USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 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 Set 1.1: A 20 LYS NZ :NH3+ 168:sc= 0.51 (180deg=0) USER MOD Set 1.2: A 24 ASN :FLIP amide:sc= 0.295 F(o=-0.73,f=0.8) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -122:sc= -0.167 (180deg=-0.791) USER MOD Single : A 13 SER OG : rot 98:sc= 1.23 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ -170:sc= 0 (180deg=-0.0481) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -12.488 -2.783 -5.462 1.00 0.00 N ATOM 126 CA ASP A 9 -13.634 -2.276 -4.716 1.00 0.00 C ATOM 127 C ASP A 9 -13.400 -0.835 -4.273 1.00 0.00 C ATOM 128 O ASP A 9 -14.344 -0.062 -4.113 1.00 0.00 O ATOM 129 CB ASP A 9 -13.907 -3.159 -3.497 1.00 0.00 C ATOM 130 CG ASP A 9 -14.837 -4.313 -3.816 1.00 0.00 C ATOM 131 OD1 ASP A 9 -14.923 -4.695 -5.002 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.478 -4.835 -2.880 1.00 0.00 O ATOM 0 HA ASP A 9 -14.503 -2.298 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.964 -3.551 -3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.343 -2.553 -2.703 1.00 0.00 H new ATOM 137 N LYS A 10 -12.135 -0.480 -4.076 1.00 0.00 N ATOM 138 CA LYS A 10 -11.775 0.868 -3.652 1.00 0.00 C ATOM 139 C LYS A 10 -11.853 1.845 -4.820 1.00 0.00 C ATOM 140 O LYS A 10 -12.488 2.895 -4.722 1.00 0.00 O ATOM 141 CB LYS A 10 -10.364 0.878 -3.058 1.00 0.00 C ATOM 142 CG LYS A 10 -10.260 1.645 -1.751 1.00 0.00 C ATOM 143 CD LYS A 10 -10.482 0.737 -0.552 1.00 0.00 C ATOM 144 CE LYS A 10 -11.936 0.305 -0.441 1.00 0.00 C ATOM 145 NZ LYS A 10 -12.172 -0.543 0.760 1.00 0.00 N ATOM 0 H LYS A 10 -11.341 -1.108 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.486 1.184 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.041 -0.150 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.677 1.316 -3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.277 2.111 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.996 2.449 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.845 -0.144 -0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.185 1.257 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.574 1.187 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.220 -0.247 -1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.174 -0.817 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.582 -1.397 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.925 -0.008 1.617 1.00 0.00 H new ATOM 159 N ILE A 11 -11.204 1.492 -5.925 1.00 0.00 N ATOM 160 CA ILE A 11 -11.203 2.337 -7.113 1.00 0.00 C ATOM 161 C ILE A 11 -12.599 2.436 -7.718 1.00 0.00 C ATOM 162 O ILE A 11 -13.008 3.496 -8.193 1.00 0.00 O ATOM 163 CB ILE A 11 -10.229 1.805 -8.181 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.566 0.355 -8.533 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.793 1.917 -7.691 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.548 0.223 -9.677 1.00 0.00 C ATOM 0 H ILE A 11 -10.672 0.627 -6.022 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.876 3.327 -6.796 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.333 2.411 -9.081 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.647 -0.171 -8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.978 -0.138 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.117 1.537 -8.457 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.559 2.962 -7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.673 1.333 -6.779 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.740 -0.832 -9.871 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.482 0.720 -9.414 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.130 0.686 -10.571 1.00 0.00 H new ATOM 178 N LYS A 12 -13.328 1.326 -7.697 1.00 0.00 N ATOM 179 CA LYS A 12 -14.680 1.287 -8.240 1.00 0.00 C ATOM 180 C LYS A 12 -15.644 2.072 -7.356 1.00 0.00 C ATOM 181 O LYS A 12 -16.654 2.592 -7.832 1.00 0.00 O ATOM 182 CB LYS A 12 -15.158 -0.161 -8.372 1.00 0.00 C ATOM 183 CG LYS A 12 -16.632 -0.287 -8.716 1.00 0.00 C ATOM 184 CD LYS A 12 -17.478 -0.502 -7.472 1.00 0.00 C ATOM 185 CE LYS A 12 -17.754 -1.978 -7.234 1.00 0.00 C ATOM 186 NZ LYS A 12 -18.528 -2.586 -8.352 1.00 0.00 N ATOM 0 H LYS A 12 -13.004 0.440 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.661 1.748 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.570 -0.660 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.966 -0.685 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.964 0.614 -9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.776 -1.120 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.966 -0.082 -6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.422 0.034 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.810 -2.509 -7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.307 -2.098 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.412 -2.991 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -18.751 -1.855 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.963 -3.337 -8.797 1.00 0.00 H new ATOM 200 N SER A 13 -15.326 2.156 -6.069 1.00 0.00 N ATOM 201 CA SER A 13 -16.165 2.876 -5.119 1.00 0.00 C ATOM 202 C SER A 13 -15.738 4.337 -5.015 1.00 0.00 C ATOM 203 O SER A 13 -16.533 5.205 -4.653 1.00 0.00 O ATOM 204 CB SER A 13 -16.096 2.214 -3.741 1.00 0.00 C ATOM 205 OG SER A 13 -16.751 0.957 -3.746 1.00 0.00 O ATOM 0 H SER A 13 -14.493 1.734 -5.660 1.00 0.00 H new ATOM 0 HA SER A 13 -17.193 2.841 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.054 2.084 -3.448 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.557 2.865 -2.998 1.00 0.00 H new ATOM 0 HG SER A 13 -16.089 0.244 -3.862 1.00 0.00 H new ATOM 211 N LYS A 14 -14.476 4.602 -5.337 1.00 0.00 N ATOM 212 CA LYS A 14 -13.940 5.957 -5.282 1.00 0.00 C ATOM 213 C LYS A 14 -14.677 6.873 -6.254 1.00 0.00 C ATOM 214 O LYS A 14 -15.399 7.781 -5.840 1.00 0.00 O ATOM 215 CB LYS A 14 -12.445 5.950 -5.605 1.00 0.00 C ATOM 216 CG LYS A 14 -11.666 7.050 -4.906 1.00 0.00 C ATOM 217 CD LYS A 14 -12.276 8.417 -5.166 1.00 0.00 C ATOM 218 CE LYS A 14 -12.257 8.764 -6.646 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.387 9.939 -6.929 1.00 0.00 N ATOM 0 H LYS A 14 -13.805 3.896 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.085 6.337 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.026 4.984 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.314 6.052 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.646 6.858 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.632 7.040 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.303 8.434 -4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.726 9.174 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.904 7.905 -7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.272 8.974 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.401 10.144 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.739 10.766 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.413 9.729 -6.631 1.00 0.00 H new ATOM 233 N ILE A 15 -14.492 6.628 -7.547 1.00 0.00 N ATOM 234 CA ILE A 15 -15.141 7.429 -8.577 1.00 0.00 C ATOM 235 C ILE A 15 -16.658 7.382 -8.434 1.00 0.00 C ATOM 236 O ILE A 15 -17.342 8.390 -8.621 1.00 0.00 O ATOM 237 CB ILE A 15 -14.754 6.952 -9.989 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.237 6.784 -10.096 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.259 7.933 -11.036 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.803 5.356 -10.341 1.00 0.00 C ATOM 0 H ILE A 15 -13.898 5.881 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.797 8.455 -8.443 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.221 5.984 -10.171 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.866 7.412 -10.906 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.774 7.143 -9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.978 7.582 -12.029 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.345 8.007 -10.971 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.817 8.914 -10.859 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.716 5.312 -10.406 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.143 4.726 -9.519 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.237 4.999 -11.275 1.00 0.00 H new ATOM 252 N LEU A 16 -17.180 6.206 -8.102 1.00 0.00 N ATOM 253 CA LEU A 16 -18.617 6.027 -7.932 1.00 0.00 C ATOM 254 C LEU A 16 -19.144 6.897 -6.795 1.00 0.00 C ATOM 255 O LEU A 16 -20.019 7.739 -6.998 1.00 0.00 O ATOM 256 CB LEU A 16 -18.939 4.557 -7.657 1.00 0.00 C ATOM 257 CG LEU A 16 -19.137 3.672 -8.887 1.00 0.00 C ATOM 258 CD1 LEU A 16 -19.440 2.241 -8.472 1.00 0.00 C ATOM 259 CD2 LEU A 16 -20.251 4.221 -9.766 1.00 0.00 C ATOM 0 H LEU A 16 -16.629 5.362 -7.945 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.108 6.333 -8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.133 4.135 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.844 4.511 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.212 3.673 -9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -19.578 1.626 -9.361 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -18.610 1.849 -7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.350 2.221 -7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.378 3.578 -10.637 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -21.181 4.251 -9.198 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.993 5.228 -10.093 1.00 0.00 H new ATOM 271 N ASP A 17 -18.604 6.688 -5.599 1.00 0.00 N ATOM 272 CA ASP A 17 -19.017 7.455 -4.429 1.00 0.00 C ATOM 273 C ASP A 17 -18.698 8.936 -4.610 1.00 0.00 C ATOM 274 O ASP A 17 -19.459 9.802 -4.179 1.00 0.00 O ATOM 275 CB ASP A 17 -18.326 6.921 -3.173 1.00 0.00 C ATOM 276 CG ASP A 17 -18.747 7.665 -1.921 1.00 0.00 C ATOM 277 OD1 ASP A 17 -18.252 8.791 -1.706 1.00 0.00 O ATOM 278 OD2 ASP A 17 -19.570 7.120 -1.155 1.00 0.00 O ATOM 0 H ASP A 17 -17.880 5.994 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.095 7.346 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.556 5.862 -3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.246 7.001 -3.294 1.00 0.00 H new ATOM 283 N ASP A 18 -17.568 9.218 -5.248 1.00 0.00 N ATOM 284 CA ASP A 18 -17.147 10.594 -5.486 1.00 0.00 C ATOM 285 C ASP A 18 -18.110 11.300 -6.435 1.00 0.00 C ATOM 286 O ASP A 18 -18.578 12.403 -6.153 1.00 0.00 O ATOM 287 CB ASP A 18 -15.730 10.625 -6.061 1.00 0.00 C ATOM 288 CG ASP A 18 -15.182 12.034 -6.175 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.060 12.709 -5.132 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.877 12.462 -7.308 1.00 0.00 O ATOM 0 H ASP A 18 -16.927 8.512 -5.610 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.154 11.120 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.071 10.032 -5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.730 10.158 -7.046 1.00 0.00 H new ATOM 295 N ALA A 19 -18.400 10.658 -7.562 1.00 0.00 N ATOM 296 CA ALA A 19 -19.308 11.224 -8.552 1.00 0.00 C ATOM 297 C ALA A 19 -20.671 11.527 -7.938 1.00 0.00 C ATOM 298 O ALA A 19 -21.103 12.679 -7.897 1.00 0.00 O ATOM 299 CB ALA A 19 -19.458 10.276 -9.733 1.00 0.00 C ATOM 0 H ALA A 19 -18.019 9.745 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.881 12.163 -8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.139 10.711 -10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.484 10.113 -10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.859 9.323 -9.386 1.00 0.00 H new ATOM 305 N LYS A 20 -21.344 10.485 -7.462 1.00 0.00 N ATOM 306 CA LYS A 20 -22.658 10.639 -6.849 1.00 0.00 C ATOM 307 C LYS A 20 -22.626 11.696 -5.750 1.00 0.00 C ATOM 308 O LYS A 20 -23.592 12.434 -5.557 1.00 0.00 O ATOM 309 CB LYS A 20 -23.135 9.303 -6.273 1.00 0.00 C ATOM 310 CG LYS A 20 -22.162 8.686 -5.283 1.00 0.00 C ATOM 311 CD LYS A 20 -22.520 9.049 -3.851 1.00 0.00 C ATOM 312 CE LYS A 20 -23.664 8.193 -3.329 1.00 0.00 C ATOM 313 NZ LYS A 20 -24.700 9.012 -2.641 1.00 0.00 N ATOM 0 H LYS A 20 -21.001 9.525 -7.489 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.355 10.965 -7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -24.096 9.451 -5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.301 8.602 -7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -22.164 7.602 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -21.151 9.027 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.646 8.919 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -22.799 10.101 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -24.120 7.652 -4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -23.273 7.446 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -25.549 8.434 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -24.330 9.344 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -24.945 9.831 -3.234 1.00 0.00 H new ATOM 327 N ALA A 21 -21.509 11.763 -5.033 1.00 0.00 N ATOM 328 CA ALA A 21 -21.350 12.733 -3.956 1.00 0.00 C ATOM 329 C ALA A 21 -21.307 14.156 -4.500 1.00 0.00 C ATOM 330 O ALA A 21 -21.900 15.068 -3.924 1.00 0.00 O ATOM 331 CB ALA A 21 -20.090 12.433 -3.158 1.00 0.00 C ATOM 0 H ALA A 21 -20.701 11.157 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.214 12.651 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.984 13.165 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.160 11.433 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.222 12.486 -3.815 1.00 0.00 H new ATOM 337 N GLU A 22 -20.602 14.339 -5.612 1.00 0.00 N ATOM 338 CA GLU A 22 -20.482 15.653 -6.233 1.00 0.00 C ATOM 339 C GLU A 22 -21.852 16.190 -6.639 1.00 0.00 C ATOM 340 O GLU A 22 -22.135 17.378 -6.483 1.00 0.00 O ATOM 341 CB GLU A 22 -19.566 15.583 -7.456 1.00 0.00 C ATOM 342 CG GLU A 22 -18.614 16.761 -7.573 1.00 0.00 C ATOM 343 CD GLU A 22 -17.514 16.524 -8.589 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.544 15.810 -8.256 1.00 0.00 O ATOM 345 OE2 GLU A 22 -17.622 17.051 -9.715 1.00 0.00 O ATOM 0 H GLU A 22 -20.105 13.594 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.046 16.334 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.986 14.661 -7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.179 15.532 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.177 17.651 -7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.167 16.960 -6.599 1.00 0.00 H new ATOM 352 N ALA A 23 -22.696 15.307 -7.161 1.00 0.00 N ATOM 353 CA ALA A 23 -24.035 15.691 -7.589 1.00 0.00 C ATOM 354 C ALA A 23 -24.988 15.774 -6.401 1.00 0.00 C ATOM 355 O ALA A 23 -26.016 16.446 -6.464 1.00 0.00 O ATOM 356 CB ALA A 23 -24.562 14.707 -8.623 1.00 0.00 C ATOM 0 H ALA A 23 -22.476 14.320 -7.298 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.975 16.680 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.563 15.007 -8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.900 14.700 -9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.601 13.708 -8.188 1.00 0.00 H new ATOM 362 N ASN A 24 -24.639 15.085 -5.320 1.00 0.00 N ATOM 363 CA ASN A 24 -25.465 15.081 -4.117 1.00 0.00 C ATOM 364 C ASN A 24 -25.162 16.295 -3.245 1.00 0.00 C ATOM 365 O ASN A 24 -26.010 16.746 -2.474 1.00 0.00 O ATOM 366 CB ASN A 24 -25.234 13.795 -3.320 1.00 0.00 C ATOM 367 CG ASN A 24 -26.242 12.715 -3.660 1.00 0.00 C ATOM 368 OD1 ASN A 24 -25.749 11.520 -3.962 1.00 0.00 O flip ATOM 369 ND2 ASN A 24 -27.450 12.952 -3.650 1.00 0.00 N flip ATOM 0 H ASN A 24 -23.791 14.523 -5.252 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.510 15.128 -4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.228 13.424 -3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.289 14.017 -2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -27.785 13.886 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.116 12.215 -3.880 1.00 0.00 H new ATOM 376 N LYS A 25 -23.949 16.820 -3.372 1.00 0.00 N ATOM 377 CA LYS A 25 -23.533 17.984 -2.598 1.00 0.00 C ATOM 378 C LYS A 25 -23.850 19.276 -3.344 1.00 0.00 C ATOM 379 O LYS A 25 -23.925 20.348 -2.744 1.00 0.00 O ATOM 380 CB LYS A 25 -22.035 17.912 -2.295 1.00 0.00 C ATOM 381 CG LYS A 25 -21.700 18.123 -0.829 1.00 0.00 C ATOM 382 CD LYS A 25 -22.300 17.033 0.043 1.00 0.00 C ATOM 383 CE LYS A 25 -21.251 16.397 0.943 1.00 0.00 C ATOM 384 NZ LYS A 25 -21.567 14.973 1.242 1.00 0.00 N ATOM 0 H LYS A 25 -23.235 16.458 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.088 17.982 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.656 16.940 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.516 18.664 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.618 18.138 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.073 19.095 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.099 17.453 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.751 16.268 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.274 16.459 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.184 16.958 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.829 14.575 1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.487 14.915 1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.606 14.432 0.354 1.00 0.00 H new ATOM 398 N ILE A 26 -24.038 19.166 -4.655 1.00 0.00 N ATOM 399 CA ILE A 26 -24.350 20.325 -5.482 1.00 0.00 C ATOM 400 C ILE A 26 -25.851 20.590 -5.513 1.00 0.00 C ATOM 401 O ILE A 26 -26.287 21.723 -5.719 1.00 0.00 O ATOM 402 CB ILE A 26 -23.842 20.141 -6.924 1.00 0.00 C ATOM 403 CG1 ILE A 26 -23.696 21.498 -7.614 1.00 0.00 C ATOM 404 CG2 ILE A 26 -24.787 19.241 -7.707 1.00 0.00 C ATOM 405 CD1 ILE A 26 -22.619 22.371 -7.009 1.00 0.00 C ATOM 0 H ILE A 26 -23.980 18.286 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 26 -23.842 21.179 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 26 -22.862 19.665 -6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.473 21.338 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.649 22.025 -7.566 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.415 19.120 -8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -24.845 18.266 -7.224 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -25.779 19.692 -7.735 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -22.572 23.317 -7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -22.851 22.562 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.657 21.864 -7.081 1.00 0.00 H new ATOM 417 N ILE A 27 -26.636 19.538 -5.306 1.00 0.00 N ATOM 418 CA ILE A 27 -28.089 19.658 -5.308 1.00 0.00 C ATOM 419 C ILE A 27 -28.596 20.221 -3.984 1.00 0.00 C ATOM 420 O ILE A 27 -29.613 20.913 -3.940 1.00 0.00 O ATOM 421 CB ILE A 27 -28.766 18.299 -5.567 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.268 17.257 -4.564 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.501 17.840 -6.993 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.348 16.746 -3.638 1.00 0.00 C ATOM 0 H ILE A 27 -26.291 18.594 -5.135 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.348 20.344 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.842 18.414 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.840 16.416 -5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.466 17.692 -3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.985 16.878 -7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.900 18.575 -7.692 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.427 17.737 -7.149 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.923 16.011 -2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.760 17.577 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.140 16.281 -4.225 1.00 0.00 H new ATOM 436 N SER A 28 -27.878 19.920 -2.906 1.00 0.00 N ATOM 437 CA SER A 28 -28.256 20.395 -1.580 1.00 0.00 C ATOM 438 C SER A 28 -27.740 21.811 -1.342 1.00 0.00 C ATOM 439 O SER A 28 -28.501 22.706 -0.979 1.00 0.00 O ATOM 440 CB SER A 28 -27.710 19.453 -0.504 1.00 0.00 C ATOM 441 OG SER A 28 -28.378 19.648 0.730 1.00 0.00 O ATOM 0 H SER A 28 -27.032 19.350 -2.925 1.00 0.00 H new ATOM 0 HA SER A 28 -29.344 20.410 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 28 -27.830 18.419 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 28 -26.641 19.625 -0.374 1.00 0.00 H new ATOM 0 HG SER A 28 -28.013 19.034 1.400 1.00 0.00 H new ATOM 447 N GLU A 29 -26.441 22.003 -1.550 1.00 0.00 N ATOM 448 CA GLU A 29 -25.823 23.310 -1.358 1.00 0.00 C ATOM 449 C GLU A 29 -26.482 24.360 -2.248 1.00 0.00 C ATOM 450 O GLU A 29 -26.431 25.555 -1.958 1.00 0.00 O ATOM 451 CB GLU A 29 -24.324 23.239 -1.658 1.00 0.00 C ATOM 452 CG GLU A 29 -23.494 24.218 -0.845 1.00 0.00 C ATOM 453 CD GLU A 29 -23.430 25.595 -1.477 1.00 0.00 C ATOM 454 OE1 GLU A 29 -23.673 25.698 -2.698 1.00 0.00 O ATOM 455 OE2 GLU A 29 -23.137 26.568 -0.752 1.00 0.00 O ATOM 0 H GLU A 29 -25.797 21.271 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 29 -25.965 23.601 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -23.971 22.227 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.165 23.434 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -23.916 24.301 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.483 23.826 -0.734 1.00 0.00 H new ATOM 462 N ALA A 30 -27.100 23.904 -3.333 1.00 0.00 N ATOM 463 CA ALA A 30 -27.770 24.803 -4.265 1.00 0.00 C ATOM 464 C ALA A 30 -29.192 25.108 -3.806 1.00 0.00 C ATOM 465 O ALA A 30 -29.510 26.245 -3.458 1.00 0.00 O ATOM 466 CB ALA A 30 -27.782 24.200 -5.662 1.00 0.00 C ATOM 0 H ALA A 30 -27.151 22.918 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.215 25.741 -4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.285 24.881 -6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -26.758 24.038 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.312 23.248 -5.643 1.00 0.00 H new ATOM 472 N GLU A 31 -30.042 24.087 -3.809 1.00 0.00 N ATOM 473 CA GLU A 31 -31.431 24.249 -3.394 1.00 0.00 C ATOM 474 C GLU A 31 -31.516 24.937 -2.035 1.00 0.00 C ATOM 475 O GLU A 31 -32.477 25.650 -1.747 1.00 0.00 O ATOM 476 CB GLU A 31 -32.130 22.889 -3.333 1.00 0.00 C ATOM 477 CG GLU A 31 -31.732 22.053 -2.129 1.00 0.00 C ATOM 478 CD GLU A 31 -32.652 22.264 -0.942 1.00 0.00 C ATOM 479 OE1 GLU A 31 -33.524 23.155 -1.020 1.00 0.00 O ATOM 480 OE2 GLU A 31 -32.501 21.539 0.063 1.00 0.00 O ATOM 0 H GLU A 31 -29.794 23.139 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 31 -31.933 24.875 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.209 23.045 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -31.903 22.332 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.738 20.999 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -30.711 22.301 -1.841 1.00 0.00 H new ATOM 487 N ALA A 32 -30.503 24.719 -1.203 1.00 0.00 N ATOM 488 CA ALA A 32 -30.462 25.319 0.125 1.00 0.00 C ATOM 489 C ALA A 32 -30.313 26.834 0.038 1.00 0.00 C ATOM 490 O ALA A 32 -31.251 27.576 0.329 1.00 0.00 O ATOM 491 CB ALA A 32 -29.324 24.721 0.939 1.00 0.00 C ATOM 0 H ALA A 32 -29.700 24.131 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.406 25.101 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.305 25.178 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.474 23.646 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.377 24.910 0.434 1.00 0.00 H new ATOM 497 N GLU A 33 -29.129 27.286 -0.363 1.00 0.00 N ATOM 498 CA GLU A 33 -28.859 28.714 -0.486 1.00 0.00 C ATOM 499 C GLU A 33 -29.907 29.392 -1.364 1.00 0.00 C ATOM 500 O GLU A 33 -30.364 30.496 -1.066 1.00 0.00 O ATOM 501 CB GLU A 33 -27.464 28.944 -1.069 1.00 0.00 C ATOM 502 CG GLU A 33 -27.271 28.331 -2.446 1.00 0.00 C ATOM 503 CD GLU A 33 -25.809 28.149 -2.804 1.00 0.00 C ATOM 504 OE1 GLU A 33 -24.946 28.551 -1.996 1.00 0.00 O ATOM 505 OE2 GLU A 33 -25.527 27.605 -3.892 1.00 0.00 O ATOM 0 H GLU A 33 -28.342 26.685 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 33 -28.905 29.153 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.276 30.016 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -26.722 28.528 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.773 27.364 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -27.748 28.966 -3.192 1.00 0.00 H new ATOM 512 N LYS A 34 -30.284 28.724 -2.449 1.00 0.00 N ATOM 513 CA LYS A 34 -31.278 29.259 -3.371 1.00 0.00 C ATOM 514 C LYS A 34 -32.596 29.531 -2.653 1.00 0.00 C ATOM 515 O LYS A 34 -33.050 30.673 -2.581 1.00 0.00 O ATOM 516 CB LYS A 34 -31.507 28.284 -4.528 1.00 0.00 C ATOM 517 CG LYS A 34 -32.695 28.646 -5.403 1.00 0.00 C ATOM 518 CD LYS A 34 -32.965 27.577 -6.448 1.00 0.00 C ATOM 519 CE LYS A 34 -33.712 28.145 -7.646 1.00 0.00 C ATOM 520 NZ LYS A 34 -34.959 27.384 -7.933 1.00 0.00 N ATOM 0 H LYS A 34 -29.915 27.810 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 34 -30.900 30.201 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.609 28.249 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.656 27.283 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -33.580 28.779 -4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -32.507 29.599 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -32.021 27.143 -6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -33.548 26.771 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -33.959 29.190 -7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -33.064 28.124 -8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -35.439 27.802 -8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -34.721 26.392 -8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -35.589 27.426 -7.107 1.00 0.00 H new ATOM 534 N ALA A 35 -33.205 28.476 -2.123 1.00 0.00 N ATOM 535 CA ALA A 35 -34.468 28.602 -1.408 1.00 0.00 C ATOM 536 C ALA A 35 -34.338 29.559 -0.227 1.00 0.00 C ATOM 537 O ALA A 35 -35.336 30.045 0.305 1.00 0.00 O ATOM 538 CB ALA A 35 -34.945 27.237 -0.933 1.00 0.00 C ATOM 0 H ALA A 35 -32.844 27.524 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.206 29.014 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -35.890 27.347 -0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.087 26.582 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.200 26.803 -0.265 1.00 0.00 H new ATOM 544 N LYS A 36 -33.101 29.825 0.178 1.00 0.00 N ATOM 545 CA LYS A 36 -32.838 30.724 1.296 1.00 0.00 C ATOM 546 C LYS A 36 -32.856 32.179 0.839 1.00 0.00 C ATOM 547 O LYS A 36 -33.573 33.008 1.401 1.00 0.00 O ATOM 548 CB LYS A 36 -31.488 30.395 1.935 1.00 0.00 C ATOM 549 CG LYS A 36 -31.604 29.773 3.316 1.00 0.00 C ATOM 550 CD LYS A 36 -31.376 28.272 3.272 1.00 0.00 C ATOM 551 CE LYS A 36 -32.662 27.522 2.957 1.00 0.00 C ATOM 552 NZ LYS A 36 -33.503 27.328 4.170 1.00 0.00 N ATOM 0 H LYS A 36 -32.264 29.431 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.626 30.584 2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -30.944 29.712 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.897 31.308 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -30.877 30.233 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -32.592 29.980 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.624 28.039 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.982 27.934 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -33.229 28.073 2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -32.420 26.551 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -34.369 26.813 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -32.972 26.780 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -33.756 28.255 4.569 1.00 0.00 H new ATOM 566 N ILE A 37 -32.063 32.483 -0.184 1.00 0.00 N ATOM 567 CA ILE A 37 -31.991 33.837 -0.717 1.00 0.00 C ATOM 568 C ILE A 37 -33.260 34.196 -1.483 1.00 0.00 C ATOM 569 O ILE A 37 -33.656 35.361 -1.539 1.00 0.00 O ATOM 570 CB ILE A 37 -30.777 34.011 -1.649 1.00 0.00 C ATOM 571 CG1 ILE A 37 -30.792 32.945 -2.746 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.483 33.940 -0.852 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.508 33.494 -4.127 1.00 0.00 C ATOM 0 H ILE A 37 -31.462 31.810 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.884 34.506 0.137 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.837 34.992 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.052 32.181 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -31.766 32.455 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.634 34.065 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.473 34.733 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.414 32.972 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.535 32.682 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -31.262 34.237 -4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.522 33.959 -4.138 1.00 0.00 H new ATOM 585 N LEU A 38 -33.895 33.188 -2.069 1.00 0.00 N ATOM 586 CA LEU A 38 -35.122 33.396 -2.830 1.00 0.00 C ATOM 587 C LEU A 38 -36.261 33.838 -1.917 1.00 0.00 C ATOM 588 O LEU A 38 -37.090 34.664 -2.298 1.00 0.00 O ATOM 589 CB LEU A 38 -35.513 32.113 -3.566 1.00 0.00 C ATOM 590 CG LEU A 38 -35.006 31.983 -5.003 1.00 0.00 C ATOM 591 CD1 LEU A 38 -35.616 33.063 -5.884 1.00 0.00 C ATOM 592 CD2 LEU A 38 -33.487 32.056 -5.042 1.00 0.00 C ATOM 0 H LEU A 38 -33.581 32.218 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 38 -34.938 34.185 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.144 31.262 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.601 32.042 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.313 31.011 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.244 32.955 -6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -36.702 32.964 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.340 34.045 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.145 31.962 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.158 33.013 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.068 31.246 -4.445 1.00 0.00 H new ATOM 604 N GLU A 39 -36.294 33.284 -0.709 1.00 0.00 N ATOM 605 CA GLU A 39 -37.330 33.623 0.259 1.00 0.00 C ATOM 606 C GLU A 39 -36.891 34.788 1.141 1.00 0.00 C ATOM 607 O GLU A 39 -37.717 35.559 1.629 1.00 0.00 O ATOM 608 CB GLU A 39 -37.666 32.409 1.127 1.00 0.00 C ATOM 609 CG GLU A 39 -38.243 31.242 0.344 1.00 0.00 C ATOM 610 CD GLU A 39 -39.756 31.291 0.255 1.00 0.00 C ATOM 611 OE1 GLU A 39 -40.282 32.193 -0.429 1.00 0.00 O ATOM 612 OE2 GLU A 39 -40.414 30.425 0.870 1.00 0.00 O ATOM 0 H GLU A 39 -35.615 32.599 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.221 33.923 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -36.763 32.080 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -38.379 32.708 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -37.823 31.241 -0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -37.941 30.307 0.816 1.00 0.00 H new ATOM 619 N LYS A 40 -35.583 34.908 1.343 1.00 0.00 N ATOM 620 CA LYS A 40 -35.031 35.978 2.166 1.00 0.00 C ATOM 621 C LYS A 40 -35.013 37.298 1.403 1.00 0.00 C ATOM 622 O LYS A 40 -35.423 38.334 1.926 1.00 0.00 O ATOM 623 CB LYS A 40 -33.613 35.620 2.620 1.00 0.00 C ATOM 624 CG LYS A 40 -33.003 36.639 3.567 1.00 0.00 C ATOM 625 CD LYS A 40 -32.180 35.967 4.654 1.00 0.00 C ATOM 626 CE LYS A 40 -32.297 36.707 5.978 1.00 0.00 C ATOM 627 NZ LYS A 40 -31.859 38.125 5.861 1.00 0.00 N ATOM 0 H LYS A 40 -34.885 34.277 0.948 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.669 36.094 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.632 34.647 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.973 35.523 1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.372 37.328 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.795 37.233 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -32.514 34.937 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -31.134 35.928 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -33.330 36.673 6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -31.693 36.201 6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -31.792 38.547 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -30.929 38.164 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -32.550 38.656 5.294 1.00 0.00 H new ATOM 641 N ALA A 41 -34.538 37.253 0.163 1.00 0.00 N ATOM 642 CA ALA A 41 -34.471 38.446 -0.673 1.00 0.00 C ATOM 643 C ALA A 41 -35.866 38.908 -1.082 1.00 0.00 C ATOM 644 O ALA A 41 -36.226 40.070 -0.893 1.00 0.00 O ATOM 645 CB ALA A 41 -33.620 38.179 -1.906 1.00 0.00 C ATOM 0 H ALA A 41 -34.194 36.404 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 41 -34.008 39.243 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.579 39.078 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.611 37.903 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.060 37.365 -2.482 1.00 0.00 H new ATOM 651 N LYS A 42 -36.647 37.992 -1.644 1.00 0.00 N ATOM 652 CA LYS A 42 -38.003 38.306 -2.079 1.00 0.00 C ATOM 653 C LYS A 42 -38.813 38.915 -0.939 1.00 0.00 C ATOM 654 O LYS A 42 -39.704 39.732 -1.168 1.00 0.00 O ATOM 655 CB LYS A 42 -38.699 37.044 -2.596 1.00 0.00 C ATOM 656 CG LYS A 42 -40.136 37.277 -3.030 1.00 0.00 C ATOM 657 CD LYS A 42 -40.540 36.332 -4.149 1.00 0.00 C ATOM 658 CE LYS A 42 -39.934 36.752 -5.479 1.00 0.00 C ATOM 659 NZ LYS A 42 -40.967 36.881 -6.544 1.00 0.00 N ATOM 0 H LYS A 42 -36.364 37.026 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.939 39.036 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.134 36.647 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.683 36.284 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -40.801 37.139 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -40.254 38.308 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -40.219 35.319 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -41.626 36.310 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -39.417 37.704 -5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -39.187 36.020 -5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -40.513 37.169 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -41.444 35.966 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -41.666 37.598 -6.264 1.00 0.00 H new ATOM 673 N GLU A 43 -38.497 38.512 0.287 1.00 0.00 N ATOM 674 CA GLU A 43 -39.196 39.020 1.462 1.00 0.00 C ATOM 675 C GLU A 43 -38.583 40.335 1.934 1.00 0.00 C ATOM 676 O GLU A 43 -39.247 41.371 1.948 1.00 0.00 O ATOM 677 CB GLU A 43 -39.154 37.990 2.593 1.00 0.00 C ATOM 678 CG GLU A 43 -40.163 36.866 2.430 1.00 0.00 C ATOM 679 CD GLU A 43 -40.055 35.823 3.526 1.00 0.00 C ATOM 680 OE1 GLU A 43 -39.277 36.039 4.478 1.00 0.00 O ATOM 681 OE2 GLU A 43 -40.750 34.789 3.430 1.00 0.00 O ATOM 0 H GLU A 43 -37.762 37.836 0.493 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.234 39.202 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -38.153 37.563 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -39.336 38.496 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -41.170 37.284 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.015 36.387 1.462 1.00 0.00 H new ATOM 688 N GLU A 44 -37.312 40.284 2.320 1.00 0.00 N ATOM 689 CA GLU A 44 -36.610 41.471 2.793 1.00 0.00 C ATOM 690 C GLU A 44 -36.763 42.624 1.806 1.00 0.00 C ATOM 691 O GLU A 44 -36.808 43.790 2.198 1.00 0.00 O ATOM 692 CB GLU A 44 -35.126 41.162 3.007 1.00 0.00 C ATOM 693 CG GLU A 44 -34.322 41.120 1.719 1.00 0.00 C ATOM 694 CD GLU A 44 -33.010 40.374 1.874 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.850 39.659 2.885 1.00 0.00 O ATOM 696 OE2 GLU A 44 -32.145 40.506 0.984 1.00 0.00 O ATOM 0 H GLU A 44 -36.748 39.434 2.314 1.00 0.00 H new ATOM 0 HA GLU A 44 -37.053 41.768 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.698 41.916 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -35.033 40.202 3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.917 40.644 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -34.120 42.139 1.388 1.00 0.00 H new ATOM 703 N ALA A 45 -36.843 42.289 0.522 1.00 0.00 N ATOM 704 CA ALA A 45 -36.993 43.296 -0.522 1.00 0.00 C ATOM 705 C ALA A 45 -38.355 43.976 -0.437 1.00 0.00 C ATOM 706 O ALA A 45 -38.448 45.161 -0.119 1.00 0.00 O ATOM 707 CB ALA A 45 -36.800 42.666 -1.893 1.00 0.00 C ATOM 0 H ALA A 45 -36.806 41.329 0.180 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.227 44.057 -0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.915 43.429 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.802 42.233 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -37.545 41.885 -2.042 1.00 0.00 H new ATOM 713 N GLU A 46 -39.409 43.218 -0.726 1.00 0.00 N ATOM 714 CA GLU A 46 -40.766 43.750 -0.683 1.00 0.00 C ATOM 715 C GLU A 46 -41.078 44.336 0.691 1.00 0.00 C ATOM 716 O GLU A 46 -41.933 45.211 0.826 1.00 0.00 O ATOM 717 CB GLU A 46 -41.778 42.655 -1.024 1.00 0.00 C ATOM 718 CG GLU A 46 -41.756 41.483 -0.057 1.00 0.00 C ATOM 719 CD GLU A 46 -42.528 41.765 1.218 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.629 42.348 1.129 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.031 41.402 2.304 1.00 0.00 O ATOM 0 H GLU A 46 -39.349 42.235 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.840 44.546 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -42.779 43.087 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -41.578 42.288 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -42.178 40.605 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -40.723 41.243 0.194 1.00 0.00 H new ATOM 728 N LYS A 47 -40.378 43.846 1.709 1.00 0.00 N ATOM 729 CA LYS A 47 -40.578 44.319 3.074 1.00 0.00 C ATOM 730 C LYS A 47 -39.870 45.652 3.296 1.00 0.00 C ATOM 731 O LYS A 47 -40.466 46.605 3.799 1.00 0.00 O ATOM 732 CB LYS A 47 -40.064 43.283 4.075 1.00 0.00 C ATOM 733 CG LYS A 47 -39.843 43.843 5.470 1.00 0.00 C ATOM 734 CD LYS A 47 -38.409 44.304 5.666 1.00 0.00 C ATOM 735 CE LYS A 47 -37.703 43.490 6.739 1.00 0.00 C ATOM 736 NZ LYS A 47 -37.652 44.213 8.040 1.00 0.00 N ATOM 0 H LYS A 47 -39.667 43.121 1.614 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.647 44.465 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.776 42.460 4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -39.126 42.868 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -40.521 44.680 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.086 43.082 6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -37.866 44.216 4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -38.399 45.358 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -38.219 42.539 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -36.689 43.259 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -37.163 43.625 8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -37.137 45.109 7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -38.620 44.411 8.365 1.00 0.00 H new