -3.345 1.00 0.00 C ATOM 406 C GLU A 26 -1.587 -4.081 -3.949 1.00 0.00 C ATOM 407 O GLU A 26 -2.039 -4.233 -5.083 1.00 0.00 O ATOM 408 CB GLU A 26 0.820 -4.708 -3.659 1.00 0.00 C ATOM 409 CG GLU A 26 0.984 -3.250 -4.053 1.00 0.00 C ATOM 410 CD GLU A 26 2.437 -2.840 -4.187 1.00 0.00 C ATOM 411 OE1 GLU A 26 3.260 -3.692 -4.584 1.00 0.00 O ATOM 412 OE2 GLU A 26 2.752 -1.668 -3.894 1.00 0.00 O ATOM 0 H GLU A 26 -0.603 -6.606 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.763 -5.106 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.440 -4.912 -2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.191 -5.338 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.472 -3.074 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.500 -2.620 -3.307 1.00 0.00 H new ATOM 419 N ILE A 27 -1.897 -3.042 -3.179 1.00 0.00 N ATOM 420 CA ILE A 27 -2.807 -1.997 -3.633 1.00 0.00 C ATOM 421 C ILE A 27 -2.047 -0.740 -4.038 1.00 0.00 C ATOM 422 O ILE A 27 -1.895 0.188 -3.244 1.00 0.00 O ATOM 423 CB ILE A 27 -3.832 -1.634 -2.542 1.00 0.00 C ATOM 424 CG1 ILE A 27 -5.028 -2.585 -2.595 1.00 0.00 C ATOM 425 CG2 ILE A 27 -4.290 -0.193 -2.702 1.00 0.00 C ATOM 426 CD1 ILE A 27 -5.812 -2.643 -1.302 1.00 0.00 C ATOM 0 H ILE A 27 -1.531 -2.902 -2.237 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.334 -2.393 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.352 -1.737 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.694 -2.274 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.675 -3.586 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.014 0.047 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.431 0.473 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.753 -0.065 -3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.645 -3.337 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.161 -2.983 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.195 -1.651 -1.064 1.00 0.00 H new ATOM 438 N PHE A 28 -1.572 -0.714 -5.280 1.00 0.00 N ATOM 439 CA PHE A 28 -0.831 0.432 -5.792 1.00 0.00 C ATOM 440 C PHE A 28 -1.455 1.738 -5.314 1.00 0.00 C ATOM 441 O PHE A 28 -0.909 2.424 -4.450 1.00 0.00 O ATOM 442 CB PHE A 28 -0.809 0.405 -7.321 1.00 0.00 C ATOM 443 CG PHE A 28 -1.102 -0.949 -7.903 1.00 0.00 C ATOM 444 CD1 PHE A 28 -0.107 -1.909 -7.995 1.00 0.00 C ATOM 445 CD2 PHE A 28 -2.374 -1.259 -8.357 1.00 0.00 C ATOM 446 CE1 PHE A 28 -0.376 -3.154 -8.529 1.00 0.00 C ATOM 447 CE2 PHE A 28 -2.648 -2.503 -8.894 1.00 0.00 C ATOM 448 CZ PHE A 28 -1.647 -3.452 -8.980 1.00 0.00 C ATOM 0 H PHE A 28 -1.688 -1.474 -5.950 1.00 0.00 H new ATOM 0 HA PHE A 28 0.189 0.372 -5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.540 1.120 -7.699 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.170 0.736 -7.668 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.889 -1.681 -7.646 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.160 -0.521 -8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.407 -3.895 -8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.643 -2.733 -9.246 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.858 -4.425 -9.399 1.00 0.00 H new ATOM 458 N LEU A 29 -2.604 2.068 -5.888 1.00 0.00 N ATOM 459 CA LEU A 29 -3.323 3.287 -5.538 1.00 0.00 C ATOM 460 C LEU A 29 -2.953 3.776 -4.143 1.00 0.00 C ATOM 461 O LEU A 29 -2.667 4.956 -3.943 1.00 0.00 O ATOM 462 CB LEU A 29 -4.828 3.039 -5.618 1.00 0.00 C ATOM 463 CG LEU A 29 -5.349 2.686 -7.011 1.00 0.00 C ATOM 464 CD1 LEU A 29 -6.156 1.398 -6.967 1.00 0.00 C ATOM 465 CD2 LEU A 29 -6.188 3.825 -7.570 1.00 0.00 C ATOM 0 H LEU A 29 -3.062 1.504 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.038 4.061 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.085 2.230 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.348 3.931 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.495 2.533 -7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.519 1.162 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.524 0.585 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.004 1.523 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.551 3.557 -8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.036 4.009 -6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.579 4.726 -7.638 1.00 0.00 H new ATOM 477 N ALA A 30 -2.973 2.864 -3.179 1.00 0.00 N ATOM 478 CA ALA A 30 -2.651 3.205 -1.798 1.00 0.00 C ATOM 479 C ALA A 30 -1.217 2.832 -1.447 1.00 0.00 C ATOM 480 O ALA A 30 -0.556 2.091 -2.176 1.00 0.00 O ATOM 481 CB ALA A 30 -3.616 2.512 -0.849 1.00 0.00 C ATOM 0 H ALA A 30 -3.209 1.883 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.751 4.285 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.366 2.774 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.635 2.832 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.540 1.432 -0.977 1.00 0.00 H new ATOM 487 N ASP A 31 -0.746 3.349 -0.316 1.00 0.00 N ATOM 488 CA ASP A 31 0.607 3.077 0.152 1.00 0.00 C ATOM 489 C ASP A 31 0.583 2.555 1.579 1.00 0.00 C ATOM 490 O ASP A 31 -0.483 2.298 2.138 1.00 0.00 O ATOM 491 CB ASP A 31 1.464 4.342 0.071 1.00 0.00 C ATOM 492 CG ASP A 31 1.762 4.748 -1.358 1.00 0.00 C ATOM 493 OD1 ASP A 31 1.488 3.944 -2.273 1.00 0.00 O ATOM 494 OD2 ASP A 31 2.272 5.870 -1.563 1.00 0.00 O ATOM 0 H ASP A 31 -1.286 3.962 0.295 1.00 0.00 H new ATOM 0 HA ASP A 31 1.045 2.314 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.950 5.159 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.402 4.177 0.602 1.00 0.00 H new ATOM 499 N CYS A 32 1.761 2.404 2.169 1.00 0.00 N ATOM 500 CA CYS A 32 1.862 1.920 3.534 1.00 0.00 C ATOM 501 C CYS A 32 2.054 3.085 4.488 1.00 0.00 C ATOM 502 O CYS A 32 1.636 4.208 4.206 1.00 0.00 O ATOM 503 CB CYS A 32 3.020 0.930 3.677 1.00 0.00 C ATOM 504 SG CYS A 32 2.495 -0.767 4.085 1.00 0.00 S ATOM 0 H CYS A 32 2.655 2.609 1.724 1.00 0.00 H new ATOM 0 HA CYS A 32 0.935 1.403 3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.586 0.911 2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.697 1.287 4.453 1.00 0.00 H new ATOM 509 N TYR A 33 2.676 2.812 5.621 1.00 0.00 N ATOM 510 CA TYR A 33 2.910 3.830 6.617 1.00 0.00 C ATOM 511 C TYR A 33 4.244 3.598 7.308 1.00 0.00 C ATOM 512 O TYR A 33 4.688 4.397 8.132 1.00 0.00 O ATOM 513 CB TYR A 33 1.783 3.794 7.629 1.00 0.00 C ATOM 514 CG TYR A 33 0.715 4.833 7.377 1.00 0.00 C ATOM 515 CD1 TYR A 33 0.696 5.567 6.196 1.00 0.00 C ATOM 516 CD2 TYR A 33 -0.275 5.077 8.317 1.00 0.00 C ATOM 517 CE1 TYR A 33 -0.281 6.516 5.963 1.00 0.00 C ATOM 518 CE2 TYR A 33 -1.256 6.024 8.091 1.00 0.00 C ATOM 519 CZ TYR A 33 -1.254 6.742 6.913 1.00 0.00 C ATOM 520 OH TYR A 33 -2.229 7.686 6.685 1.00 0.00 O ATOM 0 H TYR A 33 3.028 1.888 5.871 1.00 0.00 H new ATOM 0 HA TYR A 33 2.942 4.808 6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.326 2.804 7.618 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.196 3.943 8.627 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.457 5.393 5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.279 4.518 9.241 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.282 7.078 5.041 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.020 6.201 8.833 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.837 7.720 7.453 1.00 0.00 H new ATOM 530 N ASN A 34 4.865 2.484 6.960 1.00 0.00 N ATOM 531 CA ASN A 34 6.145 2.098 7.524 1.00 0.00 C ATOM 532 C ASN A 34 7.295 2.677 6.705 1.00 0.00 C ATOM 533 O ASN A 34 7.549 3.882 6.735 1.00 0.00 O ATOM 534 CB ASN A 34 6.241 0.575 7.541 1.00 0.00 C ATOM 535 CG ASN A 34 5.663 -0.031 8.802 1.00 0.00 C ATOM 536 OD1 ASN A 34 6.172 0.185 9.901 1.00 0.00 O ATOM 537 ND2 ASN A 34 4.591 -0.796 8.645 1.00 0.00 N ATOM 0 H ASN A 34 4.495 1.822 6.278 1.00 0.00 H new ATOM 0 HA ASN A 34 6.218 2.489 8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.716 0.172 6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.286 0.279 7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.154 -1.234 9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.204 -0.946 7.713 1.00 0.00 H new ATOM 544 N ASP A 35 7.979 1.809 5.972 1.00 0.00 N ATOM 545 CA ASP A 35 9.098 2.223 5.134 1.00 0.00 C ATOM 546 C ASP A 35 9.368 1.177 4.061 1.00 0.00 C ATOM 547 O ASP A 35 9.754 1.504 2.939 1.00 0.00 O ATOM 548 CB ASP A 35 10.351 2.440 5.985 1.00 0.00 C ATOM 549 CG ASP A 35 10.940 3.826 5.804 1.00 0.00 C ATOM 550 OD1 ASP A 35 10.165 4.768 5.535 1.00 0.00 O ATOM 551 OD2 ASP A 35 12.173 3.968 5.931 1.00 0.00 O ATOM 0 H ASP A 35 7.778 0.810 5.940 1.00 0.00 H new ATOM 0 HA ASP A 35 8.838 3.164 4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.104 2.287 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.100 1.693 5.722 1.00 0.00 H new ATOM 556 N GLY A 36 9.149 -0.082 4.417 1.00 0.00 N ATOM 557 CA GLY A 36 9.357 -1.168 3.481 1.00 0.00 C ATOM 558 C GLY A 36 8.118 -2.025 3.330 1.00 0.00 C ATOM 559 O GLY A 36 8.182 -3.143 2.818 1.00 0.00 O ATOM 0 H GLY A 36 8.830 -0.371 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.639 -0.762 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.188 -1.787 3.821 1.00 0.00 H new ATOM 563 N GLN A 37 6.984 -1.496 3.783 1.00 0.00 N ATOM 564 CA GLN A 37 5.719 -2.213 3.703 1.00 0.00 C ATOM 565 C GLN A 37 4.791 -1.575 2.676 1.00 0.00 C ATOM 566 O GLN A 37 4.781 -0.355 2.506 1.00 0.00 O ATOM 567 CB GLN A 37 5.039 -2.240 5.073 1.00 0.00 C ATOM 568 CG GLN A 37 5.991 -2.546 6.218 1.00 0.00 C ATOM 569 CD GLN A 37 5.266 -2.954 7.485 1.00 0.00 C ATOM 570 OE1 GLN A 37 5.883 -3.404 8.450 1.00 0.00 O ATOM 571 NE2 GLN A 37 3.946 -2.800 7.488 1.00 0.00 N ATOM 0 H GLN A 37 6.918 -0.572 4.209 1.00 0.00 H new ATOM 0 HA GLN A 37 5.930 -3.234 3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.565 -1.275 5.253 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.246 -2.988 5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.669 -3.345 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.604 -1.668 6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.475 -2.423 6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.404 -3.059 8.313 1.00 0.00 H new ATOM 580 N LYS A 38 4.008 -2.407 1.998 1.00 0.00 N ATOM 581 CA LYS A 38 3.069 -1.926 0.992 1.00 0.00 C ATOM 582 C LYS A 38 1.648 -2.365 1.329 1.00 0.00 C ATOM 583 O LYS A 38 1.414 -2.996 2.360 1.00 0.00 O ATOM 584 CB LYS A 38 3.461 -2.444 -0.394 1.00 0.00 C ATOM 585 CG LYS A 38 4.538 -3.516 -0.361 1.00 0.00 C ATOM 586 CD LYS A 38 3.936 -4.911 -0.355 1.00 0.00 C ATOM 587 CE LYS A 38 3.416 -5.299 -1.730 1.00 0.00 C ATOM 588 NZ LYS A 38 3.602 -6.750 -2.007 1.00 0.00 N ATOM 0 H LYS A 38 4.005 -3.419 2.127 1.00 0.00 H new ATOM 0 HA LYS A 38 3.105 -0.837 0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.575 -2.846 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.811 -1.608 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.191 -3.404 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.158 -3.383 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.688 -5.631 -0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.122 -4.954 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.357 -5.049 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.933 -4.715 -2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.234 -6.973 -2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.614 -6.985 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.087 -7.308 -1.296 1.00 0.00 H new ATOM 602 N CYS A 39 0.702 -2.028 0.458 1.00 0.00 N ATOM 603 CA CYS A 39 -0.693 -2.390 0.675 1.00 0.00 C ATOM 604 C CYS A 39 -1.009 -3.750 0.066 1.00 0.00 C ATOM 605 O CYS A 39 -0.442 -4.132 -0.956 1.00 0.00 O ATOM 606 CB CYS A 39 -1.616 -1.329 0.076 1.00 0.00 C ATOM 607 SG CYS A 39 -3.347 -1.460 0.628 1.00 0.00 S ATOM 0 H CYS A 39 0.876 -1.507 -0.401 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.860 -2.447 1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.236 -0.341 0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.585 -1.406 -1.011 1.00 0.00 H new ATOM 612 N CYS A 40 -1.924 -4.475 0.702 1.00 0.00 N ATOM 613 CA CYS A 40 -2.329 -5.791 0.228 1.00 0.00 C ATOM 614 C CYS A 40 -3.833 -5.980 0.397 1.00 0.00 C ATOM 615 O CYS A 40 -4.447 -5.374 1.275 1.00 0.00 O ATOM 616 CB CYS A 40 -1.577 -6.888 0.984 1.00 0.00 C ATOM 617 SG CYS A 40 -2.222 -8.568 0.691 1.00 0.00 S ATOM 0 H CYS A 40 -2.400 -4.170 1.551 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.083 -5.862 -0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.526 -6.858 0.696 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.621 -6.674 2.052 1.00 0.00 H new ATOM 622 N ARG A 41 -4.423 -6.819 -0.446 1.00 0.00 N ATOM 623 CA ARG A 41 -5.856 -7.079 -0.380 1.00 0.00 C ATOM 624 C ARG A 41 -6.194 -7.932 0.837 1.00 0.00 C ATOM 625 O ARG A 41 -6.822 -8.983 0.716 1.00 0.00 O ATOM 626 CB ARG A 41 -6.332 -7.774 -1.657 1.00 0.00 C ATOM 627 CG ARG A 41 -6.951 -6.827 -2.671 1.00 0.00 C ATOM 628 CD ARG A 41 -6.085 -6.697 -3.913 1.00 0.00 C ATOM 629 NE ARG A 41 -6.157 -5.359 -4.493 1.00 0.00 N ATOM 630 CZ ARG A 41 -6.868 -5.065 -5.577 1.00 0.00 C ATOM 631 NH1 ARG A 41 -7.564 -6.010 -6.193 1.00 0.00 N ATOM 632 NH2 ARG A 41 -6.883 -3.824 -6.045 1.00 0.00 N ATOM 0 H ARG A 41 -3.933 -7.329 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.371 -6.123 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.487 -8.285 -2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.063 -8.539 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.940 -7.189 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.088 -5.845 -2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.050 -6.927 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.402 -7.431 -4.654 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.633 -4.609 -4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.555 -6.965 -5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.109 -5.782 -7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.349 -3.094 -5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.429 -3.599 -6.877 1.00 0.00 H new ATOM 646 N LYS A 42 -5.771 -7.471 2.008 1.00 0.00 N ATOM 647 CA LYS A 42 -6.025 -8.186 3.251 1.00 0.00 C ATOM 648 C LYS A 42 -5.931 -9.694 3.040 1.00 0.00 C ATOM 649 O LYS A 42 -6.869 -10.408 3.452 1.00 0.00 O ATOM 650 CB LYS A 42 -7.402 -7.821 3.804 1.00 0.00 C ATOM 651 CG LYS A 42 -7.346 -6.999 5.082 1.00 0.00 C ATOM 652 CD LYS A 42 -6.266 -5.931 5.010 1.00 0.00 C ATOM 653 CE LYS A 42 -5.817 -5.497 6.396 1.00 0.00 C ATOM 654 NZ LYS A 42 -6.754 -4.509 7.000 1.00 0.00 N ATOM 655 OXT LYS A 42 -4.921 -10.149 2.462 1.00 0.00 O ATOM 0 H LYS A 42 -5.249 -6.602 2.122 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.263 -7.890 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.952 -7.263 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.962 -8.736 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.314 -6.528 5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.154 -7.656 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.411 -6.314 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.643 -5.068 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.744 -6.371 7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.820 -5.061 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.708 -4.576 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.486 -3.549 6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.724 -4.711 6.683 1.00 0.00 H new