USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=5 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+ 169:sc= 0 (180deg=-0.0222) USER MOD Single : A 13 SER OG : rot -23:sc= 0.612 USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0.141 (180deg=0.136) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.2!) 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+ -153:sc=-0.00163 (180deg=-0.405) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -12.348 -2.524 -4.422 1.00 0.00 N ATOM 126 CA ASP A 9 -13.489 -1.951 -3.719 1.00 0.00 C ATOM 127 C ASP A 9 -13.258 -0.472 -3.422 1.00 0.00 C ATOM 128 O ASP A 9 -14.205 0.309 -3.329 1.00 0.00 O ATOM 129 CB ASP A 9 -13.747 -2.711 -2.417 1.00 0.00 C ATOM 130 CG ASP A 9 -14.650 -3.912 -2.617 1.00 0.00 C ATOM 131 OD1 ASP A 9 -14.125 -5.006 -2.913 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.881 -3.759 -2.478 1.00 0.00 O ATOM 0 HA ASP A 9 -14.364 -2.041 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.796 -3.041 -1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.200 -2.037 -1.690 1.00 0.00 H new ATOM 137 N LYS A 10 -11.993 -0.095 -3.272 1.00 0.00 N ATOM 138 CA LYS A 10 -11.636 1.289 -2.986 1.00 0.00 C ATOM 139 C LYS A 10 -11.737 2.149 -4.242 1.00 0.00 C ATOM 140 O LYS A 10 -12.378 3.200 -4.236 1.00 0.00 O ATOM 141 CB LYS A 10 -10.217 1.365 -2.417 1.00 0.00 C ATOM 142 CG LYS A 10 -10.147 2.007 -1.042 1.00 0.00 C ATOM 143 CD LYS A 10 -10.345 0.983 0.063 1.00 0.00 C ATOM 144 CE LYS A 10 -9.176 0.980 1.036 1.00 0.00 C ATOM 145 NZ LYS A 10 -9.481 1.756 2.270 1.00 0.00 N ATOM 0 H LYS A 10 -11.197 -0.729 -3.344 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.339 1.673 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.803 0.358 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.588 1.930 -3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.181 2.496 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.910 2.782 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.267 1.201 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.458 -0.009 -0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.929 -0.047 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.297 1.402 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.660 1.730 2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.692 2.742 2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.304 1.338 2.748 1.00 0.00 H new ATOM 159 N ILE A 11 -11.103 1.693 -5.317 1.00 0.00 N ATOM 160 CA ILE A 11 -11.124 2.420 -6.581 1.00 0.00 C ATOM 161 C ILE A 11 -12.527 2.443 -7.178 1.00 0.00 C ATOM 162 O ILE A 11 -12.946 3.439 -7.768 1.00 0.00 O ATOM 163 CB ILE A 11 -10.154 1.799 -7.603 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.483 0.320 -7.819 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.715 1.965 -7.137 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.490 0.080 -8.922 1.00 0.00 C ATOM 0 H ILE A 11 -10.569 0.824 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.807 3.440 -6.364 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.270 2.320 -8.554 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.564 -0.218 -8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.868 -0.098 -6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.042 1.521 -7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.487 3.026 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.584 1.468 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.675 -0.990 -9.019 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.423 0.589 -8.680 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.099 0.467 -9.863 1.00 0.00 H new ATOM 178 N LYS A 12 -13.251 1.340 -7.018 1.00 0.00 N ATOM 179 CA LYS A 12 -14.609 1.233 -7.538 1.00 0.00 C ATOM 180 C LYS A 12 -15.572 2.089 -6.722 1.00 0.00 C ATOM 181 O LYS A 12 -16.600 2.538 -7.229 1.00 0.00 O ATOM 182 CB LYS A 12 -15.069 -0.226 -7.524 1.00 0.00 C ATOM 183 CG LYS A 12 -16.545 -0.401 -7.836 1.00 0.00 C ATOM 184 CD LYS A 12 -17.344 -0.733 -6.586 1.00 0.00 C ATOM 185 CE LYS A 12 -18.492 0.243 -6.384 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.578 -0.343 -5.549 1.00 0.00 N ATOM 0 H LYS A 12 -12.919 0.507 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.608 1.597 -8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.483 -0.790 -8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.860 -0.655 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.934 0.513 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.671 -1.196 -8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.736 -1.747 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.688 -0.710 -5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.118 1.150 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.896 0.534 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.250 0.404 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.076 -1.077 -6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.167 -0.766 -4.692 1.00 0.00 H new ATOM 200 N SER A 13 -15.232 2.312 -5.456 1.00 0.00 N ATOM 201 CA SER A 13 -16.069 3.112 -4.570 1.00 0.00 C ATOM 202 C SER A 13 -15.661 4.582 -4.618 1.00 0.00 C ATOM 203 O SER A 13 -16.466 5.471 -4.342 1.00 0.00 O ATOM 204 CB SER A 13 -15.971 2.591 -3.134 1.00 0.00 C ATOM 205 OG SER A 13 -14.685 2.833 -2.590 1.00 0.00 O ATOM 0 H SER A 13 -14.383 1.950 -5.022 1.00 0.00 H new ATOM 0 HA SER A 13 -17.101 3.028 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.728 3.075 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.181 1.522 -3.117 1.00 0.00 H new ATOM 0 HG SER A 13 -14.035 2.929 -3.317 1.00 0.00 H new ATOM 211 N LYS A 14 -14.404 4.829 -4.970 1.00 0.00 N ATOM 212 CA LYS A 14 -13.887 6.189 -5.057 1.00 0.00 C ATOM 213 C LYS A 14 -14.642 6.993 -6.111 1.00 0.00 C ATOM 214 O LYS A 14 -15.380 7.923 -5.784 1.00 0.00 O ATOM 215 CB LYS A 14 -12.393 6.169 -5.390 1.00 0.00 C ATOM 216 CG LYS A 14 -11.625 7.346 -4.814 1.00 0.00 C ATOM 217 CD LYS A 14 -12.258 8.671 -5.207 1.00 0.00 C ATOM 218 CE LYS A 14 -12.250 8.866 -6.716 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.388 10.010 -7.123 1.00 0.00 N ATOM 0 H LYS A 14 -13.724 4.104 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.031 6.667 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.958 5.243 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.271 6.161 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.594 7.265 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.594 7.316 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.283 8.709 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.718 9.489 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.896 7.955 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.268 9.036 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.355 10.068 -8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.780 10.894 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.426 9.869 -6.754 1.00 0.00 H new ATOM 233 N ILE A 15 -14.455 6.627 -7.374 1.00 0.00 N ATOM 234 CA ILE A 15 -15.121 7.312 -8.475 1.00 0.00 C ATOM 235 C ILE A 15 -16.637 7.255 -8.321 1.00 0.00 C ATOM 236 O ILE A 15 -17.335 8.238 -8.573 1.00 0.00 O ATOM 237 CB ILE A 15 -14.731 6.704 -9.835 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.211 6.561 -9.938 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.266 7.563 -10.971 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.746 5.127 -10.057 1.00 0.00 C ATOM 0 H ILE A 15 -13.847 5.859 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.794 8.351 -8.444 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.176 5.712 -9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.859 7.122 -10.804 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.751 7.012 -9.058 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.983 7.121 -11.926 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.353 7.618 -10.905 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.847 8.566 -10.897 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.658 5.102 -10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.067 4.566 -9.179 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.177 4.678 -10.952 1.00 0.00 H new ATOM 252 N LEU A 16 -17.140 6.099 -7.903 1.00 0.00 N ATOM 253 CA LEU A 16 -18.575 5.913 -7.713 1.00 0.00 C ATOM 254 C LEU A 16 -19.115 6.882 -6.666 1.00 0.00 C ATOM 255 O LEU A 16 -20.009 7.679 -6.947 1.00 0.00 O ATOM 256 CB LEU A 16 -18.871 4.472 -7.293 1.00 0.00 C ATOM 257 CG LEU A 16 -20.340 4.051 -7.331 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.847 4.012 -8.765 1.00 0.00 C ATOM 259 CD2 LEU A 16 -20.524 2.696 -6.662 1.00 0.00 C ATOM 0 H LEU A 16 -16.576 5.276 -7.689 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.072 6.118 -8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.305 3.802 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.498 4.326 -6.279 1.00 0.00 H new ATOM 0 HG LEU A 16 -20.924 4.788 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -21.894 3.710 -8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -20.751 5.002 -9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.259 3.296 -9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -21.576 2.412 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.928 1.948 -7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.200 2.756 -5.623 1.00 0.00 H new ATOM 271 N ASP A 17 -18.565 6.807 -5.459 1.00 0.00 N ATOM 272 CA ASP A 17 -18.989 7.680 -4.370 1.00 0.00 C ATOM 273 C ASP A 17 -18.702 9.141 -4.702 1.00 0.00 C ATOM 274 O ASP A 17 -19.490 10.028 -4.374 1.00 0.00 O ATOM 275 CB ASP A 17 -18.282 7.290 -3.071 1.00 0.00 C ATOM 276 CG ASP A 17 -18.883 7.973 -1.858 1.00 0.00 C ATOM 277 OD1 ASP A 17 -20.124 7.957 -1.723 1.00 0.00 O ATOM 278 OD2 ASP A 17 -18.111 8.521 -1.044 1.00 0.00 O ATOM 0 H ASP A 17 -17.825 6.151 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.064 7.561 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.338 6.209 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.226 7.548 -3.144 1.00 0.00 H new ATOM 283 N ASP A 18 -17.569 9.384 -5.352 1.00 0.00 N ATOM 284 CA ASP A 18 -17.178 10.737 -5.728 1.00 0.00 C ATOM 285 C ASP A 18 -18.174 11.336 -6.716 1.00 0.00 C ATOM 286 O ASP A 18 -18.729 12.409 -6.481 1.00 0.00 O ATOM 287 CB ASP A 18 -15.775 10.735 -6.337 1.00 0.00 C ATOM 288 CG ASP A 18 -14.687 10.711 -5.282 1.00 0.00 C ATOM 289 OD1 ASP A 18 -14.931 10.156 -4.190 1.00 0.00 O ATOM 290 OD2 ASP A 18 -13.590 11.247 -5.547 1.00 0.00 O ATOM 0 H ASP A 18 -16.905 8.661 -5.629 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.174 11.351 -4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.666 9.867 -6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.652 11.620 -6.962 1.00 0.00 H new ATOM 295 N ALA A 19 -18.395 10.635 -7.824 1.00 0.00 N ATOM 296 CA ALA A 19 -19.324 11.097 -8.847 1.00 0.00 C ATOM 297 C ALA A 19 -20.688 11.419 -8.246 1.00 0.00 C ATOM 298 O ALA A 19 -21.158 12.555 -8.318 1.00 0.00 O ATOM 299 CB ALA A 19 -19.463 10.052 -9.944 1.00 0.00 C ATOM 0 H ALA A 19 -17.943 9.745 -8.035 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.922 12.013 -9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.160 10.410 -10.702 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.490 9.873 -10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.839 9.123 -9.516 1.00 0.00 H new ATOM 305 N LYS A 20 -21.321 10.412 -7.652 1.00 0.00 N ATOM 306 CA LYS A 20 -22.631 10.587 -7.037 1.00 0.00 C ATOM 307 C LYS A 20 -22.610 11.731 -6.028 1.00 0.00 C ATOM 308 O LYS A 20 -23.591 12.458 -5.880 1.00 0.00 O ATOM 309 CB LYS A 20 -23.071 9.293 -6.349 1.00 0.00 C ATOM 310 CG LYS A 20 -22.236 8.938 -5.130 1.00 0.00 C ATOM 311 CD LYS A 20 -22.629 7.586 -4.560 1.00 0.00 C ATOM 312 CE LYS A 20 -24.079 7.575 -4.099 1.00 0.00 C ATOM 313 NZ LYS A 20 -24.196 7.264 -2.647 1.00 0.00 N ATOM 0 H LYS A 20 -20.947 9.466 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.344 10.833 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -24.115 9.387 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.018 8.474 -7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -21.180 8.926 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.360 9.706 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -22.481 6.814 -5.316 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.978 7.340 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -24.532 8.546 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -24.638 6.837 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -25.199 7.266 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -23.787 6.327 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -23.684 7.982 -2.096 1.00 0.00 H new ATOM 327 N ALA A 21 -21.484 11.884 -5.337 1.00 0.00 N ATOM 328 CA ALA A 21 -21.335 12.941 -4.345 1.00 0.00 C ATOM 329 C ALA A 21 -21.353 14.317 -5.002 1.00 0.00 C ATOM 330 O ALA A 21 -21.984 15.246 -4.498 1.00 0.00 O ATOM 331 CB ALA A 21 -20.047 12.747 -3.557 1.00 0.00 C ATOM 0 H ALA A 21 -20.663 11.289 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.180 12.884 -3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.948 13.543 -2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.073 11.783 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.196 12.775 -4.238 1.00 0.00 H new ATOM 337 N GLU A 22 -20.658 14.440 -6.128 1.00 0.00 N ATOM 338 CA GLU A 22 -20.595 15.704 -6.852 1.00 0.00 C ATOM 339 C GLU A 22 -21.987 16.154 -7.284 1.00 0.00 C ATOM 340 O GLU A 22 -22.320 17.336 -7.211 1.00 0.00 O ATOM 341 CB GLU A 22 -19.686 15.571 -8.076 1.00 0.00 C ATOM 342 CG GLU A 22 -18.678 16.699 -8.211 1.00 0.00 C ATOM 343 CD GLU A 22 -17.346 16.229 -8.764 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.575 15.608 -8.003 1.00 0.00 O ATOM 345 OE2 GLU A 22 -17.076 16.481 -9.956 1.00 0.00 O ATOM 0 H GLU A 22 -20.131 13.680 -6.559 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.181 16.457 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.152 14.623 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.303 15.537 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.087 17.470 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.520 17.159 -7.235 1.00 0.00 H new ATOM 352 N ALA A 23 -22.796 15.201 -7.736 1.00 0.00 N ATOM 353 CA ALA A 23 -24.153 15.498 -8.179 1.00 0.00 C ATOM 354 C ALA A 23 -25.103 15.622 -6.993 1.00 0.00 C ATOM 355 O ALA A 23 -26.178 16.211 -7.105 1.00 0.00 O ATOM 356 CB ALA A 23 -24.641 14.424 -9.140 1.00 0.00 C ATOM 0 H ALA A 23 -22.535 14.217 -7.805 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.138 16.456 -8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.655 14.658 -9.463 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.983 14.387 -10.008 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.634 13.456 -8.638 1.00 0.00 H new ATOM 362 N ASN A 24 -24.700 15.062 -5.857 1.00 0.00 N ATOM 363 CA ASN A 24 -25.517 15.109 -4.650 1.00 0.00 C ATOM 364 C ASN A 24 -25.254 16.390 -3.864 1.00 0.00 C ATOM 365 O ASN A 24 -26.067 16.802 -3.036 1.00 0.00 O ATOM 366 CB ASN A 24 -25.234 13.890 -3.769 1.00 0.00 C ATOM 367 CG ASN A 24 -26.166 12.732 -4.069 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.266 12.923 -4.586 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.728 11.521 -3.743 1.00 0.00 N ATOM 0 H ASN A 24 -23.813 14.571 -5.747 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.565 15.097 -4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.202 13.570 -3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.334 14.171 -2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.311 10.703 -3.920 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.809 11.409 -3.316 1.00 0.00 H new ATOM 376 N LYS A 25 -24.112 17.016 -4.129 1.00 0.00 N ATOM 377 CA LYS A 25 -23.741 18.251 -3.450 1.00 0.00 C ATOM 378 C LYS A 25 -24.289 19.467 -4.191 1.00 0.00 C ATOM 379 O LYS A 25 -24.679 20.458 -3.574 1.00 0.00 O ATOM 380 CB LYS A 25 -22.218 18.356 -3.333 1.00 0.00 C ATOM 381 CG LYS A 25 -21.735 18.646 -1.923 1.00 0.00 C ATOM 382 CD LYS A 25 -22.121 17.535 -0.961 1.00 0.00 C ATOM 383 CE LYS A 25 -21.276 17.573 0.303 1.00 0.00 C ATOM 384 NZ LYS A 25 -20.040 16.753 0.169 1.00 0.00 N ATOM 0 H LYS A 25 -23.427 16.687 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.176 18.230 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.770 17.423 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.864 19.144 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.652 18.766 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.159 19.590 -1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.175 17.630 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.000 16.569 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.005 18.605 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.865 17.208 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -19.492 16.805 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.299 15.764 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.465 17.117 -0.618 1.00 0.00 H new ATOM 398 N ILE A 26 -24.316 19.382 -5.517 1.00 0.00 N ATOM 399 CA ILE A 26 -24.818 20.474 -6.342 1.00 0.00 C ATOM 400 C ILE A 26 -26.325 20.640 -6.175 1.00 0.00 C ATOM 401 O ILE A 26 -26.843 21.757 -6.198 1.00 0.00 O ATOM 402 CB ILE A 26 -24.500 20.247 -7.831 1.00 0.00 C ATOM 403 CG1 ILE A 26 -25.136 18.943 -8.318 1.00 0.00 C ATOM 404 CG2 ILE A 26 -22.995 20.225 -8.054 1.00 0.00 C ATOM 405 CD1 ILE A 26 -26.438 19.146 -9.061 1.00 0.00 C ATOM 0 H ILE A 26 -23.996 18.569 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 26 -24.315 21.381 -6.006 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.921 21.071 -8.407 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -24.432 18.426 -8.970 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -25.313 18.293 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -22.786 20.064 -9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.567 21.177 -7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.552 19.418 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.831 18.180 -9.376 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -27.159 19.635 -8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -26.263 19.770 -9.937 1.00 0.00 H new ATOM 417 N ILE A 27 -27.023 19.522 -6.005 1.00 0.00 N ATOM 418 CA ILE A 27 -28.470 19.545 -5.831 1.00 0.00 C ATOM 419 C ILE A 27 -28.851 20.108 -4.466 1.00 0.00 C ATOM 420 O ILE A 27 -29.894 20.742 -4.314 1.00 0.00 O ATOM 421 CB ILE A 27 -29.076 18.137 -5.980 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.365 17.150 -5.053 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.987 17.673 -7.427 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.275 16.531 -4.016 1.00 0.00 C ATOM 0 H ILE A 27 -26.610 18.590 -5.984 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.872 20.190 -6.612 1.00 0.00 H new ATOM 0 HB ILE A 27 -30.128 18.178 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.920 16.357 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.548 17.664 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -29.419 16.676 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -29.536 18.365 -8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.942 17.645 -7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.703 15.842 -3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.701 17.316 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.078 15.988 -4.514 1.00 0.00 H new ATOM 436 N SER A 28 -27.996 19.872 -3.475 1.00 0.00 N ATOM 437 CA SER A 28 -28.244 20.354 -2.121 1.00 0.00 C ATOM 438 C SER A 28 -27.789 21.803 -1.969 1.00 0.00 C ATOM 439 O SER A 28 -28.539 22.652 -1.488 1.00 0.00 O ATOM 440 CB SER A 28 -27.521 19.471 -1.103 1.00 0.00 C ATOM 441 OG SER A 28 -28.390 19.088 -0.052 1.00 0.00 O ATOM 0 H SER A 28 -27.126 19.350 -3.585 1.00 0.00 H new ATOM 0 HA SER A 28 -29.317 20.307 -1.935 1.00 0.00 H new ATOM 0 HB2 SER A 28 -27.132 18.582 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 28 -26.665 20.008 -0.694 1.00 0.00 H new ATOM 0 HG SER A 28 -27.904 18.523 0.584 1.00 0.00 H new ATOM 447 N GLU A 29 -26.556 22.076 -2.382 1.00 0.00 N ATOM 448 CA GLU A 29 -26.001 23.421 -2.290 1.00 0.00 C ATOM 449 C GLU A 29 -26.828 24.408 -3.109 1.00 0.00 C ATOM 450 O GLU A 29 -26.793 25.614 -2.867 1.00 0.00 O ATOM 451 CB GLU A 29 -24.549 23.432 -2.774 1.00 0.00 C ATOM 452 CG GLU A 29 -23.562 22.895 -1.750 1.00 0.00 C ATOM 453 CD GLU A 29 -22.282 23.705 -1.694 1.00 0.00 C ATOM 454 OE1 GLU A 29 -21.617 23.837 -2.743 1.00 0.00 O ATOM 455 OE2 GLU A 29 -21.944 24.207 -0.601 1.00 0.00 O ATOM 0 H GLU A 29 -25.923 21.384 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.031 23.728 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.474 22.838 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.270 24.453 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.030 22.894 -0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -23.322 21.859 -1.990 1.00 0.00 H new ATOM 462 N ALA A 30 -27.572 23.886 -4.079 1.00 0.00 N ATOM 463 CA ALA A 30 -28.409 24.719 -4.932 1.00 0.00 C ATOM 464 C ALA A 30 -29.765 24.980 -4.285 1.00 0.00 C ATOM 465 O ALA A 30 -30.079 26.111 -3.917 1.00 0.00 O ATOM 466 CB ALA A 30 -28.590 24.066 -6.294 1.00 0.00 C ATOM 0 H ALA A 30 -27.612 22.890 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.908 25.678 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -29.218 24.700 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.617 23.937 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -29.065 23.093 -6.171 1.00 0.00 H new ATOM 472 N GLU A 31 -30.564 23.926 -4.149 1.00 0.00 N ATOM 473 CA GLU A 31 -31.887 24.043 -3.547 1.00 0.00 C ATOM 474 C GLU A 31 -31.812 24.764 -2.204 1.00 0.00 C ATOM 475 O GLU A 31 -32.756 25.440 -1.797 1.00 0.00 O ATOM 476 CB GLU A 31 -32.511 22.658 -3.361 1.00 0.00 C ATOM 477 CG GLU A 31 -32.560 21.836 -4.638 1.00 0.00 C ATOM 478 CD GLU A 31 -33.962 21.721 -5.205 1.00 0.00 C ATOM 479 OE1 GLU A 31 -34.705 20.818 -4.766 1.00 0.00 O ATOM 480 OE2 GLU A 31 -34.315 22.532 -6.086 1.00 0.00 O ATOM 0 H GLU A 31 -30.318 22.982 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.514 24.629 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -31.943 22.111 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -33.524 22.774 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.907 22.290 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -32.170 20.838 -4.438 1.00 0.00 H new ATOM 487 N ALA A 32 -30.682 24.613 -1.521 1.00 0.00 N ATOM 488 CA ALA A 32 -30.482 25.250 -0.225 1.00 0.00 C ATOM 489 C ALA A 32 -30.341 26.761 -0.372 1.00 0.00 C ATOM 490 O ALA A 32 -31.236 27.516 0.005 1.00 0.00 O ATOM 491 CB ALA A 32 -29.257 24.668 0.465 1.00 0.00 C ATOM 0 H ALA A 32 -29.891 24.055 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.360 25.052 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.119 25.153 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.397 23.597 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.376 24.837 -0.154 1.00 0.00 H new ATOM 497 N GLU A 33 -29.211 27.195 -0.922 1.00 0.00 N ATOM 498 CA GLU A 33 -28.954 28.617 -1.117 1.00 0.00 C ATOM 499 C GLU A 33 -30.106 29.280 -1.866 1.00 0.00 C ATOM 500 O GLU A 33 -30.528 30.386 -1.526 1.00 0.00 O ATOM 501 CB GLU A 33 -27.647 28.821 -1.885 1.00 0.00 C ATOM 502 CG GLU A 33 -26.403 28.593 -1.043 1.00 0.00 C ATOM 503 CD GLU A 33 -25.131 28.598 -1.867 1.00 0.00 C ATOM 504 OE1 GLU A 33 -24.890 29.596 -2.579 1.00 0.00 O ATOM 505 OE2 GLU A 33 -24.376 27.605 -1.801 1.00 0.00 O ATOM 0 H GLU A 33 -28.460 26.583 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 33 -28.866 29.082 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.627 28.143 -2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.624 29.835 -2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.339 29.368 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.491 27.639 -0.523 1.00 0.00 H new ATOM 512 N LYS A 34 -30.610 28.598 -2.888 1.00 0.00 N ATOM 513 CA LYS A 34 -31.714 29.118 -3.687 1.00 0.00 C ATOM 514 C LYS A 34 -32.924 29.424 -2.809 1.00 0.00 C ATOM 515 O LYS A 34 -33.350 30.573 -2.702 1.00 0.00 O ATOM 516 CB LYS A 34 -32.100 28.115 -4.775 1.00 0.00 C ATOM 517 CG LYS A 34 -33.396 28.460 -5.489 1.00 0.00 C ATOM 518 CD LYS A 34 -33.807 27.366 -6.459 1.00 0.00 C ATOM 519 CE LYS A 34 -33.592 27.793 -7.903 1.00 0.00 C ATOM 520 NZ LYS A 34 -33.777 26.658 -8.850 1.00 0.00 N ATOM 0 H LYS A 34 -30.271 27.682 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.385 30.045 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -31.295 28.059 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -32.194 27.125 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -34.187 28.613 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -33.276 29.400 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -33.232 26.463 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -34.857 27.117 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -34.290 28.592 -8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -32.587 28.200 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -33.622 26.989 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -33.094 25.906 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -34.744 26.286 -8.761 1.00 0.00 H new ATOM 534 N ALA A 35 -33.471 28.387 -2.182 1.00 0.00 N ATOM 535 CA ALA A 35 -34.629 28.546 -1.311 1.00 0.00 C ATOM 536 C ALA A 35 -34.335 29.527 -0.181 1.00 0.00 C ATOM 537 O ALA A 35 -35.251 30.039 0.464 1.00 0.00 O ATOM 538 CB ALA A 35 -35.053 27.198 -0.747 1.00 0.00 C ATOM 0 H ALA A 35 -33.131 27.429 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.448 28.952 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -35.919 27.331 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.313 26.527 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.232 26.769 -0.173 1.00 0.00 H new ATOM 544 N LYS A 36 -33.053 29.784 0.055 1.00 0.00 N ATOM 545 CA LYS A 36 -32.638 30.704 1.108 1.00 0.00 C ATOM 546 C LYS A 36 -32.712 32.149 0.627 1.00 0.00 C ATOM 547 O LYS A 36 -33.342 32.994 1.264 1.00 0.00 O ATOM 548 CB LYS A 36 -31.214 30.379 1.565 1.00 0.00 C ATOM 549 CG LYS A 36 -30.820 31.066 2.860 1.00 0.00 C ATOM 550 CD LYS A 36 -29.886 30.200 3.689 1.00 0.00 C ATOM 551 CE LYS A 36 -28.545 30.006 2.997 1.00 0.00 C ATOM 552 NZ LYS A 36 -28.209 28.565 2.834 1.00 0.00 N ATOM 0 H LYS A 36 -32.283 29.368 -0.469 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.319 30.585 1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.119 29.301 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.514 30.670 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -30.334 32.016 2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.715 31.295 3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -29.730 30.661 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.349 29.229 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -28.568 30.486 2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -27.763 30.498 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.288 28.475 2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -28.162 28.112 3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -28.942 28.100 2.261 1.00 0.00 H new ATOM 566 N ILE A 37 -32.066 32.427 -0.501 1.00 0.00 N ATOM 567 CA ILE A 37 -32.061 33.770 -1.067 1.00 0.00 C ATOM 568 C ILE A 37 -33.417 34.116 -1.673 1.00 0.00 C ATOM 569 O ILE A 37 -33.809 35.283 -1.718 1.00 0.00 O ATOM 570 CB ILE A 37 -30.975 33.921 -2.148 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.124 32.827 -3.208 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.590 33.871 -1.519 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.961 33.332 -4.625 1.00 0.00 C ATOM 0 H ILE A 37 -31.540 31.740 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.845 34.457 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 37 -31.098 34.890 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.385 32.048 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -32.106 32.365 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.833 33.979 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.488 34.682 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.455 32.916 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -31.079 32.503 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -31.717 34.090 -4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.969 33.768 -4.744 1.00 0.00 H new ATOM 585 N LEU A 38 -34.130 33.095 -2.135 1.00 0.00 N ATOM 586 CA LEU A 38 -35.444 33.290 -2.737 1.00 0.00 C ATOM 587 C LEU A 38 -36.446 33.798 -1.705 1.00 0.00 C ATOM 588 O LEU A 38 -37.288 34.643 -2.007 1.00 0.00 O ATOM 589 CB LEU A 38 -35.946 31.981 -3.350 1.00 0.00 C ATOM 590 CG LEU A 38 -35.660 31.785 -4.839 1.00 0.00 C ATOM 591 CD1 LEU A 38 -36.411 32.816 -5.667 1.00 0.00 C ATOM 592 CD2 LEU A 38 -34.165 31.866 -5.111 1.00 0.00 C ATOM 0 H LEU A 38 -33.820 32.124 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.348 34.039 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.499 31.151 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -37.023 31.921 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 38 -36.008 30.793 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -36.195 32.661 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -37.482 32.710 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -36.095 33.817 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.981 31.724 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.792 32.843 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.650 31.088 -4.547 1.00 0.00 H new ATOM 604 N GLU A 39 -36.346 33.278 -0.485 1.00 0.00 N ATOM 605 CA GLU A 39 -37.243 33.681 0.592 1.00 0.00 C ATOM 606 C GLU A 39 -36.659 34.852 1.377 1.00 0.00 C ATOM 607 O GLU A 39 -37.393 35.665 1.939 1.00 0.00 O ATOM 608 CB GLU A 39 -37.507 32.503 1.533 1.00 0.00 C ATOM 609 CG GLU A 39 -36.273 32.040 2.289 1.00 0.00 C ATOM 610 CD GLU A 39 -36.000 32.874 3.526 1.00 0.00 C ATOM 611 OE1 GLU A 39 -36.969 33.394 4.118 1.00 0.00 O ATOM 612 OE2 GLU A 39 -34.816 33.007 3.901 1.00 0.00 O ATOM 0 H GLU A 39 -35.654 32.578 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.185 33.999 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -38.277 32.787 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.903 31.668 0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -36.399 30.997 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -35.408 32.084 1.627 1.00 0.00 H new ATOM 619 N LYS A 40 -35.333 34.931 1.411 1.00 0.00 N ATOM 620 CA LYS A 40 -34.649 36.002 2.125 1.00 0.00 C ATOM 621 C LYS A 40 -34.712 37.308 1.339 1.00 0.00 C ATOM 622 O LYS A 40 -34.991 38.368 1.899 1.00 0.00 O ATOM 623 CB LYS A 40 -33.189 35.620 2.383 1.00 0.00 C ATOM 624 CG LYS A 40 -32.409 36.676 3.146 1.00 0.00 C ATOM 625 CD LYS A 40 -32.967 36.879 4.545 1.00 0.00 C ATOM 626 CE LYS A 40 -32.226 37.982 5.286 1.00 0.00 C ATOM 627 NZ LYS A 40 -32.527 37.969 6.744 1.00 0.00 N ATOM 0 H LYS A 40 -34.711 34.266 0.952 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.155 36.148 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.160 34.685 2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.696 35.436 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -31.362 36.381 3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -32.441 37.619 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -34.026 37.129 4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -32.892 35.948 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -31.153 37.863 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -32.501 38.950 4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -32.003 38.735 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -33.547 38.108 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -32.241 37.055 7.149 1.00 0.00 H new ATOM 641 N ALA A 41 -34.452 37.224 0.039 1.00 0.00 N ATOM 642 CA ALA A 41 -34.483 38.398 -0.824 1.00 0.00 C ATOM 643 C ALA A 41 -35.914 38.866 -1.063 1.00 0.00 C ATOM 644 O ALA A 41 -36.220 40.052 -0.937 1.00 0.00 O ATOM 645 CB ALA A 41 -33.796 38.098 -2.148 1.00 0.00 C ATOM 0 H ALA A 41 -34.217 36.355 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.945 39.202 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.827 38.984 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.758 37.819 -1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.310 37.276 -2.647 1.00 0.00 H new ATOM 651 N LYS A 42 -36.789 37.927 -1.410 1.00 0.00 N ATOM 652 CA LYS A 42 -38.189 38.243 -1.666 1.00 0.00 C ATOM 653 C LYS A 42 -38.846 38.846 -0.429 1.00 0.00 C ATOM 654 O LYS A 42 -39.809 39.605 -0.535 1.00 0.00 O ATOM 655 CB LYS A 42 -38.946 36.984 -2.096 1.00 0.00 C ATOM 656 CG LYS A 42 -40.382 37.251 -2.515 1.00 0.00 C ATOM 657 CD LYS A 42 -40.454 37.841 -3.913 1.00 0.00 C ATOM 658 CE LYS A 42 -40.571 39.357 -3.872 1.00 0.00 C ATOM 659 NZ LYS A 42 -39.474 40.019 -4.632 1.00 0.00 N ATOM 0 H LYS A 42 -36.553 36.941 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 42 -38.229 38.977 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.415 36.517 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.943 36.270 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -40.951 36.322 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -40.848 37.935 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -39.564 37.559 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -41.310 37.423 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -41.533 39.658 -4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -40.550 39.695 -2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -39.299 40.965 -4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -38.608 39.448 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -39.748 40.107 -5.631 1.00 0.00 H new ATOM 673 N GLU A 43 -38.318 38.505 0.742 1.00 0.00 N ATOM 674 CA GLU A 43 -38.854 39.015 1.999 1.00 0.00 C ATOM 675 C GLU A 43 -38.165 40.318 2.395 1.00 0.00 C ATOM 676 O GLU A 43 -38.823 41.306 2.718 1.00 0.00 O ATOM 677 CB GLU A 43 -38.685 37.977 3.110 1.00 0.00 C ATOM 678 CG GLU A 43 -39.271 38.411 4.443 1.00 0.00 C ATOM 679 CD GLU A 43 -40.299 37.432 4.975 1.00 0.00 C ATOM 680 OE1 GLU A 43 -41.381 37.317 4.361 1.00 0.00 O ATOM 681 OE2 GLU A 43 -40.023 36.782 6.005 1.00 0.00 O ATOM 0 H GLU A 43 -37.520 37.878 0.847 1.00 0.00 H new ATOM 0 HA GLU A 43 -39.916 39.214 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.159 37.045 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.624 37.767 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.467 38.519 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -39.733 39.392 4.330 1.00 0.00 H new ATOM 688 N GLU A 44 -36.836 40.309 2.370 1.00 0.00 N ATOM 689 CA GLU A 44 -36.058 41.489 2.728 1.00 0.00 C ATOM 690 C GLU A 44 -36.331 42.636 1.759 1.00 0.00 C ATOM 691 O GLU A 44 -36.253 43.807 2.129 1.00 0.00 O ATOM 692 CB GLU A 44 -34.564 41.159 2.736 1.00 0.00 C ATOM 693 CG GLU A 44 -33.669 42.387 2.753 1.00 0.00 C ATOM 694 CD GLU A 44 -32.195 42.034 2.809 1.00 0.00 C ATOM 695 OE1 GLU A 44 -31.670 41.521 1.798 1.00 0.00 O ATOM 696 OE2 GLU A 44 -31.568 42.270 3.862 1.00 0.00 O ATOM 0 H GLU A 44 -36.276 39.498 2.106 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.360 41.801 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.341 40.545 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.328 40.560 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -33.862 42.985 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -33.924 43.006 3.614 1.00 0.00 H new ATOM 703 N ALA A 45 -36.650 42.289 0.516 1.00 0.00 N ATOM 704 CA ALA A 45 -36.936 43.288 -0.506 1.00 0.00 C ATOM 705 C ALA A 45 -38.325 43.888 -0.314 1.00 0.00 C ATOM 706 O ALA A 45 -38.490 45.107 -0.324 1.00 0.00 O ATOM 707 CB ALA A 45 -36.811 42.675 -1.893 1.00 0.00 C ATOM 0 H ALA A 45 -36.717 41.324 0.193 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.205 44.091 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -37.027 43.432 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.797 42.301 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -37.519 41.852 -1.992 1.00 0.00 H new ATOM 713 N GLU A 46 -39.319 43.024 -0.139 1.00 0.00 N ATOM 714 CA GLU A 46 -40.694 43.470 0.053 1.00 0.00 C ATOM 715 C GLU A 46 -40.864 44.134 1.417 1.00 0.00 C ATOM 716 O GLU A 46 -41.735 44.984 1.602 1.00 0.00 O ATOM 717 CB GLU A 46 -41.660 42.290 -0.076 1.00 0.00 C ATOM 718 CG GLU A 46 -41.824 41.792 -1.502 1.00 0.00 C ATOM 719 CD GLU A 46 -42.470 42.821 -2.409 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.492 43.412 -2.001 1.00 0.00 O ATOM 721 OE2 GLU A 46 -41.955 43.035 -3.526 1.00 0.00 O ATOM 0 H GLU A 46 -39.198 42.011 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.923 44.203 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -41.304 41.470 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -42.635 42.585 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -40.847 41.522 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -42.429 40.885 -1.499 1.00 0.00 H new ATOM 728 N LYS A 47 -40.026 43.739 2.369 1.00 0.00 N ATOM 729 CA LYS A 47 -40.082 44.294 3.716 1.00 0.00 C ATOM 730 C LYS A 47 -39.184 45.521 3.836 1.00 0.00 C ATOM 731 O LYS A 47 -39.656 46.621 4.126 1.00 0.00 O ATOM 732 CB LYS A 47 -39.661 43.239 4.743 1.00 0.00 C ATOM 733 CG LYS A 47 -40.659 42.104 4.892 1.00 0.00 C ATOM 734 CD LYS A 47 -42.033 42.618 5.291 1.00 0.00 C ATOM 735 CE LYS A 47 -41.973 43.422 6.581 1.00 0.00 C ATOM 736 NZ LYS A 47 -42.927 42.905 7.602 1.00 0.00 N ATOM 0 H LYS A 47 -39.299 43.036 2.233 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.110 44.596 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -38.695 42.826 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -39.524 43.721 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -40.733 41.558 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.301 41.400 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -42.437 43.240 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -42.715 41.777 5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -40.960 43.390 6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -42.199 44.467 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -42.856 43.479 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.897 42.959 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -42.696 41.916 7.824 1.00 0.00 H new