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= -2.8! C(o=-11!,f=-6.4!) USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -3.6! C(o=-8.8!,f=-6.4!) USER MOD Single : A 11 SER OG : rot 173:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.196 F(o=-2.4!,f=-0.2) USER MOD Single : A 18 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.086) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -24:sc= -0.751! 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 38 LYS NZ :NH3+ -118:sc= -9.61! (180deg=-16.6!) USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= -0.647 (180deg=-0.798) USER MOD ----------------------------------------------------------------- ATOM 136 N ASP A 8 -3.187 6.219 1.769 1.00 0.00 N ATOM 137 CA ASP A 8 -2.838 5.186 2.724 1.00 0.00 C ATOM 138 C ASP A 8 -3.431 3.842 2.317 1.00 0.00 C ATOM 139 O ASP A 8 -4.148 3.745 1.321 1.00 0.00 O ATOM 140 CB ASP A 8 -3.348 5.584 4.104 1.00 0.00 C ATOM 141 CG ASP A 8 -4.173 6.856 4.070 1.00 0.00 C ATOM 142 OD1 ASP A 8 -3.709 7.847 3.467 1.00 0.00 O ATOM 143 OD2 ASP A 8 -5.280 6.861 4.646 1.00 0.00 O ATOM 0 HA ASP A 8 -1.753 5.082 2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.951 4.774 4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.501 5.721 4.776 1.00 0.00 H new ATOM 148 N CYS A 9 -3.130 2.811 3.096 1.00 0.00 N ATOM 149 CA CYS A 9 -3.636 1.473 2.822 1.00 0.00 C ATOM 150 C CYS A 9 -4.802 1.134 3.741 1.00 0.00 C ATOM 151 O CYS A 9 -5.842 0.654 3.293 1.00 0.00 O ATOM 152 CB CYS A 9 -2.526 0.437 2.997 1.00 0.00 C ATOM 153 SG CYS A 9 -3.088 -1.283 2.798 1.00 0.00 S ATOM 0 H CYS A 9 -2.537 2.876 3.924 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.987 1.452 1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.737 0.638 2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.086 0.553 3.987 1.00 0.00 H new ATOM 158 N GLU A 10 -4.620 1.379 5.031 1.00 0.00 N ATOM 159 CA GLU A 10 -5.655 1.091 6.016 1.00 0.00 C ATOM 160 C GLU A 10 -6.927 1.890 5.736 1.00 0.00 C ATOM 161 O GLU A 10 -8.034 1.422 5.998 1.00 0.00 O ATOM 162 CB GLU A 10 -5.148 1.400 7.425 1.00 0.00 C ATOM 163 CG GLU A 10 -5.414 0.288 8.426 1.00 0.00 C ATOM 164 CD GLU A 10 -5.964 0.805 9.741 1.00 0.00 C ATOM 165 OE1 GLU A 10 -5.292 1.643 10.377 1.00 0.00 O ATOM 166 OE2 GLU A 10 -7.068 0.373 10.134 1.00 0.00 O ATOM 0 H GLU A 10 -3.765 1.777 5.421 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.896 0.030 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.076 1.590 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.620 2.316 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.120 -0.422 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.488 -0.257 8.613 1.00 0.00 H new ATOM 173 N SER A 11 -6.761 3.096 5.205 1.00 0.00 N ATOM 174 CA SER A 11 -7.898 3.958 4.898 1.00 0.00 C ATOM 175 C SER A 11 -8.709 3.403 3.733 1.00 0.00 C ATOM 176 O SER A 11 -9.875 3.752 3.554 1.00 0.00 O ATOM 177 CB SER A 11 -7.419 5.373 4.572 1.00 0.00 C ATOM 178 OG SER A 11 -8.513 6.231 4.300 1.00 0.00 O ATOM 0 H SER A 11 -5.852 3.499 4.978 1.00 0.00 H new ATOM 0 HA SER A 11 -8.540 3.992 5.778 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.843 5.767 5.409 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.752 5.345 3.711 1.00 0.00 H new ATOM 0 HG SER A 11 -8.192 7.153 4.212 1.00 0.00 H new ATOM 184 N ILE A 12 -8.083 2.541 2.940 1.00 0.00 N ATOM 185 CA ILE A 12 -8.743 1.942 1.790 1.00 0.00 C ATOM 186 C ILE A 12 -9.224 0.531 2.100 1.00 0.00 C ATOM 187 O ILE A 12 -9.777 -0.153 1.240 1.00 0.00 O ATOM 188 CB ILE A 12 -7.801 1.886 0.584 1.00 0.00 C ATOM 189 CG1 ILE A 12 -6.419 1.390 1.008 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.702 3.252 -0.078 1.00 0.00 C ATOM 191 CD1 ILE A 12 -5.632 0.759 -0.119 1.00 0.00 C ATOM 0 H ILE A 12 -7.117 2.242 3.074 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.602 2.571 1.555 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.209 1.183 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.850 2.227 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.534 0.663 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.029 3.194 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.690 3.566 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.316 3.977 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.662 0.430 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.180 -0.098 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.486 1.490 -0.914 1.00 0.00 H new ATOM 203 N ASN A 13 -8.997 0.102 3.332 1.00 0.00 N ATOM 204 CA ASN A 13 -9.395 -1.233 3.766 1.00 0.00 C ATOM 205 C ASN A 13 -8.372 -2.272 3.319 1.00 0.00 C ATOM 206 O ASN A 13 -8.732 -3.355 2.856 1.00 0.00 O ATOM 207 CB ASN A 13 -10.775 -1.585 3.206 1.00 0.00 C ATOM 208 CG ASN A 13 -11.472 -2.658 4.019 1.00 0.00 C ATOM 209 OD1 ASN A 13 -10.693 -3.450 4.747 1.00 0.00 O flip ATOM 210 ND2 ASN A 13 -12.697 -2.774 3.993 1.00 0.00 N flip ATOM 0 H ASN A 13 -8.538 0.659 4.053 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.443 -1.237 4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.395 -0.689 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -10.670 -1.924 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.257 -2.143 3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.152 -3.501 4.545 1.00 0.00 H new ATOM 217 N GLY A 14 -7.096 -1.933 3.464 1.00 0.00 N ATOM 218 CA GLY A 14 -6.034 -2.842 3.077 1.00 0.00 C ATOM 219 C GLY A 14 -5.075 -3.126 4.216 1.00 0.00 C ATOM 220 O GLY A 14 -5.179 -2.527 5.286 1.00 0.00 O ATOM 0 H GLY A 14 -6.778 -1.042 3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.470 -3.779 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.483 -2.417 2.238 1.00 0.00 H new ATOM 224 N VAL A 15 -4.142 -4.043 3.989 1.00 0.00 N ATOM 225 CA VAL A 15 -3.165 -4.404 5.010 1.00 0.00 C ATOM 226 C VAL A 15 -1.770 -3.916 4.639 1.00 0.00 C ATOM 227 O VAL A 15 -1.449 -3.755 3.464 1.00 0.00 O ATOM 228 CB VAL A 15 -3.122 -5.928 5.230 1.00 0.00 C ATOM 229 CG1 VAL A 15 -2.525 -6.627 4.020 1.00 0.00 C ATOM 230 CG2 VAL A 15 -2.340 -6.262 6.490 1.00 0.00 C ATOM 0 H VAL A 15 -4.041 -4.549 3.109 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.480 -3.918 5.933 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.143 -6.287 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.503 -7.703 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.133 -6.415 3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.510 -6.266 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.320 -7.343 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.320 -5.889 6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.819 -5.794 7.350 1.00 0.00 H new ATOM 240 N CYS A 16 -0.944 -3.684 5.653 1.00 0.00 N ATOM 241 CA CYS A 16 0.419 -3.218 5.434 1.00 0.00 C ATOM 242 C CYS A 16 1.418 -4.348 5.645 1.00 0.00 C ATOM 243 O CYS A 16 1.834 -4.621 6.771 1.00 0.00 O ATOM 244 CB CYS A 16 0.740 -2.056 6.373 1.00 0.00 C ATOM 245 SG CYS A 16 0.895 -0.447 5.533 1.00 0.00 S ATOM 0 H CYS A 16 -1.195 -3.811 6.634 1.00 0.00 H new ATOM 0 HA CYS A 16 0.498 -2.874 4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.042 -1.986 7.129 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.671 -2.272 6.897 1.00 0.00 H new ATOM 250 N ARG A 17 1.798 -5.005 4.555 1.00 0.00 N ATOM 251 CA ARG A 17 2.748 -6.109 4.623 1.00 0.00 C ATOM 252 C ARG A 17 4.077 -5.727 3.982 1.00 0.00 C ATOM 253 O ARG A 17 4.373 -4.545 3.802 1.00 0.00 O ATOM 254 CB ARG A 17 2.172 -7.345 3.930 1.00 0.00 C ATOM 255 CG ARG A 17 2.038 -8.548 4.848 1.00 0.00 C ATOM 256 CD ARG A 17 1.881 -9.835 4.055 1.00 0.00 C ATOM 257 NE ARG A 17 0.492 -10.283 4.007 1.00 0.00 N ATOM 258 CZ ARG A 17 0.095 -11.494 4.381 1.00 0.00 C ATOM 259 NH1 ARG A 17 0.980 -12.375 4.828 1.00 0.00 N ATOM 260 NH2 ARG A 17 -1.186 -11.826 4.308 1.00 0.00 N ATOM 0 H ARG A 17 1.463 -4.793 3.615 1.00 0.00 H new ATOM 0 HA ARG A 17 2.926 -6.337 5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.192 -7.099 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.811 -7.610 3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.917 -8.618 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.176 -8.414 5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.248 -9.682 3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.498 -10.614 4.503 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.213 -9.629 3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.967 -12.123 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.674 -13.305 5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.869 -11.151 3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.489 -12.757 4.596 1.00 0.00 H new ATOM 274 N HIS A 18 4.873 -6.734 3.641 1.00 0.00 N ATOM 275 CA HIS A 18 6.170 -6.506 3.022 1.00 0.00 C ATOM 276 C HIS A 18 6.037 -6.411 1.506 1.00 0.00 C ATOM 277 O HIS A 18 5.331 -7.202 0.883 1.00 0.00 O ATOM 278 CB HIS A 18 7.138 -7.631 3.388 1.00 0.00 C ATOM 279 CG HIS A 18 8.358 -7.157 4.114 1.00 0.00 C ATOM 280 ND1 HIS A 18 9.592 -7.760 3.986 1.00 0.00 N ATOM 281 CD2 HIS A 18 8.532 -6.129 4.978 1.00 0.00 C ATOM 282 CE1 HIS A 18 10.471 -7.125 4.740 1.00 0.00 C ATOM 283 NE2 HIS A 18 9.854 -6.131 5.352 1.00 0.00 N ATOM 0 H HIS A 18 4.641 -7.717 3.784 1.00 0.00 H new ATOM 0 HA HIS A 18 6.563 -5.561 3.397 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.617 -8.361 4.008 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.444 -8.147 2.478 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.773 -5.437 5.311 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.517 -7.376 4.839 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.288 -5.472 5.998 1.00 0.00 H new ATOM 292 N LYS A 19 6.724 -5.438 0.924 1.00 0.00 N ATOM 293 CA LYS A 19 6.689 -5.236 -0.519 1.00 0.00 C ATOM 294 C LYS A 19 7.296 -6.429 -1.247 1.00 0.00 C ATOM 295 O LYS A 19 7.407 -6.432 -2.473 1.00 0.00 O ATOM 296 CB LYS A 19 7.442 -3.957 -0.891 1.00 0.00 C ATOM 297 CG LYS A 19 8.079 -3.260 0.299 1.00 0.00 C ATOM 298 CD LYS A 19 8.962 -2.103 -0.139 1.00 0.00 C ATOM 299 CE LYS A 19 9.860 -2.497 -1.299 1.00 0.00 C ATOM 300 NZ LYS A 19 10.688 -1.355 -1.775 1.00 0.00 N ATOM 0 H LYS A 19 7.313 -4.775 1.429 1.00 0.00 H new ATOM 0 HA LYS A 19 5.648 -5.138 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.218 -4.200 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.753 -3.268 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.300 -2.892 0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.672 -3.977 0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.338 -1.258 -0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.574 -1.773 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.512 -3.314 -0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.248 -2.869 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.286 -1.666 -2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.066 -0.584 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.291 -1.016 -0.998 1.00 0.00 H new ATOM 314 N ASP A 20 7.687 -7.443 -0.482 1.00 0.00 N ATOM 315 CA ASP A 20 8.281 -8.646 -1.051 1.00 0.00 C ATOM 316 C ASP A 20 7.616 -9.898 -0.487 1.00 0.00 C ATOM 317 O ASP A 20 8.205 -10.978 -0.483 1.00 0.00 O ATOM 318 CB ASP A 20 9.783 -8.682 -0.768 1.00 0.00 C ATOM 319 CG ASP A 20 10.585 -9.163 -1.962 1.00 0.00 C ATOM 320 OD1 ASP A 20 10.078 -9.057 -3.098 1.00 0.00 O ATOM 321 OD2 ASP A 20 11.719 -9.645 -1.760 1.00 0.00 O ATOM 0 H ASP A 20 7.603 -7.455 0.534 1.00 0.00 H new ATOM 0 HA ASP A 20 8.122 -8.625 -2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.121 -7.685 -0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.974 -9.337 0.082 1.00 0.00 H new ATOM 326 N THR A 21 6.384 -9.742 -0.014 1.00 0.00 N ATOM 327 CA THR A 21 5.636 -10.856 0.550 1.00 0.00 C ATOM 328 C THR A 21 5.728 -12.079 -0.351 1.00 0.00 C ATOM 329 O THR A 21 6.760 -12.748 -0.404 1.00 0.00 O ATOM 330 CB THR A 21 4.172 -10.465 0.751 1.00 0.00 C ATOM 331 OG1 THR A 21 4.057 -9.080 1.027 1.00 0.00 O ATOM 332 CG2 THR A 21 3.501 -11.216 1.879 1.00 0.00 C ATOM 0 H THR A 21 5.883 -8.853 -0.011 1.00 0.00 H new ATOM 0 HA THR A 21 6.073 -11.104 1.517 1.00 0.00 H new ATOM 0 HB THR A 21 3.673 -10.725 -0.182 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.899 -8.751 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.465 -10.890 1.967 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.529 -12.286 1.671 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.025 -11.014 2.813 1.00 0.00 H new ATOM 340 N VAL A 22 4.643 -12.366 -1.058 1.00 0.00 N ATOM 341 CA VAL A 22 4.604 -13.511 -1.952 1.00 0.00 C ATOM 342 C VAL A 22 3.312 -13.545 -2.754 1.00 0.00 C ATOM 343 O VAL A 22 3.322 -13.422 -3.979 1.00 0.00 O ATOM 344 CB VAL A 22 4.759 -14.824 -1.161 1.00 0.00 C ATOM 345 CG1 VAL A 22 3.522 -15.704 -1.289 1.00 0.00 C ATOM 346 CG2 VAL A 22 5.997 -15.569 -1.620 1.00 0.00 C ATOM 0 H VAL A 22 3.781 -11.822 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 22 5.438 -13.411 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 22 4.871 -14.570 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.667 -16.621 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.654 -15.170 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.358 -15.951 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.095 -16.495 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.910 -15.801 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.877 -14.948 -1.455 1.00 0.00 H new ATOM 356 N ASN A 23 2.204 -13.725 -2.053 1.00 0.00 N ATOM 357 CA ASN A 23 0.899 -13.790 -2.687 1.00 0.00 C ATOM 358 C ASN A 23 -0.096 -12.880 -1.976 1.00 0.00 C ATOM 359 O ASN A 23 -1.261 -13.235 -1.797 1.00 0.00 O ATOM 360 CB ASN A 23 0.399 -15.233 -2.673 1.00 0.00 C ATOM 361 CG ASN A 23 -0.092 -15.690 -4.032 1.00 0.00 C ATOM 362 OD1 ASN A 23 -1.257 -15.502 -4.381 1.00 0.00 O ATOM 363 ND2 ASN A 23 0.802 -16.297 -4.806 1.00 0.00 N ATOM 0 H ASN A 23 2.184 -13.829 -1.039 1.00 0.00 H new ATOM 0 HA ASN A 23 0.991 -13.447 -3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.203 -15.890 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.409 -15.327 -1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.533 -16.629 -5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.757 -16.431 -4.474 1.00 0.00 H new ATOM 370 N CYS A 24 0.375 -11.705 -1.569 1.00 0.00 N ATOM 371 CA CYS A 24 -0.469 -10.740 -0.875 1.00 0.00 C ATOM 372 C CYS A 24 -0.744 -9.524 -1.753 1.00 0.00 C ATOM 373 O CYS A 24 -0.282 -8.421 -1.463 1.00 0.00 O ATOM 374 CB CYS A 24 0.196 -10.299 0.430 1.00 0.00 C ATOM 375 SG CYS A 24 -0.975 -9.757 1.716 1.00 0.00 S ATOM 0 H CYS A 24 1.338 -11.399 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.419 -11.223 -0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.790 -11.126 0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.887 -9.483 0.216 1.00 0.00 H new ATOM 380 N ARG A 25 -1.498 -9.733 -2.827 1.00 0.00 N ATOM 381 CA ARG A 25 -1.834 -8.649 -3.744 1.00 0.00 C ATOM 382 C ARG A 25 -1.565 -7.294 -3.100 1.00 0.00 C ATOM 383 O ARG A 25 -1.957 -7.050 -1.958 1.00 0.00 O ATOM 384 CB ARG A 25 -3.301 -8.746 -4.164 1.00 0.00 C ATOM 385 CG ARG A 25 -3.987 -10.018 -3.691 1.00 0.00 C ATOM 386 CD ARG A 25 -3.498 -11.234 -4.461 1.00 0.00 C ATOM 387 NE ARG A 25 -4.565 -12.208 -4.676 1.00 0.00 N ATOM 388 CZ ARG A 25 -4.807 -13.226 -3.856 1.00 0.00 C ATOM 389 NH1 ARG A 25 -4.064 -13.397 -2.772 1.00 0.00 N ATOM 390 NH2 ARG A 25 -5.795 -14.070 -4.119 1.00 0.00 N ATOM 0 H ARG A 25 -1.887 -10.640 -3.084 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.204 -8.743 -4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.841 -7.884 -3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.363 -8.692 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.799 -10.160 -2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.065 -9.918 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.097 -10.917 -5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.681 -11.705 -3.915 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.157 -12.101 -5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.305 -12.747 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.251 -14.179 -2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.370 -13.939 -4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.980 -14.851 -3.489 1.00 0.00 H new ATOM 404 N GLU A 26 -0.893 -6.415 -3.837 1.00 0.00 N ATOM 405 CA GLU A 26 -0.571 -5.084 -3.332 1.00 0.00 C ATOM 406 C GLU A 26 -1.494 -4.030 -3.938 1.00 0.00 C ATOM 407 O GLU A 26 -1.907 -4.142 -5.092 1.00 0.00 O ATOM 408 CB GLU A 26 0.889 -4.740 -3.634 1.00 0.00 C ATOM 409 CG GLU A 26 1.102 -3.291 -4.042 1.00 0.00 C ATOM 410 CD GLU A 26 2.565 -2.897 -4.048 1.00 0.00 C ATOM 411 OE1 GLU A 26 3.314 -3.404 -4.910 1.00 0.00 O ATOM 412 OE2 GLU A 26 2.964 -2.083 -3.189 1.00 0.00 O ATOM 0 H GLU A 26 -0.561 -6.599 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.719 -5.088 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.493 -4.953 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.249 -5.390 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.682 -3.132 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.557 -2.641 -3.358 1.00 0.00 H new ATOM 419 N ILE A 27 -1.816 -3.009 -3.150 1.00 0.00 N ATOM 420 CA ILE A 27 -2.693 -1.937 -3.605 1.00 0.00 C ATOM 421 C ILE A 27 -1.896 -0.694 -3.986 1.00 0.00 C ATOM 422 O ILE A 27 -1.767 0.240 -3.194 1.00 0.00 O ATOM 423 CB ILE A 27 -3.725 -1.557 -2.526 1.00 0.00 C ATOM 424 CG1 ILE A 27 -4.928 -2.497 -2.585 1.00 0.00 C ATOM 425 CG2 ILE A 27 -4.169 -0.112 -2.700 1.00 0.00 C ATOM 426 CD1 ILE A 27 -5.671 -2.608 -1.271 1.00 0.00 C ATOM 0 H ILE A 27 -1.482 -2.902 -2.192 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.217 -2.313 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.256 -1.658 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.616 -2.146 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.590 -3.488 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.898 0.140 -1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.305 0.547 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.622 0.013 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.513 -3.291 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.997 -2.988 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.039 -1.625 -0.977 1.00 0.00 H new ATOM 438 N PHE A 28 -1.371 -0.688 -5.206 1.00 0.00 N ATOM 439 CA PHE A 28 -0.592 0.442 -5.700 1.00 0.00 C ATOM 440 C PHE A 28 -1.224 1.763 -5.278 1.00 0.00 C ATOM 441 O PHE A 28 -0.707 2.471 -4.415 1.00 0.00 O ATOM 442 CB PHE A 28 -0.498 0.384 -7.227 1.00 0.00 C ATOM 443 CG PHE A 28 -0.744 -0.986 -7.792 1.00 0.00 C ATOM 444 CD1 PHE A 28 0.280 -1.915 -7.863 1.00 0.00 C ATOM 445 CD2 PHE A 28 -2.003 -1.342 -8.251 1.00 0.00 C ATOM 446 CE1 PHE A 28 0.053 -3.176 -8.383 1.00 0.00 C ATOM 447 CE2 PHE A 28 -2.235 -2.601 -8.771 1.00 0.00 C ATOM 448 CZ PHE A 28 -1.205 -3.520 -8.836 1.00 0.00 C ATOM 0 H PHE A 28 -1.471 -1.454 -5.872 1.00 0.00 H new ATOM 0 HA PHE A 28 0.408 0.381 -5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.221 1.079 -7.654 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.491 0.723 -7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.266 -1.652 -7.509 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.811 -0.627 -8.202 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.860 -3.892 -8.435 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.220 -2.866 -9.126 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.384 -4.505 -9.240 1.00 0.00 H new ATOM 458 N LEU A 29 -2.347 2.080 -5.907 1.00 0.00 N ATOM 459 CA LEU A 29 -3.080 3.310 -5.627 1.00 0.00 C ATOM 460 C LEU A 29 -2.759 3.865 -4.243 1.00 0.00 C ATOM 461 O LEU A 29 -2.519 5.062 -4.086 1.00 0.00 O ATOM 462 CB LEU A 29 -4.578 3.049 -5.745 1.00 0.00 C ATOM 463 CG LEU A 29 -5.053 2.673 -7.149 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.822 1.361 -7.120 1.00 0.00 C ATOM 465 CD2 LEU A 29 -5.908 3.784 -7.738 1.00 0.00 C ATOM 0 H LEU A 29 -2.776 1.495 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.771 4.056 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.848 2.247 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.115 3.941 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.177 2.541 -7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.152 1.110 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.176 0.569 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.690 1.463 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.237 3.499 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.778 3.949 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.322 4.701 -7.797 1.00 0.00 H new ATOM 477 N ALA A 30 -2.773 2.996 -3.240 1.00 0.00 N ATOM 478 CA ALA A 30 -2.500 3.413 -1.869 1.00 0.00 C ATOM 479 C ALA A 30 -1.057 3.122 -1.469 1.00 0.00 C ATOM 480 O ALA A 30 -0.270 2.611 -2.267 1.00 0.00 O ATOM 481 CB ALA A 30 -3.459 2.725 -0.910 1.00 0.00 C ATOM 0 H ALA A 30 -2.970 2.001 -3.349 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.649 4.491 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.245 3.044 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.484 2.992 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.336 1.645 -0.985 1.00 0.00 H new ATOM 487 N ASP A 31 -0.719 3.458 -0.227 1.00 0.00 N ATOM 488 CA ASP A 31 0.629 3.243 0.290 1.00 0.00 C ATOM 489 C ASP A 31 0.589 2.707 1.713 1.00 0.00 C ATOM 490 O ASP A 31 -0.484 2.526 2.289 1.00 0.00 O ATOM 491 CB ASP A 31 1.427 4.547 0.248 1.00 0.00 C ATOM 492 CG ASP A 31 1.957 4.859 -1.137 1.00 0.00 C ATOM 493 OD1 ASP A 31 1.138 5.005 -2.068 1.00 0.00 O ATOM 494 OD2 ASP A 31 3.193 4.958 -1.292 1.00 0.00 O ATOM 0 H ASP A 31 -1.362 3.881 0.442 1.00 0.00 H new ATOM 0 HA ASP A 31 1.118 2.503 -0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.794 5.368 0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.261 4.481 0.946 1.00 0.00 H new ATOM 499 N CYS A 32 1.765 2.460 2.279 1.00 0.00 N ATOM 500 CA CYS A 32 1.859 1.952 3.636 1.00 0.00 C ATOM 501 C CYS A 32 2.164 3.084 4.603 1.00 0.00 C ATOM 502 O CYS A 32 1.701 4.210 4.422 1.00 0.00 O ATOM 503 CB CYS A 32 2.942 0.875 3.736 1.00 0.00 C ATOM 504 SG CYS A 32 2.296 -0.787 4.103 1.00 0.00 S ATOM 0 H CYS A 32 2.663 2.604 1.817 1.00 0.00 H new ATOM 0 HA CYS A 32 0.900 1.507 3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.494 0.840 2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.652 1.158 4.513 1.00 0.00 H new ATOM 509 N TYR A 33 2.933 2.776 5.634 1.00 0.00 N ATOM 510 CA TYR A 33 3.287 3.758 6.634 1.00 0.00 C ATOM 511 C TYR A 33 4.654 3.449 7.224 1.00 0.00 C ATOM 512 O TYR A 33 5.216 4.239 7.984 1.00 0.00 O ATOM 513 CB TYR A 33 2.235 3.745 7.726 1.00 0.00 C ATOM 514 CG TYR A 33 1.191 4.826 7.574 1.00 0.00 C ATOM 515 CD1 TYR A 33 1.407 6.102 8.074 1.00 0.00 C ATOM 516 CD2 TYR A 33 -0.013 4.568 6.927 1.00 0.00 C ATOM 517 CE1 TYR A 33 0.454 7.093 7.938 1.00 0.00 C ATOM 518 CE2 TYR A 33 -0.971 5.553 6.788 1.00 0.00 C ATOM 519 CZ TYR A 33 -0.734 6.813 7.294 1.00 0.00 C ATOM 520 OH TYR A 33 -1.686 7.797 7.157 1.00 0.00 O ATOM 0 H TYR A 33 3.324 1.848 5.797 1.00 0.00 H new ATOM 0 HA TYR A 33 3.331 4.745 6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.741 2.773 7.732 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.726 3.859 8.693 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.336 6.324 8.578 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.202 3.583 6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.638 8.081 8.333 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.902 5.337 6.285 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.462 7.437 6.679 1.00 0.00 H new ATOM 530 N ASN A 34 5.172 2.283 6.872 1.00 0.00 N ATOM 531 CA ASN A 34 6.463 1.829 7.354 1.00 0.00 C ATOM 532 C ASN A 34 7.585 2.288 6.432 1.00 0.00 C ATOM 533 O ASN A 34 8.753 2.314 6.821 1.00 0.00 O ATOM 534 CB ASN A 34 6.458 0.306 7.435 1.00 0.00 C ATOM 535 CG ASN A 34 5.898 -0.207 8.743 1.00 0.00 C ATOM 536 OD1 ASN A 34 4.751 -0.870 8.668 1.00 0.00 O flip ATOM 537 ND2 ASN A 34 6.487 -0.012 9.805 1.00 0.00 N flip ATOM 0 H ASN A 34 4.708 1.626 6.244 1.00 0.00 H new ATOM 0 HA ASN A 34 6.637 2.258 8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.870 -0.096 6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.476 -0.064 7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.367 0.504 9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.095 -0.366 10.678 1.00 0.00 H new ATOM 544 N ASP A 35 7.221 2.637 5.207 1.00 0.00 N ATOM 545 CA ASP A 35 8.193 3.085 4.218 1.00 0.00 C ATOM 546 C ASP A 35 8.785 1.888 3.483 1.00 0.00 C ATOM 547 O ASP A 35 9.285 2.014 2.367 1.00 0.00 O ATOM 548 CB ASP A 35 9.306 3.892 4.888 1.00 0.00 C ATOM 549 CG ASP A 35 9.468 5.270 4.277 1.00 0.00 C ATOM 550 OD1 ASP A 35 8.477 5.797 3.729 1.00 0.00 O ATOM 551 OD2 ASP A 35 10.586 5.823 4.346 1.00 0.00 O ATOM 0 H ASP A 35 6.258 2.619 4.872 1.00 0.00 H new ATOM 0 HA ASP A 35 7.684 3.726 3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.089 3.992 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.247 3.348 4.805 1.00 0.00 H new ATOM 556 N GLY A 36 8.712 0.726 4.122 1.00 0.00 N ATOM 557 CA GLY A 36 9.231 -0.487 3.522 1.00 0.00 C ATOM 558 C GLY A 36 8.138 -1.500 3.253 1.00 0.00 C ATOM 559 O GLY A 36 8.384 -2.547 2.653 1.00 0.00 O ATOM 0 H GLY A 36 8.301 0.603 5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.736 -0.242 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.978 -0.927 4.182 1.00 0.00 H new ATOM 563 N GLN A 37 6.925 -1.186 3.697 1.00 0.00 N ATOM 564 CA GLN A 37 5.786 -2.071 3.501 1.00 0.00 C ATOM 565 C GLN A 37 4.816 -1.485 2.482 1.00 0.00 C ATOM 566 O GLN A 37 4.781 -0.274 2.268 1.00 0.00 O ATOM 567 CB GLN A 37 5.060 -2.308 4.828 1.00 0.00 C ATOM 568 CG GLN A 37 5.988 -2.661 5.978 1.00 0.00 C ATOM 569 CD GLN A 37 5.234 -3.086 7.223 1.00 0.00 C ATOM 570 OE1 GLN A 37 3.929 -3.291 7.083 1.00 0.00 O flip ATOM 571 NE2 GLN A 37 5.816 -3.227 8.299 1.00 0.00 N flip ATOM 0 H GLN A 37 6.707 -0.323 4.196 1.00 0.00 H new ATOM 0 HA GLN A 37 6.159 -3.023 3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.497 -1.412 5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.336 -3.112 4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.655 -3.466 5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.614 -1.800 6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.820 -3.059 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.294 -3.512 9.128 1.00 0.00 H new ATOM 580 N LYS A 38 4.029 -2.353 1.861 1.00 0.00 N ATOM 581 CA LYS A 38 3.053 -1.924 0.867 1.00 0.00 C ATOM 582 C LYS A 38 1.652 -2.372 1.264 1.00 0.00 C ATOM 583 O LYS A 38 1.464 -3.009 2.301 1.00 0.00 O ATOM 584 CB LYS A 38 3.413 -2.486 -0.509 1.00 0.00 C ATOM 585 CG LYS A 38 4.251 -3.753 -0.449 1.00 0.00 C ATOM 586 CD LYS A 38 3.598 -4.890 -1.220 1.00 0.00 C ATOM 587 CE LYS A 38 4.146 -4.989 -2.634 1.00 0.00 C ATOM 588 NZ LYS A 38 3.231 -5.748 -3.531 1.00 0.00 N ATOM 0 H LYS A 38 4.047 -3.359 2.028 1.00 0.00 H new ATOM 0 HA LYS A 38 3.070 -0.835 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.495 -2.693 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.957 -1.727 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.241 -3.555 -0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.390 -4.050 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.767 -5.831 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.520 -4.735 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.299 -3.987 -3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.121 -5.476 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.715 -6.599 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.380 -6.027 -3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.958 -5.149 -4.336 1.00 0.00 H new ATOM 602 N CYS A 39 0.671 -2.037 0.434 1.00 0.00 N ATOM 603 CA CYS A 39 -0.710 -2.406 0.704 1.00 0.00 C ATOM 604 C CYS A 39 -1.036 -3.771 0.111 1.00 0.00 C ATOM 605 O CYS A 39 -0.448 -4.181 -0.889 1.00 0.00 O ATOM 606 CB CYS A 39 -1.664 -1.357 0.133 1.00 0.00 C ATOM 607 SG CYS A 39 -3.357 -1.463 0.796 1.00 0.00 S ATOM 0 H CYS A 39 0.808 -1.512 -0.429 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.837 -2.456 1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.264 -0.365 0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.701 -1.465 -0.951 1.00 0.00 H new ATOM 612 N CYS A 40 -1.978 -4.467 0.734 1.00 0.00 N ATOM 613 CA CYS A 40 -2.388 -5.784 0.272 1.00 0.00 C ATOM 614 C CYS A 40 -3.900 -5.937 0.380 1.00 0.00 C ATOM 615 O CYS A 40 -4.541 -5.286 1.206 1.00 0.00 O ATOM 616 CB CYS A 40 -1.693 -6.877 1.085 1.00 0.00 C ATOM 617 SG CYS A 40 -2.276 -8.564 0.715 1.00 0.00 S ATOM 0 H CYS A 40 -2.473 -4.139 1.563 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.097 -5.887 -0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.620 -6.826 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.843 -6.677 2.146 1.00 0.00 H new ATOM 622 N ARG A 41 -4.469 -6.796 -0.458 1.00 0.00 N ATOM 623 CA ARG A 41 -5.908 -7.024 -0.447 1.00 0.00 C ATOM 624 C ARG A 41 -6.324 -7.765 0.815 1.00 0.00 C ATOM 625 O ARG A 41 -7.225 -8.604 0.791 1.00 0.00 O ATOM 626 CB ARG A 41 -6.336 -7.809 -1.687 1.00 0.00 C ATOM 627 CG ARG A 41 -6.529 -6.941 -2.921 1.00 0.00 C ATOM 628 CD ARG A 41 -6.458 -7.765 -4.197 1.00 0.00 C ATOM 629 NE ARG A 41 -5.498 -7.215 -5.151 1.00 0.00 N ATOM 630 CZ ARG A 41 -5.789 -6.958 -6.421 1.00 0.00 C ATOM 631 NH1 ARG A 41 -7.006 -7.198 -6.887 1.00 0.00 N ATOM 632 NH2 ARG A 41 -4.861 -6.458 -7.227 1.00 0.00 N ATOM 0 H ARG A 41 -3.958 -7.344 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.407 -6.055 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.586 -8.570 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.268 -8.332 -1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.494 -6.437 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.764 -6.165 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.179 -8.790 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.445 -7.805 -4.658 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.552 -7.018 -4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.722 -7.581 -6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.227 -7.000 -7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.924 -6.271 -6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.085 -6.261 -8.202 1.00 0.00 H new ATOM 646 N LYS A 42 -5.658 -7.444 1.917 1.00 0.00 N ATOM 647 CA LYS A 42 -5.950 -8.069 3.197 1.00 0.00 C ATOM 648 C LYS A 42 -5.744 -9.579 3.128 1.00 0.00 C ATOM 649 O LYS A 42 -6.511 -10.247 2.406 1.00 0.00 O ATOM 650 CB LYS A 42 -7.383 -7.754 3.628 1.00 0.00 C ATOM 651 CG LYS A 42 -7.465 -6.856 4.853 1.00 0.00 C ATOM 652 CD LYS A 42 -6.501 -5.686 4.750 1.00 0.00 C ATOM 653 CE LYS A 42 -6.321 -4.992 6.091 1.00 0.00 C ATOM 654 NZ LYS A 42 -6.925 -5.774 7.205 1.00 0.00 N ATOM 655 OXT LYS A 42 -4.816 -10.080 3.799 1.00 0.00 O ATOM 0 H LYS A 42 -4.910 -6.752 1.948 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.260 -7.663 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.906 -7.275 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.905 -8.688 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.483 -6.482 4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.240 -7.437 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.535 -6.040 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.872 -4.971 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.258 -4.845 6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.777 -4.003 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.737 -5.294 8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.952 -5.849 7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.508 -6.727 7.226 1.00 0.00 H new