USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 323 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= -0.568 (180deg=-1.44) USER MOD Single : A 13 SER OG : rot -23:sc= 0.578 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -0.0728 (180deg=-0.319) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -12.765 -2.818 -5.439 1.00 0.00 N ATOM 126 CA ASP A 9 -13.883 -2.257 -4.690 1.00 0.00 C ATOM 127 C ASP A 9 -13.590 -0.819 -4.273 1.00 0.00 C ATOM 128 O ASP A 9 -14.502 -0.006 -4.123 1.00 0.00 O ATOM 129 CB ASP A 9 -14.177 -3.110 -3.455 1.00 0.00 C ATOM 130 CG ASP A 9 -15.338 -4.060 -3.671 1.00 0.00 C ATOM 131 OD1 ASP A 9 -16.498 -3.623 -3.524 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.086 -5.242 -3.986 1.00 0.00 O ATOM 0 HA ASP A 9 -14.759 -2.257 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.287 -3.682 -3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.398 -2.457 -2.610 1.00 0.00 H new ATOM 137 N LYS A 10 -12.311 -0.512 -4.084 1.00 0.00 N ATOM 138 CA LYS A 10 -11.896 0.827 -3.684 1.00 0.00 C ATOM 139 C LYS A 10 -11.953 1.790 -4.866 1.00 0.00 C ATOM 140 O LYS A 10 -12.555 2.861 -4.777 1.00 0.00 O ATOM 141 CB LYS A 10 -10.478 0.793 -3.109 1.00 0.00 C ATOM 142 CG LYS A 10 -10.232 1.840 -2.035 1.00 0.00 C ATOM 143 CD LYS A 10 -9.081 1.446 -1.126 1.00 0.00 C ATOM 144 CE LYS A 10 -9.397 1.739 0.333 1.00 0.00 C ATOM 145 NZ LYS A 10 -9.977 0.554 1.024 1.00 0.00 N ATOM 0 H LYS A 10 -11.543 -1.173 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.585 1.180 -2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.288 -0.196 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.763 0.940 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.014 2.800 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.136 1.973 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.868 0.384 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.182 1.987 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.487 2.049 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.097 2.573 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.178 0.794 2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.859 0.273 0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.299 -0.234 0.990 1.00 0.00 H new ATOM 159 N ILE A 11 -11.324 1.403 -5.970 1.00 0.00 N ATOM 160 CA ILE A 11 -11.307 2.231 -7.169 1.00 0.00 C ATOM 161 C ILE A 11 -12.703 2.361 -7.768 1.00 0.00 C ATOM 162 O ILE A 11 -13.068 3.410 -8.300 1.00 0.00 O ATOM 163 CB ILE A 11 -10.354 1.658 -8.236 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.739 0.217 -8.573 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.914 1.728 -7.751 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.769 0.109 -9.676 1.00 0.00 C ATOM 0 H ILE A 11 -10.819 0.521 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.951 3.216 -6.867 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.442 2.259 -9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.844 -0.330 -8.868 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.127 -0.266 -7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.252 1.320 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.646 2.766 -7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.810 1.148 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.994 -0.941 -9.862 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.679 0.628 -9.376 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.376 0.563 -10.586 1.00 0.00 H new ATOM 178 N LYS A 12 -13.482 1.288 -7.678 1.00 0.00 N ATOM 179 CA LYS A 12 -14.840 1.281 -8.207 1.00 0.00 C ATOM 180 C LYS A 12 -15.770 2.113 -7.330 1.00 0.00 C ATOM 181 O LYS A 12 -16.767 2.656 -7.807 1.00 0.00 O ATOM 182 CB LYS A 12 -15.364 -0.154 -8.306 1.00 0.00 C ATOM 183 CG LYS A 12 -16.846 -0.240 -8.626 1.00 0.00 C ATOM 184 CD LYS A 12 -17.654 -0.669 -7.412 1.00 0.00 C ATOM 185 CE LYS A 12 -18.775 0.315 -7.113 1.00 0.00 C ATOM 186 NZ LYS A 12 -20.097 -0.193 -7.575 1.00 0.00 N ATOM 0 H LYS A 12 -13.195 0.411 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.817 1.723 -9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.803 -0.684 -9.076 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.174 -0.667 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.201 0.729 -8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.003 -0.950 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.074 -1.660 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.997 -0.748 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.814 0.506 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.562 1.267 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.852 0.224 -6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.242 0.071 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.122 -1.229 -7.484 1.00 0.00 H new ATOM 200 N SER A 13 -15.437 2.211 -6.047 1.00 0.00 N ATOM 201 CA SER A 13 -16.244 2.975 -5.104 1.00 0.00 C ATOM 202 C SER A 13 -15.766 4.422 -5.028 1.00 0.00 C ATOM 203 O SER A 13 -16.528 5.323 -4.675 1.00 0.00 O ATOM 204 CB SER A 13 -16.188 2.335 -3.716 1.00 0.00 C ATOM 205 OG SER A 13 -14.896 2.464 -3.146 1.00 0.00 O ATOM 0 H SER A 13 -14.613 1.771 -5.637 1.00 0.00 H new ATOM 0 HA SER A 13 -17.275 2.968 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.925 2.806 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.454 1.280 -3.787 1.00 0.00 H new ATOM 0 HG SER A 13 -14.235 2.590 -3.859 1.00 0.00 H new ATOM 211 N LYS A 14 -14.498 4.638 -5.362 1.00 0.00 N ATOM 212 CA LYS A 14 -13.916 5.975 -5.334 1.00 0.00 C ATOM 213 C LYS A 14 -14.630 6.900 -6.314 1.00 0.00 C ATOM 214 O LYS A 14 -15.325 7.832 -5.908 1.00 0.00 O ATOM 215 CB LYS A 14 -12.424 5.911 -5.671 1.00 0.00 C ATOM 216 CG LYS A 14 -11.602 6.997 -5.000 1.00 0.00 C ATOM 217 CD LYS A 14 -12.168 8.379 -5.281 1.00 0.00 C ATOM 218 CE LYS A 14 -12.147 8.697 -6.769 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.238 9.834 -7.080 1.00 0.00 N ATOM 0 H LYS A 14 -13.853 3.904 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.038 6.376 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.035 4.937 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.300 5.989 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.579 6.824 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.572 6.946 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.191 8.437 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.590 9.127 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.828 7.815 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.156 8.937 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.252 10.019 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.556 10.683 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.270 9.595 -6.784 1.00 0.00 H new ATOM 233 N ILE A 15 -14.455 6.636 -7.605 1.00 0.00 N ATOM 234 CA ILE A 15 -15.085 7.444 -8.642 1.00 0.00 C ATOM 235 C ILE A 15 -16.603 7.439 -8.496 1.00 0.00 C ATOM 236 O ILE A 15 -17.257 8.468 -8.667 1.00 0.00 O ATOM 237 CB ILE A 15 -14.713 6.943 -10.050 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.200 6.745 -10.162 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.205 7.920 -11.107 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.795 5.308 -10.406 1.00 0.00 C ATOM 0 H ILE A 15 -13.882 5.869 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.714 8.462 -8.519 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.199 5.982 -10.218 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.820 7.364 -10.975 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.727 7.097 -9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.934 7.552 -12.097 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.289 8.015 -11.039 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.745 8.895 -10.944 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.709 5.243 -10.475 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.145 4.686 -9.582 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.239 4.958 -11.338 1.00 0.00 H new ATOM 252 N LEU A 16 -17.157 6.274 -8.178 1.00 0.00 N ATOM 253 CA LEU A 16 -18.599 6.135 -8.007 1.00 0.00 C ATOM 254 C LEU A 16 -19.103 7.034 -6.883 1.00 0.00 C ATOM 255 O LEU A 16 -19.962 7.889 -7.097 1.00 0.00 O ATOM 256 CB LEU A 16 -18.958 4.678 -7.711 1.00 0.00 C ATOM 257 CG LEU A 16 -20.444 4.324 -7.787 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.979 4.563 -9.190 1.00 0.00 C ATOM 259 CD2 LEU A 16 -20.671 2.879 -7.366 1.00 0.00 C ATOM 0 H LEU A 16 -16.630 5.413 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.082 6.441 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.417 4.042 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.597 4.431 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 16 -20.987 4.971 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -22.038 4.306 -9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -20.852 5.613 -9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.431 3.942 -9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -21.734 2.645 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -20.115 2.215 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.327 2.740 -6.341 1.00 0.00 H new ATOM 271 N ASP A 17 -18.563 6.835 -5.686 1.00 0.00 N ATOM 272 CA ASP A 17 -18.955 7.630 -4.528 1.00 0.00 C ATOM 273 C ASP A 17 -18.598 9.099 -4.731 1.00 0.00 C ATOM 274 O ASP A 17 -19.346 9.991 -4.329 1.00 0.00 O ATOM 275 CB ASP A 17 -18.278 7.097 -3.264 1.00 0.00 C ATOM 276 CG ASP A 17 -18.986 7.540 -1.998 1.00 0.00 C ATOM 277 OD1 ASP A 17 -20.234 7.556 -1.991 1.00 0.00 O ATOM 278 OD2 ASP A 17 -18.291 7.872 -1.015 1.00 0.00 O ATOM 0 H ASP A 17 -17.852 6.130 -5.492 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.036 7.551 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.252 6.008 -3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.244 7.439 -3.237 1.00 0.00 H new ATOM 283 N ASP A 18 -17.452 9.343 -5.356 1.00 0.00 N ATOM 284 CA ASP A 18 -16.996 10.704 -5.613 1.00 0.00 C ATOM 285 C ASP A 18 -17.957 11.433 -6.546 1.00 0.00 C ATOM 286 O ASP A 18 -18.480 12.495 -6.209 1.00 0.00 O ATOM 287 CB ASP A 18 -15.591 10.688 -6.218 1.00 0.00 C ATOM 288 CG ASP A 18 -15.121 12.070 -6.627 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.405 12.477 -7.773 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.470 12.745 -5.803 1.00 0.00 O ATOM 0 H ASP A 18 -16.821 8.616 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.968 11.237 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.892 10.269 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.581 10.032 -7.088 1.00 0.00 H new ATOM 295 N ALA A 19 -18.184 10.855 -7.721 1.00 0.00 N ATOM 296 CA ALA A 19 -19.083 11.449 -8.703 1.00 0.00 C ATOM 297 C ALA A 19 -20.475 11.659 -8.117 1.00 0.00 C ATOM 298 O ALA A 19 -21.083 12.714 -8.297 1.00 0.00 O ATOM 299 CB ALA A 19 -19.158 10.575 -9.947 1.00 0.00 C ATOM 0 H ALA A 19 -17.758 9.976 -8.016 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.684 12.424 -8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.833 11.031 -10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.165 10.480 -10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.530 9.587 -9.676 1.00 0.00 H new ATOM 305 N LYS A 20 -20.975 10.647 -7.416 1.00 0.00 N ATOM 306 CA LYS A 20 -22.296 10.719 -6.803 1.00 0.00 C ATOM 307 C LYS A 20 -22.331 11.784 -5.711 1.00 0.00 C ATOM 308 O LYS A 20 -23.318 12.503 -5.563 1.00 0.00 O ATOM 309 CB LYS A 20 -22.685 9.360 -6.218 1.00 0.00 C ATOM 310 CG LYS A 20 -23.584 8.541 -7.128 1.00 0.00 C ATOM 311 CD LYS A 20 -22.826 7.397 -7.779 1.00 0.00 C ATOM 312 CE LYS A 20 -22.112 7.850 -9.044 1.00 0.00 C ATOM 313 NZ LYS A 20 -22.874 7.486 -10.271 1.00 0.00 N ATOM 0 H LYS A 20 -20.485 9.767 -7.258 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.014 10.993 -7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.779 8.791 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.191 9.515 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -24.420 8.144 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -24.005 9.185 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -22.099 6.993 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -23.519 6.591 -8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.968 8.930 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.121 7.397 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.355 7.812 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.990 6.453 -10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -23.810 7.939 -10.245 1.00 0.00 H new ATOM 327 N ALA A 21 -21.246 11.878 -4.948 1.00 0.00 N ATOM 328 CA ALA A 21 -21.152 12.857 -3.872 1.00 0.00 C ATOM 329 C ALA A 21 -21.142 14.279 -4.423 1.00 0.00 C ATOM 330 O ALA A 21 -21.770 15.176 -3.862 1.00 0.00 O ATOM 331 CB ALA A 21 -19.907 12.604 -3.036 1.00 0.00 C ATOM 0 H ALA A 21 -20.421 11.288 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.031 12.748 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.850 13.342 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.956 11.604 -2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.022 12.684 -3.668 1.00 0.00 H new ATOM 337 N GLU A 22 -20.424 14.477 -5.524 1.00 0.00 N ATOM 338 CA GLU A 22 -20.331 15.792 -6.148 1.00 0.00 C ATOM 339 C GLU A 22 -21.709 16.290 -6.573 1.00 0.00 C ATOM 340 O GLU A 22 -22.035 17.465 -6.405 1.00 0.00 O ATOM 341 CB GLU A 22 -19.399 15.740 -7.361 1.00 0.00 C ATOM 342 CG GLU A 22 -18.490 16.952 -7.482 1.00 0.00 C ATOM 343 CD GLU A 22 -17.020 16.589 -7.398 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.527 15.900 -8.316 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.364 16.993 -6.416 1.00 0.00 O ATOM 0 H GLU A 22 -19.899 13.745 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.923 16.487 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.786 14.841 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.999 15.655 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.683 17.453 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.731 17.663 -6.691 1.00 0.00 H new ATOM 352 N ALA A 23 -22.514 15.388 -7.125 1.00 0.00 N ATOM 353 CA ALA A 23 -23.857 15.735 -7.573 1.00 0.00 C ATOM 354 C ALA A 23 -24.833 15.774 -6.402 1.00 0.00 C ATOM 355 O ALA A 23 -25.882 16.412 -6.477 1.00 0.00 O ATOM 356 CB ALA A 23 -24.334 14.747 -8.628 1.00 0.00 C ATOM 0 H ALA A 23 -22.259 14.411 -7.273 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.820 16.731 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.338 15.019 -8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.657 14.771 -9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.349 13.742 -8.205 1.00 0.00 H new ATOM 362 N ASN A 24 -24.481 15.085 -5.321 1.00 0.00 N ATOM 363 CA ASN A 24 -25.328 15.040 -4.134 1.00 0.00 C ATOM 364 C ASN A 24 -25.090 16.261 -3.250 1.00 0.00 C ATOM 365 O ASN A 24 -25.964 16.667 -2.485 1.00 0.00 O ATOM 366 CB ASN A 24 -25.060 13.761 -3.340 1.00 0.00 C ATOM 367 CG ASN A 24 -25.986 12.628 -3.739 1.00 0.00 C ATOM 368 OD1 ASN A 24 -26.568 11.958 -2.887 1.00 0.00 O ATOM 369 ND2 ASN A 24 -26.125 12.409 -5.042 1.00 0.00 N ATOM 0 H ASN A 24 -23.616 14.551 -5.242 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.368 15.046 -4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.026 13.452 -3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.178 13.966 -2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.734 11.660 -5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -25.623 12.990 -5.713 1.00 0.00 H new ATOM 376 N LYS A 25 -23.900 16.842 -3.361 1.00 0.00 N ATOM 377 CA LYS A 25 -23.545 18.017 -2.574 1.00 0.00 C ATOM 378 C LYS A 25 -23.913 19.299 -3.314 1.00 0.00 C ATOM 379 O LYS A 25 -24.076 20.355 -2.702 1.00 0.00 O ATOM 380 CB LYS A 25 -22.048 18.010 -2.255 1.00 0.00 C ATOM 381 CG LYS A 25 -21.738 18.244 -0.787 1.00 0.00 C ATOM 382 CD LYS A 25 -22.271 17.118 0.082 1.00 0.00 C ATOM 383 CE LYS A 25 -21.276 16.730 1.165 1.00 0.00 C ATOM 384 NZ LYS A 25 -21.957 16.334 2.428 1.00 0.00 N ATOM 0 H LYS A 25 -23.165 16.518 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.108 17.983 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.625 17.053 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.555 18.779 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.660 18.330 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.176 19.190 -0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.210 17.426 0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.490 16.250 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.658 15.905 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.607 17.568 1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.245 16.077 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.527 17.130 2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.576 15.518 2.247 1.00 0.00 H new ATOM 398 N ILE A 26 -24.043 19.199 -4.632 1.00 0.00 N ATOM 399 CA ILE A 26 -24.394 20.350 -5.455 1.00 0.00 C ATOM 400 C ILE A 26 -25.905 20.551 -5.502 1.00 0.00 C ATOM 401 O ILE A 26 -26.386 21.668 -5.697 1.00 0.00 O ATOM 402 CB ILE A 26 -23.863 20.198 -6.892 1.00 0.00 C ATOM 403 CG1 ILE A 26 -23.759 21.567 -7.568 1.00 0.00 C ATOM 404 CG2 ILE A 26 -24.764 19.272 -7.695 1.00 0.00 C ATOM 405 CD1 ILE A 26 -22.721 22.472 -6.943 1.00 0.00 C ATOM 0 H ILE A 26 -23.911 18.332 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 26 -23.928 21.221 -4.995 1.00 0.00 H new ATOM 0 HB ILE A 26 -22.867 19.757 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.519 21.426 -8.622 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.731 22.059 -7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.375 19.175 -8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -24.792 18.291 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -25.772 19.686 -7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -22.702 23.424 -7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -22.971 22.644 -5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.740 22.001 -7.009 1.00 0.00 H new ATOM 417 N ILE A 27 -26.647 19.465 -5.319 1.00 0.00 N ATOM 418 CA ILE A 27 -28.104 19.523 -5.338 1.00 0.00 C ATOM 419 C ILE A 27 -28.650 20.047 -4.014 1.00 0.00 C ATOM 420 O ILE A 27 -29.700 20.688 -3.974 1.00 0.00 O ATOM 421 CB ILE A 27 -28.719 18.140 -5.623 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.194 17.109 -4.622 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.411 17.707 -7.048 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.264 16.558 -3.705 1.00 0.00 C ATOM 0 H ILE A 27 -26.264 18.534 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.382 20.207 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.801 18.209 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.735 16.285 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.410 17.567 -4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.852 16.728 -7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.828 18.432 -7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.331 17.650 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.820 15.833 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.707 17.373 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.037 16.071 -4.299 1.00 0.00 H new ATOM 436 N SER A 28 -27.929 19.771 -2.932 1.00 0.00 N ATOM 437 CA SER A 28 -28.342 20.213 -1.605 1.00 0.00 C ATOM 438 C SER A 28 -27.870 21.639 -1.337 1.00 0.00 C ATOM 439 O SER A 28 -28.653 22.495 -0.924 1.00 0.00 O ATOM 440 CB SER A 28 -27.788 19.271 -0.535 1.00 0.00 C ATOM 441 OG SER A 28 -28.763 18.993 0.454 1.00 0.00 O ATOM 0 H SER A 28 -27.056 19.243 -2.948 1.00 0.00 H new ATOM 0 HA SER A 28 -29.431 20.195 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 28 -27.461 18.341 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 28 -26.911 19.720 -0.069 1.00 0.00 H new ATOM 0 HG SER A 28 -28.385 18.388 1.125 1.00 0.00 H new ATOM 447 N GLU A 29 -26.586 21.886 -1.574 1.00 0.00 N ATOM 448 CA GLU A 29 -26.010 23.208 -1.357 1.00 0.00 C ATOM 449 C GLU A 29 -26.676 24.246 -2.255 1.00 0.00 C ATOM 450 O GLU A 29 -26.630 25.444 -1.977 1.00 0.00 O ATOM 451 CB GLU A 29 -24.503 23.181 -1.621 1.00 0.00 C ATOM 452 CG GLU A 29 -23.729 24.227 -0.836 1.00 0.00 C ATOM 453 CD GLU A 29 -23.384 23.766 0.567 1.00 0.00 C ATOM 454 OE1 GLU A 29 -24.290 23.263 1.265 1.00 0.00 O ATOM 455 OE2 GLU A 29 -22.210 23.909 0.968 1.00 0.00 O ATOM 0 H GLU A 29 -25.925 21.189 -1.916 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.185 23.486 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.117 22.193 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.326 23.334 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -22.811 24.471 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -24.318 25.143 -0.779 1.00 0.00 H new ATOM 462 N ALA A 30 -27.295 23.777 -3.334 1.00 0.00 N ATOM 463 CA ALA A 30 -27.972 24.663 -4.272 1.00 0.00 C ATOM 464 C ALA A 30 -29.340 25.081 -3.743 1.00 0.00 C ATOM 465 O ALA A 30 -29.545 26.236 -3.372 1.00 0.00 O ATOM 466 CB ALA A 30 -28.113 23.988 -5.628 1.00 0.00 C ATOM 0 H ALA A 30 -27.341 22.788 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.365 25.561 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.621 24.661 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.125 23.745 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.695 23.073 -5.520 1.00 0.00 H new ATOM 472 N GLU A 31 -30.272 24.133 -3.711 1.00 0.00 N ATOM 473 CA GLU A 31 -31.621 24.406 -3.228 1.00 0.00 C ATOM 474 C GLU A 31 -31.584 25.046 -1.843 1.00 0.00 C ATOM 475 O GLU A 31 -32.484 25.799 -1.473 1.00 0.00 O ATOM 476 CB GLU A 31 -32.441 23.114 -3.184 1.00 0.00 C ATOM 477 CG GLU A 31 -31.767 21.992 -2.414 1.00 0.00 C ATOM 478 CD GLU A 31 -32.480 21.663 -1.117 1.00 0.00 C ATOM 479 OE1 GLU A 31 -33.459 20.888 -1.157 1.00 0.00 O ATOM 480 OE2 GLU A 31 -32.060 22.182 -0.061 1.00 0.00 O ATOM 0 H GLU A 31 -30.118 23.171 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.093 25.105 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.410 23.324 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -32.632 22.780 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.728 21.100 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -30.737 22.274 -2.196 1.00 0.00 H new ATOM 487 N ALA A 32 -30.538 24.739 -1.084 1.00 0.00 N ATOM 488 CA ALA A 32 -30.383 25.284 0.259 1.00 0.00 C ATOM 489 C ALA A 32 -30.179 26.795 0.218 1.00 0.00 C ATOM 490 O ALA A 32 -31.036 27.558 0.664 1.00 0.00 O ATOM 491 CB ALA A 32 -29.218 24.612 0.970 1.00 0.00 C ATOM 0 H ALA A 32 -29.785 24.116 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.299 25.082 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.114 25.029 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.404 23.540 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.300 24.785 0.408 1.00 0.00 H new ATOM 497 N GLU A 33 -29.040 27.220 -0.320 1.00 0.00 N ATOM 498 CA GLU A 33 -28.725 28.640 -0.417 1.00 0.00 C ATOM 499 C GLU A 33 -29.722 29.358 -1.323 1.00 0.00 C ATOM 500 O GLU A 33 -29.966 30.555 -1.171 1.00 0.00 O ATOM 501 CB GLU A 33 -27.304 28.834 -0.950 1.00 0.00 C ATOM 502 CG GLU A 33 -26.228 28.283 -0.030 1.00 0.00 C ATOM 503 CD GLU A 33 -25.012 29.186 0.052 1.00 0.00 C ATOM 504 OE1 GLU A 33 -25.193 30.418 0.148 1.00 0.00 O ATOM 505 OE2 GLU A 33 -23.880 28.660 0.021 1.00 0.00 O ATOM 0 H GLU A 33 -28.321 26.601 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 33 -28.793 29.070 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.221 28.350 -1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.126 29.898 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.643 28.148 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -25.922 27.299 -0.384 1.00 0.00 H new ATOM 512 N LYS A 34 -30.295 28.618 -2.265 1.00 0.00 N ATOM 513 CA LYS A 34 -31.267 29.180 -3.195 1.00 0.00 C ATOM 514 C LYS A 34 -32.595 29.454 -2.496 1.00 0.00 C ATOM 515 O LYS A 34 -33.076 30.586 -2.478 1.00 0.00 O ATOM 516 CB LYS A 34 -31.485 28.230 -4.374 1.00 0.00 C ATOM 517 CG LYS A 34 -32.363 28.810 -5.469 1.00 0.00 C ATOM 518 CD LYS A 34 -31.822 28.481 -6.851 1.00 0.00 C ATOM 519 CE LYS A 34 -32.322 27.130 -7.338 1.00 0.00 C ATOM 520 NZ LYS A 34 -31.957 26.883 -8.761 1.00 0.00 N ATOM 0 H LYS A 34 -30.103 27.626 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 34 -30.871 30.125 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.517 27.964 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.937 27.308 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -33.375 28.418 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -32.427 29.892 -5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -32.123 29.257 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -30.732 28.479 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -31.903 26.341 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -33.405 27.082 -7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -32.316 25.952 -9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -32.378 27.621 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -30.922 26.903 -8.862 1.00 0.00 H new ATOM 534 N ALA A 35 -33.181 28.409 -1.921 1.00 0.00 N ATOM 535 CA ALA A 35 -34.452 28.538 -1.218 1.00 0.00 C ATOM 536 C ALA A 35 -34.339 29.521 -0.057 1.00 0.00 C ATOM 537 O ALA A 35 -35.345 30.025 0.442 1.00 0.00 O ATOM 538 CB ALA A 35 -34.918 27.178 -0.718 1.00 0.00 C ATOM 0 H ALA A 35 -32.796 27.464 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.190 28.928 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -35.868 27.289 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.046 26.503 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.174 26.767 -0.036 1.00 0.00 H new ATOM 544 N LYS A 36 -33.109 29.788 0.368 1.00 0.00 N ATOM 545 CA LYS A 36 -32.865 30.712 1.470 1.00 0.00 C ATOM 546 C LYS A 36 -32.862 32.156 0.979 1.00 0.00 C ATOM 547 O LYS A 36 -33.519 33.020 1.561 1.00 0.00 O ATOM 548 CB LYS A 36 -31.530 30.389 2.145 1.00 0.00 C ATOM 549 CG LYS A 36 -31.239 31.252 3.361 1.00 0.00 C ATOM 550 CD LYS A 36 -30.330 32.418 3.013 1.00 0.00 C ATOM 551 CE LYS A 36 -28.907 31.954 2.742 1.00 0.00 C ATOM 552 NZ LYS A 36 -28.149 31.724 4.004 1.00 0.00 N ATOM 0 H LYS A 36 -32.266 29.378 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.671 30.595 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.528 29.341 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.726 30.515 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -32.175 31.630 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -30.772 30.644 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.719 32.934 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.330 33.137 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -28.930 31.033 2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.390 32.700 2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.184 31.409 3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -28.105 32.609 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -28.628 30.993 4.568 1.00 0.00 H new ATOM 566 N ILE A 37 -32.122 32.410 -0.095 1.00 0.00 N ATOM 567 CA ILE A 37 -32.037 33.749 -0.664 1.00 0.00 C ATOM 568 C ILE A 37 -33.312 34.106 -1.420 1.00 0.00 C ATOM 569 O ILE A 37 -33.702 35.273 -1.486 1.00 0.00 O ATOM 570 CB ILE A 37 -30.835 33.881 -1.617 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.035 32.998 -2.851 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.546 33.511 -0.898 1.00 0.00 C ATOM 573 CD1 ILE A 37 -29.890 33.069 -3.837 1.00 0.00 C ATOM 0 H ILE A 37 -31.573 31.706 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.906 34.438 0.170 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.761 34.918 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -31.164 31.964 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -31.956 33.294 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.705 33.609 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.400 34.177 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.608 32.481 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.100 32.418 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -29.774 34.095 -4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -28.970 32.745 -3.350 1.00 0.00 H new ATOM 585 N LEU A 38 -33.960 33.095 -1.988 1.00 0.00 N ATOM 586 CA LEU A 38 -35.194 33.301 -2.739 1.00 0.00 C ATOM 587 C LEU A 38 -36.314 33.783 -1.823 1.00 0.00 C ATOM 588 O LEU A 38 -37.137 34.610 -2.216 1.00 0.00 O ATOM 589 CB LEU A 38 -35.612 32.006 -3.437 1.00 0.00 C ATOM 590 CG LEU A 38 -35.112 31.826 -4.871 1.00 0.00 C ATOM 591 CD1 LEU A 38 -33.705 32.384 -5.021 1.00 0.00 C ATOM 592 CD2 LEU A 38 -35.150 30.357 -5.268 1.00 0.00 C ATOM 0 H LEU A 38 -33.651 32.124 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.009 34.068 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.257 31.165 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.701 31.955 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.773 32.380 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -33.367 32.247 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -33.707 33.447 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -33.031 31.859 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -34.791 30.247 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -34.513 29.782 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -36.174 29.988 -5.201 1.00 0.00 H new ATOM 604 N GLU A 39 -36.338 33.262 -0.600 1.00 0.00 N ATOM 605 CA GLU A 39 -37.357 33.641 0.372 1.00 0.00 C ATOM 606 C GLU A 39 -36.897 34.834 1.205 1.00 0.00 C ATOM 607 O GLU A 39 -37.710 35.645 1.651 1.00 0.00 O ATOM 608 CB GLU A 39 -37.683 32.460 1.288 1.00 0.00 C ATOM 609 CG GLU A 39 -38.851 31.618 0.803 1.00 0.00 C ATOM 610 CD GLU A 39 -39.291 30.587 1.825 1.00 0.00 C ATOM 611 OE1 GLU A 39 -39.466 30.959 3.004 1.00 0.00 O ATOM 612 OE2 GLU A 39 -39.461 29.410 1.446 1.00 0.00 O ATOM 0 H GLU A 39 -35.664 32.577 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.256 33.927 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -36.801 31.826 1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.907 32.836 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -39.691 32.271 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -38.570 31.112 -0.121 1.00 0.00 H new ATOM 619 N LYS A 40 -35.589 34.935 1.412 1.00 0.00 N ATOM 620 CA LYS A 40 -35.019 36.028 2.191 1.00 0.00 C ATOM 621 C LYS A 40 -35.003 37.321 1.383 1.00 0.00 C ATOM 622 O LYS A 40 -35.409 38.375 1.872 1.00 0.00 O ATOM 623 CB LYS A 40 -33.598 35.676 2.637 1.00 0.00 C ATOM 624 CG LYS A 40 -32.931 36.766 3.458 1.00 0.00 C ATOM 625 CD LYS A 40 -32.436 36.235 4.793 1.00 0.00 C ATOM 626 CE LYS A 40 -32.125 37.365 5.762 1.00 0.00 C ATOM 627 NZ LYS A 40 -32.796 37.169 7.077 1.00 0.00 N ATOM 0 H LYS A 40 -34.903 34.273 1.051 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.644 36.178 3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.627 34.758 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.989 35.473 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.094 37.183 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.637 37.578 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -33.191 35.579 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -31.542 35.632 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -31.047 37.430 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -32.445 38.313 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -32.559 37.960 7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -33.826 37.133 6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -32.472 36.277 7.502 1.00 0.00 H new ATOM 641 N ALA A 41 -34.533 37.233 0.143 1.00 0.00 N ATOM 642 CA ALA A 41 -34.468 38.396 -0.734 1.00 0.00 C ATOM 643 C ALA A 41 -35.865 38.859 -1.135 1.00 0.00 C ATOM 644 O ALA A 41 -36.220 40.024 -0.953 1.00 0.00 O ATOM 645 CB ALA A 41 -33.640 38.080 -1.970 1.00 0.00 C ATOM 0 H ALA A 41 -34.192 36.368 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.987 39.207 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.600 38.957 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.629 37.804 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.096 37.252 -2.512 1.00 0.00 H new ATOM 651 N LYS A 42 -36.653 37.941 -1.683 1.00 0.00 N ATOM 652 CA LYS A 42 -38.012 38.254 -2.110 1.00 0.00 C ATOM 653 C LYS A 42 -38.814 38.866 -0.966 1.00 0.00 C ATOM 654 O LYS A 42 -39.731 39.655 -1.192 1.00 0.00 O ATOM 655 CB LYS A 42 -38.712 36.993 -2.620 1.00 0.00 C ATOM 656 CG LYS A 42 -40.091 37.255 -3.201 1.00 0.00 C ATOM 657 CD LYS A 42 -40.007 37.998 -4.523 1.00 0.00 C ATOM 658 CE LYS A 42 -40.469 39.440 -4.382 1.00 0.00 C ATOM 659 NZ LYS A 42 -40.586 40.117 -5.704 1.00 0.00 N ATOM 0 H LYS A 42 -36.374 36.973 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.953 38.982 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.089 36.525 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.802 36.281 -1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -40.611 36.308 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -40.681 37.837 -2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -38.980 37.978 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -40.620 37.489 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -41.434 39.464 -3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -39.765 39.987 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -40.903 41.098 -5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -39.660 40.117 -6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -41.277 39.610 -6.294 1.00 0.00 H new ATOM 673 N GLU A 43 -38.461 38.498 0.262 1.00 0.00 N ATOM 674 CA GLU A 43 -39.150 39.012 1.440 1.00 0.00 C ATOM 675 C GLU A 43 -38.560 40.351 1.873 1.00 0.00 C ATOM 676 O GLU A 43 -39.244 41.374 1.863 1.00 0.00 O ATOM 677 CB GLU A 43 -39.059 38.006 2.590 1.00 0.00 C ATOM 678 CG GLU A 43 -39.804 38.443 3.840 1.00 0.00 C ATOM 679 CD GLU A 43 -39.018 38.180 5.110 1.00 0.00 C ATOM 680 OE1 GLU A 43 -37.951 38.805 5.286 1.00 0.00 O ATOM 681 OE2 GLU A 43 -39.469 37.351 5.927 1.00 0.00 O ATOM 0 H GLU A 43 -37.703 37.847 0.467 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.198 39.163 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.457 37.048 2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -38.010 37.846 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -40.029 39.507 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.758 37.918 3.892 1.00 0.00 H new ATOM 688 N GLU A 44 -37.287 40.335 2.255 1.00 0.00 N ATOM 689 CA GLU A 44 -36.606 41.547 2.693 1.00 0.00 C ATOM 690 C GLU A 44 -36.781 42.669 1.673 1.00 0.00 C ATOM 691 O GLU A 44 -36.903 43.839 2.036 1.00 0.00 O ATOM 692 CB GLU A 44 -35.117 41.272 2.913 1.00 0.00 C ATOM 693 CG GLU A 44 -34.341 41.055 1.624 1.00 0.00 C ATOM 694 CD GLU A 44 -33.050 40.291 1.842 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.869 39.731 2.943 1.00 0.00 O ATOM 696 OE2 GLU A 44 -32.219 40.253 0.910 1.00 0.00 O ATOM 0 H GLU A 44 -36.707 39.496 2.270 1.00 0.00 H new ATOM 0 HA GLU A 44 -37.053 41.863 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.678 42.109 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -35.008 40.391 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.966 40.511 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -34.115 42.021 1.173 1.00 0.00 H new ATOM 703 N ALA A 45 -36.793 42.303 0.396 1.00 0.00 N ATOM 704 CA ALA A 45 -36.955 43.276 -0.677 1.00 0.00 C ATOM 705 C ALA A 45 -38.304 43.981 -0.579 1.00 0.00 C ATOM 706 O ALA A 45 -38.373 45.167 -0.258 1.00 0.00 O ATOM 707 CB ALA A 45 -36.808 42.599 -2.031 1.00 0.00 C ATOM 0 H ALA A 45 -36.692 41.339 0.079 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.173 44.028 -0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.931 43.338 -2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.819 42.148 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -37.568 41.825 -2.135 1.00 0.00 H new ATOM 713 N GLU A 46 -39.374 43.243 -0.860 1.00 0.00 N ATOM 714 CA GLU A 46 -40.721 43.799 -0.805 1.00 0.00 C ATOM 715 C GLU A 46 -40.989 44.441 0.553 1.00 0.00 C ATOM 716 O GLU A 46 -41.620 45.495 0.642 1.00 0.00 O ATOM 717 CB GLU A 46 -41.758 42.709 -1.080 1.00 0.00 C ATOM 718 CG GLU A 46 -41.734 41.576 -0.068 1.00 0.00 C ATOM 719 CD GLU A 46 -42.516 40.363 -0.533 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.065 40.403 -1.654 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.579 39.373 0.226 1.00 0.00 O ATOM 0 H GLU A 46 -39.334 42.260 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.801 44.568 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -42.751 43.158 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -41.587 42.299 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -40.701 41.286 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -42.146 41.929 0.877 1.00 0.00 H new ATOM 728 N LYS A 47 -40.506 43.798 1.611 1.00 0.00 N ATOM 729 CA LYS A 47 -40.692 44.304 2.966 1.00 0.00 C ATOM 730 C LYS A 47 -40.023 45.664 3.135 1.00 0.00 C ATOM 731 O LYS A 47 -40.651 46.623 3.583 1.00 0.00 O ATOM 732 CB LYS A 47 -40.123 43.313 3.984 1.00 0.00 C ATOM 733 CG LYS A 47 -40.984 42.077 4.176 1.00 0.00 C ATOM 734 CD LYS A 47 -42.337 42.426 4.774 1.00 0.00 C ATOM 735 CE LYS A 47 -42.190 43.097 6.131 1.00 0.00 C ATOM 736 NZ LYS A 47 -41.390 42.269 7.075 1.00 0.00 N ATOM 0 H LYS A 47 -39.982 42.924 1.556 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.762 44.421 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -39.128 43.006 3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -40.007 43.817 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -41.127 41.580 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.469 41.371 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -42.876 43.088 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -42.935 41.520 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -41.712 44.069 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -43.177 43.279 6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -41.494 42.644 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -41.728 41.286 7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -40.388 42.298 6.799 1.00 0.00 H new