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+ -151:sc= -0.166 (180deg=-0.768) USER MOD Single : A 13 SER OG : rot 100:sc= 1.22 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= -0.156 K(o=-0.16,f=-0.73) 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+ -169:sc= -0.0497 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -12.238 -2.542 -5.741 1.00 0.00 N ATOM 126 CA ASP A 9 -13.349 -2.049 -4.935 1.00 0.00 C ATOM 127 C ASP A 9 -13.106 -0.609 -4.496 1.00 0.00 C ATOM 128 O ASP A 9 -14.048 0.155 -4.283 1.00 0.00 O ATOM 129 CB ASP A 9 -13.554 -2.941 -3.710 1.00 0.00 C ATOM 130 CG ASP A 9 -14.586 -4.025 -3.949 1.00 0.00 C ATOM 131 OD1 ASP A 9 -14.473 -4.738 -4.968 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.508 -4.161 -3.117 1.00 0.00 O ATOM 0 HA ASP A 9 -14.249 -2.075 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.605 -3.401 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.866 -2.327 -2.865 1.00 0.00 H new ATOM 137 N LYS A 10 -11.835 -0.244 -4.362 1.00 0.00 N ATOM 138 CA LYS A 10 -11.466 1.105 -3.948 1.00 0.00 C ATOM 139 C LYS A 10 -11.617 2.089 -5.104 1.00 0.00 C ATOM 140 O LYS A 10 -12.255 3.133 -4.963 1.00 0.00 O ATOM 141 CB LYS A 10 -10.025 1.126 -3.432 1.00 0.00 C ATOM 142 CG LYS A 10 -9.866 1.844 -2.103 1.00 0.00 C ATOM 143 CD LYS A 10 -8.452 1.710 -1.563 1.00 0.00 C ATOM 144 CE LYS A 10 -8.061 2.913 -0.719 1.00 0.00 C ATOM 145 NZ LYS A 10 -6.714 3.432 -1.083 1.00 0.00 N ATOM 0 H LYS A 10 -11.043 -0.864 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.138 1.408 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.671 0.101 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.389 1.608 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.111 2.899 -2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.573 1.435 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.375 0.803 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.753 1.604 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.801 3.703 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.071 2.636 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.485 4.252 -0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.004 2.687 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.712 3.721 -2.082 1.00 0.00 H new ATOM 159 N ILE A 11 -11.028 1.749 -6.245 1.00 0.00 N ATOM 160 CA ILE A 11 -11.101 2.602 -7.425 1.00 0.00 C ATOM 161 C ILE A 11 -12.527 2.684 -7.957 1.00 0.00 C ATOM 162 O ILE A 11 -12.973 3.738 -8.412 1.00 0.00 O ATOM 163 CB ILE A 11 -10.176 2.092 -8.546 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.515 0.642 -8.897 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.718 2.214 -8.126 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.558 0.512 -9.985 1.00 0.00 C ATOM 0 H ILE A 11 -10.495 0.889 -6.378 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.773 3.595 -7.117 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.331 2.706 -9.433 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.606 0.131 -9.214 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.871 0.133 -8.001 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.077 1.850 -8.928 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.485 3.259 -7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.547 1.621 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.749 -0.543 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.481 0.994 -9.663 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.197 0.991 -10.895 1.00 0.00 H new ATOM 178 N LYS A 12 -13.241 1.566 -7.896 1.00 0.00 N ATOM 179 CA LYS A 12 -14.620 1.510 -8.368 1.00 0.00 C ATOM 180 C LYS A 12 -15.548 2.274 -7.429 1.00 0.00 C ATOM 181 O LYS A 12 -16.595 2.771 -7.845 1.00 0.00 O ATOM 182 CB LYS A 12 -15.082 0.056 -8.487 1.00 0.00 C ATOM 183 CG LYS A 12 -16.568 -0.089 -8.765 1.00 0.00 C ATOM 184 CD LYS A 12 -17.361 -0.266 -7.481 1.00 0.00 C ATOM 185 CE LYS A 12 -17.628 -1.735 -7.189 1.00 0.00 C ATOM 186 NZ LYS A 12 -18.443 -2.374 -8.259 1.00 0.00 N ATOM 0 H LYS A 12 -12.887 0.685 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.660 1.979 -9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.522 -0.430 -9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.841 -0.470 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.927 0.792 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.735 -0.946 -9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.813 0.178 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.308 0.268 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.680 -2.264 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.146 -1.827 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.004 -3.149 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.081 -1.668 -8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.814 -2.752 -8.995 1.00 0.00 H new ATOM 200 N SER A 13 -15.156 2.366 -6.162 1.00 0.00 N ATOM 201 CA SER A 13 -15.954 3.068 -5.164 1.00 0.00 C ATOM 202 C SER A 13 -15.543 4.534 -5.073 1.00 0.00 C ATOM 203 O SER A 13 -16.331 5.388 -4.667 1.00 0.00 O ATOM 204 CB SER A 13 -15.804 2.398 -3.797 1.00 0.00 C ATOM 205 OG SER A 13 -16.414 1.119 -3.785 1.00 0.00 O ATOM 0 H SER A 13 -14.291 1.963 -5.803 1.00 0.00 H new ATOM 0 HA SER A 13 -16.999 3.020 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.747 2.302 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.255 3.027 -3.029 1.00 0.00 H new ATOM 0 HG SER A 13 -15.728 0.428 -3.897 1.00 0.00 H new ATOM 211 N LYS A 14 -14.302 4.819 -5.454 1.00 0.00 N ATOM 212 CA LYS A 14 -13.784 6.181 -5.418 1.00 0.00 C ATOM 213 C LYS A 14 -14.582 7.092 -6.345 1.00 0.00 C ATOM 214 O LYS A 14 -15.301 7.982 -5.887 1.00 0.00 O ATOM 215 CB LYS A 14 -12.307 6.197 -5.818 1.00 0.00 C ATOM 216 CG LYS A 14 -11.509 7.305 -5.153 1.00 0.00 C ATOM 217 CD LYS A 14 -12.152 8.664 -5.372 1.00 0.00 C ATOM 218 CE LYS A 14 -12.211 9.021 -6.849 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.369 10.207 -7.168 1.00 0.00 N ATOM 0 H LYS A 14 -13.636 4.124 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.883 6.554 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.860 5.236 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.233 6.307 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.430 7.107 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.494 7.313 -5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.160 8.662 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.587 9.426 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.878 8.169 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.244 9.222 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.437 10.418 -8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.703 11.027 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.379 10.006 -6.921 1.00 0.00 H new ATOM 233 N ILE A 15 -14.453 6.864 -7.647 1.00 0.00 N ATOM 234 CA ILE A 15 -15.164 7.663 -8.637 1.00 0.00 C ATOM 235 C ILE A 15 -16.671 7.606 -8.409 1.00 0.00 C ATOM 236 O ILE A 15 -17.368 8.613 -8.538 1.00 0.00 O ATOM 237 CB ILE A 15 -14.854 7.192 -10.070 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.344 7.047 -10.267 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.436 8.164 -11.085 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.904 5.627 -10.545 1.00 0.00 C ATOM 0 H ILE A 15 -13.862 6.132 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.820 8.690 -8.520 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.316 6.217 -10.224 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.031 7.684 -11.094 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.833 7.409 -9.375 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.208 7.817 -12.093 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.517 8.221 -10.956 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.000 9.152 -10.934 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.822 5.600 -10.674 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.186 4.988 -9.708 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.387 5.268 -11.454 1.00 0.00 H new ATOM 252 N LEU A 16 -17.167 6.421 -8.069 1.00 0.00 N ATOM 253 CA LEU A 16 -18.592 6.231 -7.822 1.00 0.00 C ATOM 254 C LEU A 16 -19.060 7.086 -6.648 1.00 0.00 C ATOM 255 O LEU A 16 -19.937 7.937 -6.797 1.00 0.00 O ATOM 256 CB LEU A 16 -18.890 4.757 -7.543 1.00 0.00 C ATOM 257 CG LEU A 16 -19.207 3.894 -8.765 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.604 4.198 -9.284 1.00 0.00 C ATOM 259 CD2 LEU A 16 -18.171 4.114 -9.857 1.00 0.00 C ATOM 0 H LEU A 16 -16.604 5.578 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.134 6.543 -8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.031 4.324 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.734 4.701 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.172 2.847 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.813 3.575 -10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.336 3.989 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.666 5.249 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.413 3.492 -10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.173 5.163 -10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -17.184 3.846 -9.481 1.00 0.00 H new ATOM 271 N ASP A 17 -18.466 6.856 -5.482 1.00 0.00 N ATOM 272 CA ASP A 17 -18.819 7.608 -4.283 1.00 0.00 C ATOM 273 C ASP A 17 -18.528 9.094 -4.468 1.00 0.00 C ATOM 274 O ASP A 17 -19.275 9.947 -3.989 1.00 0.00 O ATOM 275 CB ASP A 17 -18.051 7.071 -3.074 1.00 0.00 C ATOM 276 CG ASP A 17 -18.699 7.456 -1.759 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.818 8.009 -1.788 1.00 0.00 O ATOM 278 OD2 ASP A 17 -18.087 7.203 -0.700 1.00 0.00 O ATOM 0 H ASP A 17 -17.738 6.155 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.888 7.485 -4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.988 5.985 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.030 7.451 -3.098 1.00 0.00 H new ATOM 283 N ASP A 18 -17.438 9.396 -5.164 1.00 0.00 N ATOM 284 CA ASP A 18 -17.048 10.779 -5.412 1.00 0.00 C ATOM 285 C ASP A 18 -18.081 11.486 -6.284 1.00 0.00 C ATOM 286 O ASP A 18 -18.649 12.503 -5.888 1.00 0.00 O ATOM 287 CB ASP A 18 -15.674 10.831 -6.083 1.00 0.00 C ATOM 288 CG ASP A 18 -15.134 12.244 -6.186 1.00 0.00 C ATOM 289 OD1 ASP A 18 -14.497 12.708 -5.217 1.00 0.00 O ATOM 290 OD2 ASP A 18 -15.349 12.886 -7.236 1.00 0.00 O ATOM 0 H ASP A 18 -16.809 8.702 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.995 11.294 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.973 10.217 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.743 10.398 -7.081 1.00 0.00 H new ATOM 295 N ALA A 19 -18.317 10.942 -7.473 1.00 0.00 N ATOM 296 CA ALA A 19 -19.281 11.520 -8.401 1.00 0.00 C ATOM 297 C ALA A 19 -20.643 11.696 -7.738 1.00 0.00 C ATOM 298 O ALA A 19 -21.229 12.778 -7.777 1.00 0.00 O ATOM 299 CB ALA A 19 -19.405 10.651 -9.643 1.00 0.00 C ATOM 0 H ALA A 19 -17.853 10.101 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.919 12.505 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.128 11.095 -10.327 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.435 10.580 -10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.740 9.654 -9.357 1.00 0.00 H new ATOM 305 N LYS A 20 -21.142 10.626 -7.129 1.00 0.00 N ATOM 306 CA LYS A 20 -22.435 10.661 -6.456 1.00 0.00 C ATOM 307 C LYS A 20 -22.438 11.698 -5.337 1.00 0.00 C ATOM 308 O LYS A 20 -23.426 12.404 -5.135 1.00 0.00 O ATOM 309 CB LYS A 20 -22.775 9.281 -5.889 1.00 0.00 C ATOM 310 CG LYS A 20 -23.013 8.227 -6.955 1.00 0.00 C ATOM 311 CD LYS A 20 -24.140 8.627 -7.894 1.00 0.00 C ATOM 312 CE LYS A 20 -23.606 9.086 -9.242 1.00 0.00 C ATOM 313 NZ LYS A 20 -24.630 9.838 -10.017 1.00 0.00 N ATOM 0 H LYS A 20 -20.670 9.723 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.191 10.942 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.962 8.953 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.666 9.363 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -22.098 8.074 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -23.254 7.276 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -24.813 7.782 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -24.725 9.428 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -22.730 9.717 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -23.279 8.220 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -24.227 10.133 -10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -25.456 9.228 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -24.924 10.679 -9.480 1.00 0.00 H new ATOM 327 N ALA A 21 -21.327 11.784 -4.614 1.00 0.00 N ATOM 328 CA ALA A 21 -21.201 12.737 -3.518 1.00 0.00 C ATOM 329 C ALA A 21 -21.245 14.172 -4.031 1.00 0.00 C ATOM 330 O ALA A 21 -22.021 14.992 -3.541 1.00 0.00 O ATOM 331 CB ALA A 21 -19.912 12.489 -2.748 1.00 0.00 C ATOM 0 H ALA A 21 -20.501 11.205 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.046 12.593 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.831 13.208 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.920 11.478 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.060 12.603 -3.418 1.00 0.00 H new ATOM 337 N GLU A 22 -20.406 14.469 -5.019 1.00 0.00 N ATOM 338 CA GLU A 22 -20.349 15.807 -5.596 1.00 0.00 C ATOM 339 C GLU A 22 -21.723 16.243 -6.096 1.00 0.00 C ATOM 340 O GLU A 22 -22.099 17.408 -5.973 1.00 0.00 O ATOM 341 CB GLU A 22 -19.339 15.848 -6.745 1.00 0.00 C ATOM 342 CG GLU A 22 -18.399 17.040 -6.687 1.00 0.00 C ATOM 343 CD GLU A 22 -16.971 16.674 -7.041 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.438 15.715 -6.445 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.386 17.348 -7.915 1.00 0.00 O ATOM 0 H GLU A 22 -19.757 13.802 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.030 16.498 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.750 14.931 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.879 15.868 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.753 17.811 -7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.423 17.468 -5.685 1.00 0.00 H new ATOM 352 N ALA A 23 -22.468 15.298 -6.660 1.00 0.00 N ATOM 353 CA ALA A 23 -23.800 15.583 -7.178 1.00 0.00 C ATOM 354 C ALA A 23 -24.831 15.609 -6.054 1.00 0.00 C ATOM 355 O ALA A 23 -25.908 16.186 -6.201 1.00 0.00 O ATOM 356 CB ALA A 23 -24.189 14.555 -8.230 1.00 0.00 C ATOM 0 H ALA A 23 -22.171 14.328 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.780 16.570 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.186 14.781 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.474 14.587 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.186 13.560 -7.785 1.00 0.00 H new ATOM 362 N ASN A 24 -24.494 14.981 -4.933 1.00 0.00 N ATOM 363 CA ASN A 24 -25.392 14.931 -3.785 1.00 0.00 C ATOM 364 C ASN A 24 -25.254 16.188 -2.932 1.00 0.00 C ATOM 365 O ASN A 24 -26.192 16.591 -2.243 1.00 0.00 O ATOM 366 CB ASN A 24 -25.101 13.691 -2.937 1.00 0.00 C ATOM 367 CG ASN A 24 -26.030 12.537 -3.262 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.227 12.731 -3.476 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.481 11.329 -3.300 1.00 0.00 N ATOM 0 H ASN A 24 -23.606 14.499 -4.795 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.415 14.876 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.069 13.379 -3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.197 13.945 -1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.056 10.514 -3.513 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.484 11.216 -3.116 1.00 0.00 H new ATOM 376 N LYS A 25 -24.079 16.806 -2.983 1.00 0.00 N ATOM 377 CA LYS A 25 -23.817 18.019 -2.218 1.00 0.00 C ATOM 378 C LYS A 25 -24.174 19.261 -3.028 1.00 0.00 C ATOM 379 O LYS A 25 -24.378 20.339 -2.470 1.00 0.00 O ATOM 380 CB LYS A 25 -22.346 18.075 -1.800 1.00 0.00 C ATOM 381 CG LYS A 25 -21.921 16.918 -0.913 1.00 0.00 C ATOM 382 CD LYS A 25 -22.798 16.811 0.323 1.00 0.00 C ATOM 383 CE LYS A 25 -21.970 16.564 1.575 1.00 0.00 C ATOM 384 NZ LYS A 25 -22.546 17.248 2.765 1.00 0.00 N ATOM 0 H LYS A 25 -23.292 16.486 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.442 17.997 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.723 18.084 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.162 19.012 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.972 15.987 -1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.882 17.052 -0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.374 17.729 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.514 15.999 0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.911 15.492 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.951 16.916 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.953 17.055 3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.579 18.273 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.509 16.894 2.937 1.00 0.00 H new ATOM 398 N ILE A 26 -24.249 19.102 -4.345 1.00 0.00 N ATOM 399 CA ILE A 26 -24.584 20.210 -5.230 1.00 0.00 C ATOM 400 C ILE A 26 -26.094 20.365 -5.369 1.00 0.00 C ATOM 401 O ILE A 26 -26.594 21.459 -5.633 1.00 0.00 O ATOM 402 CB ILE A 26 -23.968 20.020 -6.629 1.00 0.00 C ATOM 403 CG1 ILE A 26 -23.877 21.362 -7.357 1.00 0.00 C ATOM 404 CG2 ILE A 26 -24.788 19.026 -7.438 1.00 0.00 C ATOM 405 CD1 ILE A 26 -22.911 22.334 -6.715 1.00 0.00 C ATOM 0 H ILE A 26 -24.082 18.216 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 26 -24.168 21.111 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 26 -22.960 19.622 -6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.571 21.187 -8.388 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.868 21.816 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.340 18.902 -8.424 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -24.805 18.065 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -25.807 19.398 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -22.898 23.263 -7.284 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -23.227 22.539 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.911 21.900 -6.705 1.00 0.00 H new ATOM 417 N ILE A 27 -26.816 19.264 -5.188 1.00 0.00 N ATOM 418 CA ILE A 27 -28.270 19.279 -5.290 1.00 0.00 C ATOM 419 C ILE A 27 -28.905 19.836 -4.021 1.00 0.00 C ATOM 420 O ILE A 27 -29.960 20.468 -4.068 1.00 0.00 O ATOM 421 CB ILE A 27 -28.830 17.868 -5.555 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.330 16.890 -4.489 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.435 17.393 -6.945 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.432 16.336 -3.614 1.00 0.00 C ATOM 0 H ILE A 27 -26.418 18.351 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.521 19.925 -6.132 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.918 17.909 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.815 16.063 -4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.596 17.394 -3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.838 16.395 -7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.835 18.079 -7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.348 17.364 -7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -29.005 15.651 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.932 17.155 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.154 15.803 -4.232 1.00 0.00 H new ATOM 436 N SER A 28 -28.253 19.599 -2.887 1.00 0.00 N ATOM 437 CA SER A 28 -28.755 20.075 -1.603 1.00 0.00 C ATOM 438 C SER A 28 -28.314 21.513 -1.348 1.00 0.00 C ATOM 439 O SER A 28 -29.130 22.375 -1.024 1.00 0.00 O ATOM 440 CB SER A 28 -28.263 19.170 -0.472 1.00 0.00 C ATOM 441 OG SER A 28 -29.245 18.210 -0.124 1.00 0.00 O ATOM 0 H SER A 28 -27.376 19.080 -2.831 1.00 0.00 H new ATOM 0 HA SER A 28 -29.844 20.047 -1.633 1.00 0.00 H new ATOM 0 HB2 SER A 28 -27.348 18.664 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 28 -28.016 19.775 0.401 1.00 0.00 H new ATOM 0 HG SER A 28 -28.906 17.643 0.600 1.00 0.00 H new ATOM 447 N GLU A 29 -27.017 21.763 -1.497 1.00 0.00 N ATOM 448 CA GLU A 29 -26.466 23.096 -1.281 1.00 0.00 C ATOM 449 C GLU A 29 -27.108 24.108 -2.226 1.00 0.00 C ATOM 450 O GLU A 29 -27.098 25.311 -1.964 1.00 0.00 O ATOM 451 CB GLU A 29 -24.950 23.085 -1.481 1.00 0.00 C ATOM 452 CG GLU A 29 -24.197 22.347 -0.387 1.00 0.00 C ATOM 453 CD GLU A 29 -23.681 23.277 0.695 1.00 0.00 C ATOM 454 OE1 GLU A 29 -22.826 24.132 0.385 1.00 0.00 O ATOM 455 OE2 GLU A 29 -24.134 23.149 1.852 1.00 0.00 O ATOM 0 H GLU A 29 -26.328 21.060 -1.766 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.686 23.391 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.722 22.624 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.591 24.113 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.854 21.602 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -23.358 21.808 -0.828 1.00 0.00 H new ATOM 462 N ALA A 30 -27.663 23.612 -3.327 1.00 0.00 N ATOM 463 CA ALA A 30 -28.310 24.472 -4.310 1.00 0.00 C ATOM 464 C ALA A 30 -29.754 24.765 -3.918 1.00 0.00 C ATOM 465 O ALA A 30 -30.099 25.898 -3.586 1.00 0.00 O ATOM 466 CB ALA A 30 -28.255 23.831 -5.689 1.00 0.00 C ATOM 0 H ALA A 30 -27.677 22.619 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.770 25.419 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.742 24.484 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.215 23.679 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.769 22.870 -5.664 1.00 0.00 H new ATOM 472 N GLU A 31 -30.594 23.735 -3.960 1.00 0.00 N ATOM 473 CA GLU A 31 -32.002 23.884 -3.610 1.00 0.00 C ATOM 474 C GLU A 31 -32.157 24.580 -2.261 1.00 0.00 C ATOM 475 O GLU A 31 -33.134 25.290 -2.025 1.00 0.00 O ATOM 476 CB GLU A 31 -32.689 22.517 -3.573 1.00 0.00 C ATOM 477 CG GLU A 31 -32.336 21.692 -2.347 1.00 0.00 C ATOM 478 CD GLU A 31 -33.265 21.956 -1.179 1.00 0.00 C ATOM 479 OE1 GLU A 31 -34.476 22.150 -1.417 1.00 0.00 O ATOM 480 OE2 GLU A 31 -32.783 21.970 -0.027 1.00 0.00 O ATOM 0 H GLU A 31 -30.324 22.790 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.476 24.500 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.769 22.661 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -32.416 21.958 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -32.373 20.633 -2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -31.311 21.912 -2.048 1.00 0.00 H new ATOM 487 N ALA A 32 -31.185 24.371 -1.379 1.00 0.00 N ATOM 488 CA ALA A 32 -31.211 24.979 -0.055 1.00 0.00 C ATOM 489 C ALA A 32 -31.003 26.487 -0.138 1.00 0.00 C ATOM 490 O ALA A 32 -31.928 27.264 0.092 1.00 0.00 O ATOM 491 CB ALA A 32 -30.154 24.346 0.838 1.00 0.00 C ATOM 0 H ALA A 32 -30.370 23.785 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 32 -32.194 24.799 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -30.185 24.810 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -30.350 23.278 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -29.168 24.496 0.397 1.00 0.00 H new ATOM 497 N GLU A 33 -29.781 26.893 -0.469 1.00 0.00 N ATOM 498 CA GLU A 33 -29.452 28.309 -0.581 1.00 0.00 C ATOM 499 C GLU A 33 -30.424 29.021 -1.517 1.00 0.00 C ATOM 500 O GLU A 33 -30.746 30.194 -1.322 1.00 0.00 O ATOM 501 CB GLU A 33 -28.019 28.484 -1.089 1.00 0.00 C ATOM 502 CG GLU A 33 -26.992 28.622 0.023 1.00 0.00 C ATOM 503 CD GLU A 33 -26.225 29.928 -0.050 1.00 0.00 C ATOM 504 OE1 GLU A 33 -26.872 30.996 -0.069 1.00 0.00 O ATOM 505 OE2 GLU A 33 -24.978 29.882 -0.089 1.00 0.00 O ATOM 0 H GLU A 33 -29.004 26.262 -0.664 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.536 28.754 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.756 27.629 -1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.973 29.367 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.495 28.554 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.290 27.789 -0.030 1.00 0.00 H new ATOM 512 N LYS A 34 -30.889 28.305 -2.535 1.00 0.00 N ATOM 513 CA LYS A 34 -31.825 28.865 -3.502 1.00 0.00 C ATOM 514 C LYS A 34 -33.139 29.249 -2.828 1.00 0.00 C ATOM 515 O LYS A 34 -33.481 30.428 -2.740 1.00 0.00 O ATOM 516 CB LYS A 34 -32.090 27.862 -4.627 1.00 0.00 C ATOM 517 CG LYS A 34 -33.251 28.250 -5.526 1.00 0.00 C ATOM 518 CD LYS A 34 -33.538 27.175 -6.561 1.00 0.00 C ATOM 519 CE LYS A 34 -35.019 27.109 -6.900 1.00 0.00 C ATOM 520 NZ LYS A 34 -35.278 26.251 -8.089 1.00 0.00 N ATOM 0 H LYS A 34 -30.632 27.334 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.377 29.765 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -31.190 27.762 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -32.290 26.884 -4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -34.141 28.420 -4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -33.024 29.190 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -32.965 27.378 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -33.207 26.208 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -35.570 26.720 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -35.393 28.115 -7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -36.299 26.232 -8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -34.772 26.636 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -34.944 25.285 -7.899 1.00 0.00 H new ATOM 534 N ALA A 35 -33.870 28.246 -2.353 1.00 0.00 N ATOM 535 CA ALA A 35 -35.143 28.479 -1.684 1.00 0.00 C ATOM 536 C ALA A 35 -34.970 29.394 -0.476 1.00 0.00 C ATOM 537 O ALA A 35 -35.935 29.978 0.018 1.00 0.00 O ATOM 538 CB ALA A 35 -35.768 27.157 -1.262 1.00 0.00 C ATOM 0 H ALA A 35 -33.602 27.264 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.810 28.975 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.719 27.347 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.937 26.537 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -35.096 26.639 -0.577 1.00 0.00 H new ATOM 544 N LYS A 36 -33.734 29.513 -0.003 1.00 0.00 N ATOM 545 CA LYS A 36 -33.433 30.357 1.147 1.00 0.00 C ATOM 546 C LYS A 36 -33.301 31.818 0.731 1.00 0.00 C ATOM 547 O LYS A 36 -33.935 32.699 1.312 1.00 0.00 O ATOM 548 CB LYS A 36 -32.142 29.890 1.824 1.00 0.00 C ATOM 549 CG LYS A 36 -32.376 29.068 3.080 1.00 0.00 C ATOM 550 CD LYS A 36 -31.227 29.211 4.063 1.00 0.00 C ATOM 551 CE LYS A 36 -30.028 28.374 3.644 1.00 0.00 C ATOM 552 NZ LYS A 36 -30.080 27.003 4.222 1.00 0.00 N ATOM 0 H LYS A 36 -32.924 29.035 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 36 -34.259 30.272 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.564 29.298 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -31.539 30.762 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -33.304 29.385 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -32.498 28.019 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.934 30.259 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -31.556 28.906 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.993 28.309 2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -29.111 28.868 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -29.246 26.464 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -30.088 27.064 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -30.943 26.522 3.897 1.00 0.00 H new ATOM 566 N ILE A 37 -32.475 32.068 -0.280 1.00 0.00 N ATOM 567 CA ILE A 37 -32.263 33.423 -0.775 1.00 0.00 C ATOM 568 C ILE A 37 -33.467 33.911 -1.573 1.00 0.00 C ATOM 569 O ILE A 37 -33.751 35.108 -1.620 1.00 0.00 O ATOM 570 CB ILE A 37 -31.005 33.508 -1.660 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.241 32.790 -2.990 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.807 32.913 -0.935 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.028 32.777 -3.893 1.00 0.00 C ATOM 0 H ILE A 37 -31.942 31.351 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 37 -32.127 34.061 0.098 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.795 34.557 -1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -31.546 31.763 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -32.068 33.272 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.926 32.980 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.630 33.465 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -30.006 31.867 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.268 32.252 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -29.735 33.801 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.205 32.269 -3.390 1.00 0.00 H new ATOM 585 N LEU A 38 -34.172 32.976 -2.200 1.00 0.00 N ATOM 586 CA LEU A 38 -35.348 33.310 -2.996 1.00 0.00 C ATOM 587 C LEU A 38 -36.448 33.901 -2.121 1.00 0.00 C ATOM 588 O LEU A 38 -37.138 34.838 -2.523 1.00 0.00 O ATOM 589 CB LEU A 38 -35.869 32.066 -3.719 1.00 0.00 C ATOM 590 CG LEU A 38 -35.419 31.896 -5.170 1.00 0.00 C ATOM 591 CD1 LEU A 38 -35.854 33.089 -6.008 1.00 0.00 C ATOM 592 CD2 LEU A 38 -33.910 31.713 -5.243 1.00 0.00 C ATOM 0 H LEU A 38 -33.950 31.981 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.056 34.057 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.556 31.186 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.959 32.087 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.893 31.002 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.525 32.950 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -36.940 33.175 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.409 33.999 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.608 31.593 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.416 32.588 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.623 30.826 -4.678 1.00 0.00 H new ATOM 604 N GLU A 39 -36.605 33.348 -0.922 1.00 0.00 N ATOM 605 CA GLU A 39 -37.621 33.823 0.010 1.00 0.00 C ATOM 606 C GLU A 39 -37.068 34.933 0.900 1.00 0.00 C ATOM 607 O GLU A 39 -37.794 35.841 1.303 1.00 0.00 O ATOM 608 CB GLU A 39 -38.131 32.668 0.875 1.00 0.00 C ATOM 609 CG GLU A 39 -39.002 31.679 0.118 1.00 0.00 C ATOM 610 CD GLU A 39 -40.480 31.997 0.234 1.00 0.00 C ATOM 611 OE1 GLU A 39 -40.837 33.191 0.161 1.00 0.00 O ATOM 612 OE2 GLU A 39 -41.279 31.052 0.398 1.00 0.00 O ATOM 0 H GLU A 39 -36.042 32.572 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.450 34.226 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -37.278 32.138 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -38.700 33.075 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -38.715 31.679 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -38.819 30.674 0.498 1.00 0.00 H new ATOM 619 N LYS A 40 -35.776 34.852 1.201 1.00 0.00 N ATOM 620 CA LYS A 40 -35.123 35.849 2.042 1.00 0.00 C ATOM 621 C LYS A 40 -34.956 37.167 1.293 1.00 0.00 C ATOM 622 O LYS A 40 -35.253 38.236 1.825 1.00 0.00 O ATOM 623 CB LYS A 40 -33.758 35.337 2.507 1.00 0.00 C ATOM 624 CG LYS A 40 -33.837 34.359 3.666 1.00 0.00 C ATOM 625 CD LYS A 40 -32.549 33.568 3.818 1.00 0.00 C ATOM 626 CE LYS A 40 -31.519 34.332 4.637 1.00 0.00 C ATOM 627 NZ LYS A 40 -30.239 34.506 3.895 1.00 0.00 N ATOM 0 H LYS A 40 -35.161 34.107 0.875 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.755 36.024 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.256 34.854 1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -33.142 36.187 2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -34.042 34.903 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -34.669 33.673 3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -32.762 32.613 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -32.139 33.345 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -31.920 35.310 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -31.329 33.800 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -29.564 35.031 4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -29.843 33.573 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -30.416 35.036 3.018 1.00 0.00 H new ATOM 641 N ALA A 41 -34.479 37.083 0.055 1.00 0.00 N ATOM 642 CA ALA A 41 -34.276 38.269 -0.767 1.00 0.00 C ATOM 643 C ALA A 41 -35.608 38.902 -1.155 1.00 0.00 C ATOM 644 O ALA A 41 -35.837 40.088 -0.914 1.00 0.00 O ATOM 645 CB ALA A 41 -33.475 37.917 -2.012 1.00 0.00 C ATOM 0 H ALA A 41 -34.226 36.206 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.715 38.996 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.331 38.812 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.504 37.517 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.015 37.170 -2.593 1.00 0.00 H new ATOM 651 N LYS A 42 -36.484 38.105 -1.758 1.00 0.00 N ATOM 652 CA LYS A 42 -37.794 38.587 -2.179 1.00 0.00 C ATOM 653 C LYS A 42 -38.541 39.224 -1.011 1.00 0.00 C ATOM 654 O LYS A 42 -39.366 40.117 -1.204 1.00 0.00 O ATOM 655 CB LYS A 42 -38.620 37.438 -2.761 1.00 0.00 C ATOM 656 CG LYS A 42 -38.167 37.002 -4.143 1.00 0.00 C ATOM 657 CD LYS A 42 -38.741 37.898 -5.227 1.00 0.00 C ATOM 658 CE LYS A 42 -38.249 37.490 -6.607 1.00 0.00 C ATOM 659 NZ LYS A 42 -39.374 37.124 -7.511 1.00 0.00 N ATOM 0 H LYS A 42 -36.310 37.122 -1.966 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.645 39.345 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.567 36.585 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -39.666 37.742 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -37.078 37.021 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -38.476 35.972 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -39.830 37.852 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -38.461 38.933 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -37.681 38.310 -7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -37.568 36.644 -6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -38.997 36.852 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -39.901 36.325 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -40.011 37.939 -7.620 1.00 0.00 H new ATOM 673 N GLU A 43 -38.244 38.760 0.199 1.00 0.00 N ATOM 674 CA GLU A 43 -38.888 39.286 1.397 1.00 0.00 C ATOM 675 C GLU A 43 -38.165 40.532 1.900 1.00 0.00 C ATOM 676 O GLU A 43 -38.736 41.622 1.933 1.00 0.00 O ATOM 677 CB GLU A 43 -38.918 38.222 2.495 1.00 0.00 C ATOM 678 CG GLU A 43 -39.596 38.686 3.774 1.00 0.00 C ATOM 679 CD GLU A 43 -39.694 37.587 4.814 1.00 0.00 C ATOM 680 OE1 GLU A 43 -39.042 36.537 4.633 1.00 0.00 O ATOM 681 OE2 GLU A 43 -40.422 37.777 5.810 1.00 0.00 O ATOM 0 H GLU A 43 -37.562 38.022 0.375 1.00 0.00 H new ATOM 0 HA GLU A 43 -39.911 39.560 1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.435 37.339 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.896 37.920 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -39.041 39.527 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.597 39.049 3.539 1.00 0.00 H new ATOM 688 N GLU A 44 -36.906 40.361 2.292 1.00 0.00 N ATOM 689 CA GLU A 44 -36.106 41.472 2.795 1.00 0.00 C ATOM 690 C GLU A 44 -36.146 42.653 1.829 1.00 0.00 C ATOM 691 O GLU A 44 -36.159 43.810 2.248 1.00 0.00 O ATOM 692 CB GLU A 44 -34.659 41.028 3.016 1.00 0.00 C ATOM 693 CG GLU A 44 -33.894 40.783 1.726 1.00 0.00 C ATOM 694 CD GLU A 44 -32.701 39.867 1.920 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.715 39.072 2.883 1.00 0.00 O ATOM 696 OE2 GLU A 44 -31.755 39.945 1.109 1.00 0.00 O ATOM 0 H GLU A 44 -36.419 39.465 2.271 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.530 41.790 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.139 41.789 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.655 40.114 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.566 40.347 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -33.553 41.737 1.323 1.00 0.00 H new ATOM 703 N ALA A 45 -36.165 42.351 0.535 1.00 0.00 N ATOM 704 CA ALA A 45 -36.205 43.386 -0.490 1.00 0.00 C ATOM 705 C ALA A 45 -37.584 44.030 -0.566 1.00 0.00 C ATOM 706 O ALA A 45 -37.704 45.245 -0.724 1.00 0.00 O ATOM 707 CB ALA A 45 -35.816 42.805 -1.842 1.00 0.00 C ATOM 0 H ALA A 45 -36.153 41.398 0.172 1.00 0.00 H new ATOM 0 HA ALA A 45 -35.486 44.159 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -35.850 43.589 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -34.806 42.398 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.513 42.011 -2.111 1.00 0.00 H new ATOM 713 N GLU A 46 -38.623 43.209 -0.454 1.00 0.00 N ATOM 714 CA GLU A 46 -39.995 43.700 -0.512 1.00 0.00 C ATOM 715 C GLU A 46 -40.292 44.626 0.664 1.00 0.00 C ATOM 716 O GLU A 46 -40.955 45.651 0.511 1.00 0.00 O ATOM 717 CB GLU A 46 -40.980 42.530 -0.516 1.00 0.00 C ATOM 718 CG GLU A 46 -41.381 42.076 -1.909 1.00 0.00 C ATOM 719 CD GLU A 46 -42.329 40.893 -1.887 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.503 41.079 -1.504 1.00 0.00 O ATOM 721 OE2 GLU A 46 -41.897 39.780 -2.254 1.00 0.00 O ATOM 0 H GLU A 46 -38.541 42.201 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.112 44.266 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -40.535 41.690 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -41.875 42.818 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -41.853 42.905 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -40.486 41.809 -2.472 1.00 0.00 H new ATOM 728 N LYS A 47 -39.795 44.255 1.840 1.00 0.00 N ATOM 729 CA LYS A 47 -40.005 45.050 3.044 1.00 0.00 C ATOM 730 C LYS A 47 -39.051 46.240 3.084 1.00 0.00 C ATOM 731 O LYS A 47 -39.482 47.393 3.101 1.00 0.00 O ATOM 732 CB LYS A 47 -39.811 44.185 4.291 1.00 0.00 C ATOM 733 CG LYS A 47 -40.847 43.084 4.435 1.00 0.00 C ATOM 734 CD LYS A 47 -42.247 43.653 4.591 1.00 0.00 C ATOM 735 CE LYS A 47 -42.360 44.524 5.833 1.00 0.00 C ATOM 736 NZ LYS A 47 -41.985 43.781 7.068 1.00 0.00 N ATOM 0 H LYS A 47 -39.244 43.409 1.984 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.027 45.427 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -38.818 43.736 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -39.846 44.823 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -40.813 42.434 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.606 42.467 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -42.502 44.240 3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -42.968 42.837 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -41.716 45.396 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -43.382 44.892 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -42.250 44.341 7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -42.484 42.869 7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -40.959 43.614 7.074 1.00 0.00 H new