USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=3 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -23:sc= 0.58 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= -0.154 K(o=-0.15,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+ -174:sc= 0 (180deg=-0.0625) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -11.883 -2.310 -5.029 1.00 0.00 N ATOM 126 CA ASP A 9 -13.081 -1.847 -4.339 1.00 0.00 C ATOM 127 C ASP A 9 -12.938 -0.386 -3.922 1.00 0.00 C ATOM 128 O ASP A 9 -13.927 0.339 -3.813 1.00 0.00 O ATOM 129 CB ASP A 9 -13.357 -2.716 -3.110 1.00 0.00 C ATOM 130 CG ASP A 9 -14.213 -3.923 -3.436 1.00 0.00 C ATOM 131 OD1 ASP A 9 -14.233 -4.338 -4.614 1.00 0.00 O ATOM 132 OD2 ASP A 9 -14.864 -4.455 -2.512 1.00 0.00 O ATOM 0 HA ASP A 9 -13.921 -1.929 -5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.411 -3.050 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.855 -2.116 -2.349 1.00 0.00 H new ATOM 137 N LYS A 10 -11.701 0.039 -3.691 1.00 0.00 N ATOM 138 CA LYS A 10 -11.426 1.413 -3.286 1.00 0.00 C ATOM 139 C LYS A 10 -11.519 2.359 -4.479 1.00 0.00 C ATOM 140 O LYS A 10 -12.212 3.376 -4.423 1.00 0.00 O ATOM 141 CB LYS A 10 -10.038 1.511 -2.650 1.00 0.00 C ATOM 142 CG LYS A 10 -9.852 0.598 -1.451 1.00 0.00 C ATOM 143 CD LYS A 10 -10.512 1.169 -0.207 1.00 0.00 C ATOM 144 CE LYS A 10 -11.427 0.150 0.456 1.00 0.00 C ATOM 145 NZ LYS A 10 -12.856 0.378 0.106 1.00 0.00 N ATOM 0 H LYS A 10 -10.872 -0.549 -3.777 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.176 1.707 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.286 1.269 -3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.861 2.541 -2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.274 -0.383 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.788 0.452 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.745 1.486 0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.086 2.056 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.134 -0.854 0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.305 0.202 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.447 -0.336 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.143 1.327 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.977 0.303 -0.924 1.00 0.00 H new ATOM 159 N ILE A 11 -10.819 2.018 -5.555 1.00 0.00 N ATOM 160 CA ILE A 11 -10.826 2.837 -6.761 1.00 0.00 C ATOM 161 C ILE A 11 -12.203 2.841 -7.415 1.00 0.00 C ATOM 162 O ILE A 11 -12.653 3.863 -7.934 1.00 0.00 O ATOM 163 CB ILE A 11 -9.786 2.342 -7.783 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.029 0.869 -8.119 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.377 2.542 -7.245 1.00 0.00 C ATOM 166 CD1 ILE A 11 -10.965 0.663 -9.289 1.00 0.00 C ATOM 0 H ILE A 11 -10.240 1.181 -5.617 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.569 3.851 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.891 2.926 -8.697 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.074 0.393 -8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.440 0.368 -7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.653 2.187 -7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.208 3.601 -7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.258 1.981 -6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.091 -0.404 -9.470 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.933 1.110 -9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.546 1.135 -10.178 1.00 0.00 H new ATOM 178 N LYS A 12 -12.869 1.692 -7.386 1.00 0.00 N ATOM 179 CA LYS A 12 -14.198 1.562 -7.973 1.00 0.00 C ATOM 180 C LYS A 12 -15.236 2.308 -7.140 1.00 0.00 C ATOM 181 O LYS A 12 -16.262 2.747 -7.659 1.00 0.00 O ATOM 182 CB LYS A 12 -14.585 0.086 -8.087 1.00 0.00 C ATOM 183 CG LYS A 12 -16.033 -0.134 -8.489 1.00 0.00 C ATOM 184 CD LYS A 12 -16.895 -0.498 -7.292 1.00 0.00 C ATOM 185 CE LYS A 12 -18.064 0.463 -7.134 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.208 -0.168 -6.419 1.00 0.00 N ATOM 0 H LYS A 12 -12.510 0.836 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.173 2.003 -8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.936 -0.395 -8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.404 -0.403 -7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.423 0.770 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.088 -0.928 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.271 -1.514 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.287 -0.485 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.736 1.347 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.392 0.801 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.984 0.519 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.538 -0.997 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.902 -0.468 -5.471 1.00 0.00 H new ATOM 200 N SER A 13 -14.960 2.449 -5.848 1.00 0.00 N ATOM 201 CA SER A 13 -15.872 3.140 -4.943 1.00 0.00 C ATOM 202 C SER A 13 -15.531 4.625 -4.859 1.00 0.00 C ATOM 203 O SER A 13 -16.387 5.454 -4.548 1.00 0.00 O ATOM 204 CB SER A 13 -15.814 2.513 -3.549 1.00 0.00 C ATOM 205 OG SER A 13 -14.565 2.765 -2.928 1.00 0.00 O ATOM 0 H SER A 13 -14.113 2.094 -5.404 1.00 0.00 H new ATOM 0 HA SER A 13 -16.883 3.038 -5.338 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.618 2.915 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.976 1.438 -3.623 1.00 0.00 H new ATOM 0 HG SER A 13 -13.891 2.952 -3.614 1.00 0.00 H new ATOM 211 N LYS A 14 -14.275 4.955 -5.140 1.00 0.00 N ATOM 212 CA LYS A 14 -13.819 6.339 -5.098 1.00 0.00 C ATOM 213 C LYS A 14 -14.573 7.191 -6.114 1.00 0.00 C ATOM 214 O LYS A 14 -15.363 8.060 -5.745 1.00 0.00 O ATOM 215 CB LYS A 14 -12.315 6.410 -5.372 1.00 0.00 C ATOM 216 CG LYS A 14 -11.624 7.568 -4.673 1.00 0.00 C ATOM 217 CD LYS A 14 -12.302 8.892 -4.983 1.00 0.00 C ATOM 218 CE LYS A 14 -12.251 9.210 -6.469 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.435 10.424 -6.749 1.00 0.00 N ATOM 0 H LYS A 14 -13.554 4.282 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.019 6.732 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.852 5.476 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.154 6.496 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.629 7.399 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.580 7.611 -4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.340 8.856 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.817 9.691 -4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.834 8.360 -7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.264 9.359 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.425 10.607 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.848 11.241 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.462 10.273 -6.415 1.00 0.00 H new ATOM 233 N ILE A 15 -14.324 6.936 -7.394 1.00 0.00 N ATOM 234 CA ILE A 15 -14.981 7.678 -8.463 1.00 0.00 C ATOM 235 C ILE A 15 -16.498 7.559 -8.362 1.00 0.00 C ATOM 236 O ILE A 15 -17.224 8.529 -8.581 1.00 0.00 O ATOM 237 CB ILE A 15 -14.529 7.186 -9.850 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.003 7.100 -9.913 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.058 8.109 -10.938 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.484 5.693 -10.112 1.00 0.00 C ATOM 0 H ILE A 15 -13.672 6.221 -7.716 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.692 8.723 -8.346 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.937 6.189 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.645 7.729 -10.728 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.586 7.505 -8.991 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.730 7.748 -11.913 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.147 8.124 -10.904 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.676 9.117 -10.777 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.395 5.709 -10.147 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.811 5.064 -9.284 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.871 5.291 -11.048 1.00 0.00 H new ATOM 252 N LEU A 16 -16.971 6.363 -8.029 1.00 0.00 N ATOM 253 CA LEU A 16 -18.402 6.116 -7.897 1.00 0.00 C ATOM 254 C LEU A 16 -19.005 6.980 -6.793 1.00 0.00 C ATOM 255 O LEU A 16 -19.902 7.785 -7.042 1.00 0.00 O ATOM 256 CB LEU A 16 -18.660 4.637 -7.601 1.00 0.00 C ATOM 257 CG LEU A 16 -18.848 3.732 -8.818 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.207 3.974 -9.458 1.00 0.00 C ATOM 259 CD2 LEU A 16 -17.733 3.958 -9.829 1.00 0.00 C ATOM 0 H LEU A 16 -16.384 5.549 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 16 -18.879 6.380 -8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.826 4.254 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.550 4.562 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.805 2.695 -8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.323 3.321 -10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -20.993 3.761 -8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.279 5.014 -9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.884 3.305 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.744 4.998 -10.157 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -16.772 3.733 -9.367 1.00 0.00 H new ATOM 271 N ASP A 17 -18.503 6.808 -5.575 1.00 0.00 N ATOM 272 CA ASP A 17 -18.989 7.574 -4.433 1.00 0.00 C ATOM 273 C ASP A 17 -18.746 9.066 -4.637 1.00 0.00 C ATOM 274 O ASP A 17 -19.569 9.897 -4.253 1.00 0.00 O ATOM 275 CB ASP A 17 -18.306 7.104 -3.148 1.00 0.00 C ATOM 276 CG ASP A 17 -18.664 5.675 -2.792 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.813 5.266 -3.060 1.00 0.00 O ATOM 278 OD2 ASP A 17 -17.795 4.965 -2.244 1.00 0.00 O ATOM 0 H ASP A 17 -17.760 6.145 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.063 7.408 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.225 7.187 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.591 7.762 -2.327 1.00 0.00 H new ATOM 283 N ASP A 18 -17.611 9.398 -5.242 1.00 0.00 N ATOM 284 CA ASP A 18 -17.259 10.790 -5.497 1.00 0.00 C ATOM 285 C ASP A 18 -18.240 11.428 -6.476 1.00 0.00 C ATOM 286 O ASP A 18 -18.848 12.456 -6.180 1.00 0.00 O ATOM 287 CB ASP A 18 -15.835 10.886 -6.047 1.00 0.00 C ATOM 288 CG ASP A 18 -15.385 12.321 -6.242 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.820 12.950 -7.230 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.599 12.814 -5.408 1.00 0.00 O ATOM 0 H ASP A 18 -16.919 8.722 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.312 11.331 -4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.150 10.383 -5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.780 10.358 -6.999 1.00 0.00 H new ATOM 295 N ALA A 19 -18.387 10.812 -7.645 1.00 0.00 N ATOM 296 CA ALA A 19 -19.294 11.319 -8.667 1.00 0.00 C ATOM 297 C ALA A 19 -20.687 11.556 -8.095 1.00 0.00 C ATOM 298 O ALA A 19 -21.199 12.676 -8.123 1.00 0.00 O ATOM 299 CB ALA A 19 -19.360 10.352 -9.840 1.00 0.00 C ATOM 0 H ALA A 19 -17.889 9.961 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.907 12.275 -9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.041 10.743 -10.596 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.366 10.236 -10.272 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.720 9.383 -9.493 1.00 0.00 H new ATOM 305 N LYS A 20 -21.298 10.496 -7.578 1.00 0.00 N ATOM 306 CA LYS A 20 -22.633 10.588 -6.999 1.00 0.00 C ATOM 307 C LYS A 20 -22.680 11.651 -5.906 1.00 0.00 C ATOM 308 O LYS A 20 -23.686 12.340 -5.740 1.00 0.00 O ATOM 309 CB LYS A 20 -23.058 9.234 -6.427 1.00 0.00 C ATOM 310 CG LYS A 20 -22.251 8.806 -5.214 1.00 0.00 C ATOM 311 CD LYS A 20 -22.614 7.399 -4.771 1.00 0.00 C ATOM 312 CE LYS A 20 -24.075 7.304 -4.358 1.00 0.00 C ATOM 313 NZ LYS A 20 -24.224 6.874 -2.940 1.00 0.00 N ATOM 0 H LYS A 20 -20.889 9.562 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.326 10.875 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -24.112 9.279 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -22.962 8.475 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -21.188 8.851 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.427 9.503 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -22.418 6.699 -5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.979 7.104 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -24.555 8.273 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -24.591 6.597 -5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -25.234 6.821 -2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -23.788 5.938 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -23.754 7.562 -2.317 1.00 0.00 H new ATOM 327 N ALA A 21 -21.585 11.779 -5.165 1.00 0.00 N ATOM 328 CA ALA A 21 -21.500 12.761 -4.090 1.00 0.00 C ATOM 329 C ALA A 21 -21.530 14.182 -4.642 1.00 0.00 C ATOM 330 O ALA A 21 -22.192 15.059 -4.086 1.00 0.00 O ATOM 331 CB ALA A 21 -20.239 12.537 -3.269 1.00 0.00 C ATOM 0 H ALA A 21 -20.744 11.215 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.368 12.632 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.189 13.277 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.259 11.537 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.364 12.636 -3.911 1.00 0.00 H new ATOM 337 N GLU A 22 -20.809 14.403 -5.736 1.00 0.00 N ATOM 338 CA GLU A 22 -20.752 15.719 -6.361 1.00 0.00 C ATOM 339 C GLU A 22 -22.141 16.171 -6.803 1.00 0.00 C ATOM 340 O GLU A 22 -22.503 17.338 -6.652 1.00 0.00 O ATOM 341 CB GLU A 22 -19.804 15.699 -7.561 1.00 0.00 C ATOM 342 CG GLU A 22 -18.888 16.909 -7.634 1.00 0.00 C ATOM 343 CD GLU A 22 -17.444 16.532 -7.901 1.00 0.00 C ATOM 344 OE1 GLU A 22 -17.134 16.149 -9.049 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.624 16.621 -6.964 1.00 0.00 O ATOM 0 H GLU A 22 -20.256 13.688 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.375 16.427 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.196 14.796 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.392 15.643 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.237 17.577 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.948 17.462 -6.697 1.00 0.00 H new ATOM 352 N ALA A 23 -22.913 15.239 -7.351 1.00 0.00 N ATOM 353 CA ALA A 23 -24.262 15.541 -7.815 1.00 0.00 C ATOM 354 C ALA A 23 -25.250 15.562 -6.653 1.00 0.00 C ATOM 355 O ALA A 23 -26.322 16.158 -6.749 1.00 0.00 O ATOM 356 CB ALA A 23 -24.699 14.527 -8.863 1.00 0.00 C ATOM 0 H ALA A 23 -22.628 14.269 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.251 16.533 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.708 14.764 -9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -24.015 14.562 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.688 13.527 -8.429 1.00 0.00 H new ATOM 362 N ASN A 24 -24.881 14.908 -5.557 1.00 0.00 N ATOM 363 CA ASN A 24 -25.736 14.851 -4.377 1.00 0.00 C ATOM 364 C ASN A 24 -25.544 16.089 -3.506 1.00 0.00 C ATOM 365 O ASN A 24 -26.445 16.490 -2.769 1.00 0.00 O ATOM 366 CB ASN A 24 -25.436 13.590 -3.564 1.00 0.00 C ATOM 367 CG ASN A 24 -26.319 12.423 -3.960 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.511 12.591 -4.216 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.736 11.231 -4.011 1.00 0.00 N ATOM 0 H ASN A 24 -23.996 14.410 -5.461 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.773 14.821 -4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.390 13.313 -3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.574 13.803 -2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.280 10.408 -4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.744 11.138 -3.791 1.00 0.00 H new ATOM 376 N LYS A 25 -24.363 16.691 -3.596 1.00 0.00 N ATOM 377 CA LYS A 25 -24.051 17.885 -2.819 1.00 0.00 C ATOM 378 C LYS A 25 -24.425 19.148 -3.587 1.00 0.00 C ATOM 379 O LYS A 25 -24.590 20.218 -3.000 1.00 0.00 O ATOM 380 CB LYS A 25 -22.562 17.913 -2.464 1.00 0.00 C ATOM 381 CG LYS A 25 -22.294 18.065 -0.977 1.00 0.00 C ATOM 382 CD LYS A 25 -22.848 16.891 -0.188 1.00 0.00 C ATOM 383 CE LYS A 25 -21.888 16.451 0.906 1.00 0.00 C ATOM 384 NZ LYS A 25 -21.212 15.168 0.568 1.00 0.00 N ATOM 0 H LYS A 25 -23.606 16.371 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.637 17.853 -1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -22.096 16.993 -2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.086 18.736 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.220 18.145 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.744 18.991 -0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.804 17.168 0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.040 16.056 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.138 17.226 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.433 16.338 1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.566 14.902 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.926 14.422 0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.671 15.282 -0.313 1.00 0.00 H new ATOM 398 N ILE A 26 -24.560 19.017 -4.903 1.00 0.00 N ATOM 399 CA ILE A 26 -24.918 20.147 -5.750 1.00 0.00 C ATOM 400 C ILE A 26 -26.431 20.321 -5.825 1.00 0.00 C ATOM 401 O ILE A 26 -26.928 21.426 -6.044 1.00 0.00 O ATOM 402 CB ILE A 26 -24.360 19.980 -7.176 1.00 0.00 C ATOM 403 CG1 ILE A 26 -24.282 21.337 -7.879 1.00 0.00 C ATOM 404 CG2 ILE A 26 -25.225 19.015 -7.973 1.00 0.00 C ATOM 405 CD1 ILE A 26 -23.278 22.283 -7.256 1.00 0.00 C ATOM 0 H ILE A 26 -24.427 18.139 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 26 -24.475 21.034 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.353 19.567 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -24.021 21.181 -8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -25.267 21.803 -7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.818 18.907 -8.978 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -25.235 18.043 -7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -26.242 19.402 -8.033 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -23.276 23.225 -7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -23.550 22.469 -6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -22.284 21.837 -7.297 1.00 0.00 H new ATOM 417 N ILE A 27 -27.157 19.224 -5.640 1.00 0.00 N ATOM 418 CA ILE A 27 -28.613 19.256 -5.683 1.00 0.00 C ATOM 419 C ILE A 27 -29.190 19.799 -4.380 1.00 0.00 C ATOM 420 O ILE A 27 -30.240 20.442 -4.374 1.00 0.00 O ATOM 421 CB ILE A 27 -29.200 17.857 -5.947 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.668 16.855 -4.920 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.867 17.401 -7.360 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.741 16.289 -4.016 1.00 0.00 C ATOM 0 H ILE A 27 -26.760 18.302 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.889 19.918 -6.504 1.00 0.00 H new ATOM 0 HB ILE A 27 -30.284 17.910 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -28.177 16.035 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.909 17.342 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -29.289 16.411 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -29.289 18.104 -8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.785 17.361 -7.484 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -29.292 15.586 -3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -30.217 17.100 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.489 15.772 -4.618 1.00 0.00 H new ATOM 436 N SER A 28 -28.496 19.537 -3.277 1.00 0.00 N ATOM 437 CA SER A 28 -28.940 19.997 -1.967 1.00 0.00 C ATOM 438 C SER A 28 -28.469 21.424 -1.704 1.00 0.00 C ATOM 439 O SER A 28 -29.261 22.293 -1.340 1.00 0.00 O ATOM 440 CB SER A 28 -28.418 19.066 -0.871 1.00 0.00 C ATOM 441 OG SER A 28 -28.731 19.567 0.417 1.00 0.00 O ATOM 0 H SER A 28 -27.624 19.008 -3.265 1.00 0.00 H new ATOM 0 HA SER A 28 -30.030 19.984 -1.956 1.00 0.00 H new ATOM 0 HB2 SER A 28 -28.853 18.074 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.338 18.954 -0.968 1.00 0.00 H new ATOM 0 HG SER A 28 -28.388 18.953 1.099 1.00 0.00 H new ATOM 447 N GLU A 29 -27.174 21.657 -1.892 1.00 0.00 N ATOM 448 CA GLU A 29 -26.596 22.978 -1.674 1.00 0.00 C ATOM 449 C GLU A 29 -27.261 24.017 -2.573 1.00 0.00 C ATOM 450 O GLU A 29 -27.222 25.214 -2.290 1.00 0.00 O ATOM 451 CB GLU A 29 -25.089 22.950 -1.936 1.00 0.00 C ATOM 452 CG GLU A 29 -24.303 22.182 -0.887 1.00 0.00 C ATOM 453 CD GLU A 29 -23.855 23.060 0.265 1.00 0.00 C ATOM 454 OE1 GLU A 29 -24.504 24.099 0.507 1.00 0.00 O ATOM 455 OE2 GLU A 29 -22.855 22.708 0.925 1.00 0.00 O ATOM 0 H GLU A 29 -26.505 20.949 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.771 23.256 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.907 22.503 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.717 23.974 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.918 21.369 -0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -23.429 21.728 -1.354 1.00 0.00 H new ATOM 462 N ALA A 30 -27.870 23.549 -3.658 1.00 0.00 N ATOM 463 CA ALA A 30 -28.544 24.436 -4.598 1.00 0.00 C ATOM 464 C ALA A 30 -29.964 24.746 -4.137 1.00 0.00 C ATOM 465 O ALA A 30 -30.272 25.878 -3.766 1.00 0.00 O ATOM 466 CB ALA A 30 -28.561 23.818 -5.988 1.00 0.00 C ATOM 0 H ALA A 30 -27.910 22.561 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.989 25.374 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -29.067 24.491 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.538 23.654 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -29.090 22.866 -5.956 1.00 0.00 H new ATOM 472 N GLU A 31 -30.825 23.734 -4.166 1.00 0.00 N ATOM 473 CA GLU A 31 -32.214 23.900 -3.753 1.00 0.00 C ATOM 474 C GLU A 31 -32.297 24.567 -2.382 1.00 0.00 C ATOM 475 O GLU A 31 -33.249 25.290 -2.089 1.00 0.00 O ATOM 476 CB GLU A 31 -32.924 22.546 -3.717 1.00 0.00 C ATOM 477 CG GLU A 31 -32.536 21.685 -2.527 1.00 0.00 C ATOM 478 CD GLU A 31 -33.040 20.260 -2.648 1.00 0.00 C ATOM 479 OE1 GLU A 31 -32.751 19.614 -3.676 1.00 0.00 O ATOM 480 OE2 GLU A 31 -33.723 19.792 -1.713 1.00 0.00 O ATOM 0 H GLU A 31 -30.586 22.791 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.709 24.542 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -34.001 22.711 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -32.700 22.003 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.450 21.675 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -32.934 22.131 -1.616 1.00 0.00 H new ATOM 487 N ALA A 32 -31.294 24.317 -1.547 1.00 0.00 N ATOM 488 CA ALA A 32 -31.253 24.893 -0.209 1.00 0.00 C ATOM 489 C ALA A 32 -31.025 26.400 -0.267 1.00 0.00 C ATOM 490 O ALA A 32 -31.927 27.184 0.028 1.00 0.00 O ATOM 491 CB ALA A 32 -30.166 24.225 0.620 1.00 0.00 C ATOM 0 H ALA A 32 -30.499 23.719 -1.774 1.00 0.00 H new ATOM 0 HA ALA A 32 -32.218 24.715 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -30.147 24.665 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -30.372 23.158 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -29.199 24.373 0.139 1.00 0.00 H new ATOM 497 N GLU A 33 -29.815 26.797 -0.648 1.00 0.00 N ATOM 498 CA GLU A 33 -29.471 28.211 -0.742 1.00 0.00 C ATOM 499 C GLU A 33 -30.472 28.958 -1.620 1.00 0.00 C ATOM 500 O GLU A 33 -30.768 30.129 -1.386 1.00 0.00 O ATOM 501 CB GLU A 33 -28.058 28.378 -1.306 1.00 0.00 C ATOM 502 CG GLU A 33 -27.024 28.747 -0.256 1.00 0.00 C ATOM 503 CD GLU A 33 -26.642 30.214 -0.303 1.00 0.00 C ATOM 504 OE1 GLU A 33 -26.035 30.637 -1.309 1.00 0.00 O ATOM 505 OE2 GLU A 33 -26.950 30.938 0.666 1.00 0.00 O ATOM 0 H GLU A 33 -29.058 26.161 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.507 28.635 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.757 27.449 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -28.072 29.149 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.415 28.509 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.131 28.138 -0.401 1.00 0.00 H new ATOM 512 N LYS A 34 -30.989 28.270 -2.633 1.00 0.00 N ATOM 513 CA LYS A 34 -31.957 28.865 -3.546 1.00 0.00 C ATOM 514 C LYS A 34 -33.233 29.257 -2.808 1.00 0.00 C ATOM 515 O LYS A 34 -33.554 30.439 -2.688 1.00 0.00 O ATOM 516 CB LYS A 34 -32.289 27.889 -4.677 1.00 0.00 C ATOM 517 CG LYS A 34 -33.481 28.314 -5.517 1.00 0.00 C ATOM 518 CD LYS A 34 -33.832 27.264 -6.558 1.00 0.00 C ATOM 519 CE LYS A 34 -32.941 27.377 -7.785 1.00 0.00 C ATOM 520 NZ LYS A 34 -33.681 27.063 -9.039 1.00 0.00 N ATOM 0 H LYS A 34 -30.753 27.300 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.513 29.766 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -31.418 27.786 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -32.488 26.906 -4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -34.340 28.487 -4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -33.260 29.259 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -33.729 26.270 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -34.875 27.377 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -32.534 28.386 -7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -32.095 26.698 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -33.039 27.151 -9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -34.048 26.091 -8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -34.474 27.727 -9.150 1.00 0.00 H new ATOM 534 N ALA A 35 -33.956 28.258 -2.313 1.00 0.00 N ATOM 535 CA ALA A 35 -35.194 28.499 -1.583 1.00 0.00 C ATOM 536 C ALA A 35 -34.951 29.385 -0.366 1.00 0.00 C ATOM 537 O ALA A 35 -35.883 29.973 0.183 1.00 0.00 O ATOM 538 CB ALA A 35 -35.822 27.179 -1.159 1.00 0.00 C ATOM 0 H ALA A 35 -33.705 27.274 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.883 29.020 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.746 27.374 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -36.041 26.580 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -35.129 26.637 -0.515 1.00 0.00 H new ATOM 544 N LYS A 36 -33.693 29.477 0.051 1.00 0.00 N ATOM 545 CA LYS A 36 -33.325 30.292 1.202 1.00 0.00 C ATOM 546 C LYS A 36 -33.182 31.759 0.807 1.00 0.00 C ATOM 547 O LYS A 36 -33.752 32.642 1.447 1.00 0.00 O ATOM 548 CB LYS A 36 -32.017 29.788 1.814 1.00 0.00 C ATOM 549 CG LYS A 36 -32.216 28.901 3.032 1.00 0.00 C ATOM 550 CD LYS A 36 -31.392 29.384 4.214 1.00 0.00 C ATOM 551 CE LYS A 36 -29.923 29.025 4.052 1.00 0.00 C ATOM 552 NZ LYS A 36 -29.648 27.618 4.457 1.00 0.00 N ATOM 0 H LYS A 36 -32.910 28.996 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 36 -34.120 30.209 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.462 29.233 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -31.404 30.644 2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -33.271 28.887 3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.936 27.876 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -31.495 30.465 4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -31.777 28.941 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.627 29.168 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -29.315 29.701 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -28.636 27.412 4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -29.907 27.487 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -30.208 26.971 3.866 1.00 0.00 H new ATOM 566 N ILE A 37 -32.418 32.010 -0.251 1.00 0.00 N ATOM 567 CA ILE A 37 -32.203 33.368 -0.732 1.00 0.00 C ATOM 568 C ILE A 37 -33.431 33.893 -1.467 1.00 0.00 C ATOM 569 O ILE A 37 -33.692 35.096 -1.484 1.00 0.00 O ATOM 570 CB ILE A 37 -30.984 33.447 -1.670 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.291 32.753 -2.999 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.765 32.821 -1.009 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.121 32.737 -3.957 1.00 0.00 C ATOM 0 H ILE A 37 -31.938 31.290 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 37 -32.017 33.987 0.146 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.765 34.496 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -31.602 31.727 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -32.133 33.255 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.912 32.885 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.538 33.354 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.971 31.775 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.411 32.230 -4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -29.824 33.761 -4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.284 32.209 -3.500 1.00 0.00 H new ATOM 585 N LEU A 38 -34.184 32.981 -2.074 1.00 0.00 N ATOM 586 CA LEU A 38 -35.388 33.351 -2.810 1.00 0.00 C ATOM 587 C LEU A 38 -36.438 33.944 -1.875 1.00 0.00 C ATOM 588 O LEU A 38 -37.128 34.899 -2.229 1.00 0.00 O ATOM 589 CB LEU A 38 -35.963 32.131 -3.532 1.00 0.00 C ATOM 590 CG LEU A 38 -35.583 31.983 -5.006 1.00 0.00 C ATOM 591 CD1 LEU A 38 -36.033 33.200 -5.798 1.00 0.00 C ATOM 592 CD2 LEU A 38 -34.083 31.774 -5.152 1.00 0.00 C ATOM 0 H LEU A 38 -33.982 31.981 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.116 34.107 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.640 31.235 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -37.050 32.170 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 38 -36.092 31.106 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.754 33.077 -6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -37.115 33.304 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.553 34.093 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.831 31.671 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.554 32.631 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.788 30.870 -4.618 1.00 0.00 H new ATOM 604 N GLU A 39 -36.551 33.371 -0.681 1.00 0.00 N ATOM 605 CA GLU A 39 -37.515 33.844 0.304 1.00 0.00 C ATOM 606 C GLU A 39 -36.902 34.924 1.191 1.00 0.00 C ATOM 607 O GLU A 39 -37.593 35.834 1.650 1.00 0.00 O ATOM 608 CB GLU A 39 -38.010 32.681 1.167 1.00 0.00 C ATOM 609 CG GLU A 39 -39.416 32.220 0.819 1.00 0.00 C ATOM 610 CD GLU A 39 -40.480 33.202 1.270 1.00 0.00 C ATOM 611 OE1 GLU A 39 -40.153 34.107 2.065 1.00 0.00 O ATOM 612 OE2 GLU A 39 -41.639 33.064 0.827 1.00 0.00 O ATOM 0 H GLU A 39 -35.987 32.579 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.361 34.275 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -37.324 31.841 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.984 32.980 2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -39.491 32.078 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -39.602 31.251 1.282 1.00 0.00 H new ATOM 619 N LYS A 40 -35.599 34.816 1.430 1.00 0.00 N ATOM 620 CA LYS A 40 -34.890 35.781 2.261 1.00 0.00 C ATOM 621 C LYS A 40 -34.726 37.110 1.531 1.00 0.00 C ATOM 622 O LYS A 40 -34.982 38.174 2.094 1.00 0.00 O ATOM 623 CB LYS A 40 -33.518 35.232 2.658 1.00 0.00 C ATOM 624 CG LYS A 40 -32.716 36.178 3.536 1.00 0.00 C ATOM 625 CD LYS A 40 -32.195 35.478 4.780 1.00 0.00 C ATOM 626 CE LYS A 40 -33.250 35.430 5.875 1.00 0.00 C ATOM 627 NZ LYS A 40 -32.689 35.806 7.202 1.00 0.00 N ATOM 0 H LYS A 40 -35.012 34.069 1.059 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.480 35.951 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.652 34.287 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.947 35.016 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -31.879 36.582 2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.340 37.023 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -31.886 34.464 4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -31.310 35.998 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -34.067 36.105 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -33.671 34.426 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -33.439 35.761 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -31.926 35.147 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -32.310 36.773 7.157 1.00 0.00 H new ATOM 641 N ALA A 41 -34.298 37.041 0.274 1.00 0.00 N ATOM 642 CA ALA A 41 -34.104 38.239 -0.534 1.00 0.00 C ATOM 643 C ALA A 41 -35.439 38.881 -0.893 1.00 0.00 C ATOM 644 O ALA A 41 -35.652 40.070 -0.655 1.00 0.00 O ATOM 645 CB ALA A 41 -33.321 37.903 -1.794 1.00 0.00 C ATOM 0 H ALA A 41 -34.079 36.168 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.533 38.957 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.183 38.806 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.347 37.497 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -33.871 37.165 -2.378 1.00 0.00 H new ATOM 651 N LYS A 42 -36.336 38.088 -1.469 1.00 0.00 N ATOM 652 CA LYS A 42 -37.652 38.579 -1.861 1.00 0.00 C ATOM 653 C LYS A 42 -38.370 39.217 -0.677 1.00 0.00 C ATOM 654 O LYS A 42 -39.216 40.094 -0.852 1.00 0.00 O ATOM 655 CB LYS A 42 -38.497 37.435 -2.428 1.00 0.00 C ATOM 656 CG LYS A 42 -39.842 37.885 -2.971 1.00 0.00 C ATOM 657 CD LYS A 42 -40.275 37.041 -4.158 1.00 0.00 C ATOM 658 CE LYS A 42 -40.625 35.622 -3.735 1.00 0.00 C ATOM 659 NZ LYS A 42 -40.880 34.741 -4.908 1.00 0.00 N ATOM 0 H LYS A 42 -36.176 37.102 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.515 39.338 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -37.939 36.942 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.660 36.693 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -40.593 37.820 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -39.783 38.932 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -41.138 37.502 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -39.475 37.014 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -39.810 35.209 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -41.508 35.641 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -41.115 33.783 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -41.674 35.121 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -40.029 34.702 -5.505 1.00 0.00 H new ATOM 673 N GLU A 43 -38.027 38.772 0.528 1.00 0.00 N ATOM 674 CA GLU A 43 -38.640 39.302 1.741 1.00 0.00 C ATOM 675 C GLU A 43 -37.920 40.563 2.208 1.00 0.00 C ATOM 676 O GLU A 43 -38.503 41.646 2.243 1.00 0.00 O ATOM 677 CB GLU A 43 -38.619 38.249 2.851 1.00 0.00 C ATOM 678 CG GLU A 43 -39.273 38.712 4.141 1.00 0.00 C ATOM 679 CD GLU A 43 -39.674 37.558 5.039 1.00 0.00 C ATOM 680 OE1 GLU A 43 -40.494 36.723 4.603 1.00 0.00 O ATOM 681 OE2 GLU A 43 -39.167 37.490 6.179 1.00 0.00 O ATOM 0 H GLU A 43 -37.329 38.047 0.690 1.00 0.00 H new ATOM 0 HA GLU A 43 -39.674 39.559 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.126 37.351 2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.585 37.971 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.585 39.364 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.155 39.306 3.904 1.00 0.00 H new ATOM 688 N GLU A 44 -36.648 40.414 2.566 1.00 0.00 N ATOM 689 CA GLU A 44 -35.849 41.541 3.032 1.00 0.00 C ATOM 690 C GLU A 44 -35.910 42.698 2.040 1.00 0.00 C ATOM 691 O GLU A 44 -35.960 43.864 2.432 1.00 0.00 O ATOM 692 CB GLU A 44 -34.396 41.111 3.244 1.00 0.00 C ATOM 693 CG GLU A 44 -33.677 40.742 1.957 1.00 0.00 C ATOM 694 CD GLU A 44 -32.495 39.821 2.193 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.430 39.204 3.276 1.00 0.00 O ATOM 696 OE2 GLU A 44 -31.636 39.718 1.293 1.00 0.00 O ATOM 0 H GLU A 44 -36.149 39.524 2.542 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.262 41.879 3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -33.854 41.920 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.374 40.257 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.380 40.259 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -33.332 41.651 1.464 1.00 0.00 H new ATOM 703 N ALA A 45 -35.903 42.368 0.753 1.00 0.00 N ATOM 704 CA ALA A 45 -35.959 43.378 -0.296 1.00 0.00 C ATOM 705 C ALA A 45 -37.334 44.035 -0.354 1.00 0.00 C ATOM 706 O ALA A 45 -37.447 45.242 -0.565 1.00 0.00 O ATOM 707 CB ALA A 45 -35.609 42.762 -1.642 1.00 0.00 C ATOM 0 H ALA A 45 -35.859 41.408 0.412 1.00 0.00 H new ATOM 0 HA ALA A 45 -35.226 44.150 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -35.655 43.528 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -34.602 42.347 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.319 41.968 -1.875 1.00 0.00 H new ATOM 713 N GLU A 46 -38.376 43.231 -0.166 1.00 0.00 N ATOM 714 CA GLU A 46 -39.744 43.736 -0.199 1.00 0.00 C ATOM 715 C GLU A 46 -40.004 44.680 0.971 1.00 0.00 C ATOM 716 O GLU A 46 -40.505 45.790 0.789 1.00 0.00 O ATOM 717 CB GLU A 46 -40.740 42.575 -0.163 1.00 0.00 C ATOM 718 CG GLU A 46 -41.183 42.110 -1.540 1.00 0.00 C ATOM 719 CD GLU A 46 -41.943 40.798 -1.496 1.00 0.00 C ATOM 720 OE1 GLU A 46 -42.650 40.554 -0.496 1.00 0.00 O ATOM 721 OE2 GLU A 46 -41.829 40.015 -2.462 1.00 0.00 O ATOM 0 H GLU A 46 -38.299 42.229 0.010 1.00 0.00 H new ATOM 0 HA GLU A 46 -39.877 44.291 -1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -40.288 41.736 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -41.617 42.878 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -41.813 42.876 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -40.308 41.998 -2.180 1.00 0.00 H new ATOM 728 N LYS A 47 -39.660 44.231 2.174 1.00 0.00 N ATOM 729 CA LYS A 47 -39.854 45.034 3.375 1.00 0.00 C ATOM 730 C LYS A 47 -38.875 46.203 3.412 1.00 0.00 C ATOM 731 O LYS A 47 -39.256 47.334 3.718 1.00 0.00 O ATOM 732 CB LYS A 47 -39.679 44.169 4.625 1.00 0.00 C ATOM 733 CG LYS A 47 -38.341 43.454 4.688 1.00 0.00 C ATOM 734 CD LYS A 47 -38.473 42.077 5.317 1.00 0.00 C ATOM 735 CE LYS A 47 -37.472 41.882 6.446 1.00 0.00 C ATOM 736 NZ LYS A 47 -37.489 40.487 6.966 1.00 0.00 N ATOM 0 H LYS A 47 -39.245 43.315 2.342 1.00 0.00 H new ATOM 0 HA LYS A 47 -40.868 45.433 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -39.788 44.797 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -40.479 43.429 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -37.931 43.358 3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -37.635 44.052 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -39.485 41.946 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -38.319 41.312 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -36.471 42.125 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -37.699 42.575 7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -36.869 40.419 7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -38.460 40.229 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -37.150 39.837 6.228 1.00 0.00 H new