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+ -154:sc= -0.0746 (180deg=-0.47) USER MOD Single : A 13 SER OG : rot 89:sc= 1.2 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= -0.112 X(o=-0.11,f=-0.32) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -88:sc= 0.442 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -13.066 -2.874 -5.471 1.00 0.00 N ATOM 126 CA ASP A 9 -14.094 -2.247 -4.649 1.00 0.00 C ATOM 127 C ASP A 9 -13.705 -0.816 -4.291 1.00 0.00 C ATOM 128 O ASP A 9 -14.566 0.038 -4.078 1.00 0.00 O ATOM 129 CB ASP A 9 -14.323 -3.061 -3.374 1.00 0.00 C ATOM 130 CG ASP A 9 -15.349 -4.160 -3.565 1.00 0.00 C ATOM 131 OD1 ASP A 9 -15.150 -5.007 -4.461 1.00 0.00 O ATOM 132 OD2 ASP A 9 -16.351 -4.173 -2.820 1.00 0.00 O ATOM 0 HA ASP A 9 -15.019 -2.220 -5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.379 -3.501 -3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.652 -2.396 -2.576 1.00 0.00 H new ATOM 137 N LYS A 10 -12.403 -0.561 -4.225 1.00 0.00 N ATOM 138 CA LYS A 10 -11.899 0.767 -3.893 1.00 0.00 C ATOM 139 C LYS A 10 -12.010 1.706 -5.090 1.00 0.00 C ATOM 140 O LYS A 10 -12.547 2.808 -4.977 1.00 0.00 O ATOM 141 CB LYS A 10 -10.442 0.681 -3.433 1.00 0.00 C ATOM 142 CG LYS A 10 -10.279 0.122 -2.030 1.00 0.00 C ATOM 143 CD LYS A 10 -8.987 0.597 -1.387 1.00 0.00 C ATOM 144 CE LYS A 10 -8.558 -0.322 -0.253 1.00 0.00 C ATOM 145 NZ LYS A 10 -7.076 -0.396 -0.129 1.00 0.00 N ATOM 0 H LYS A 10 -11.677 -1.256 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.507 1.167 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.886 0.056 -4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.998 1.676 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.126 0.427 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.288 -0.967 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.199 0.640 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.120 1.609 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.983 0.035 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.958 -1.321 -0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.825 -1.032 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.671 -0.761 -1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.696 0.553 0.060 1.00 0.00 H new ATOM 159 N ILE A 11 -11.502 1.261 -6.234 1.00 0.00 N ATOM 160 CA ILE A 11 -11.548 2.062 -7.452 1.00 0.00 C ATOM 161 C ILE A 11 -12.983 2.253 -7.931 1.00 0.00 C ATOM 162 O ILE A 11 -13.351 3.324 -8.412 1.00 0.00 O ATOM 163 CB ILE A 11 -10.723 1.416 -8.581 1.00 0.00 C ATOM 164 CG1 ILE A 11 -11.205 -0.013 -8.841 1.00 0.00 C ATOM 165 CG2 ILE A 11 -9.243 1.426 -8.228 1.00 0.00 C ATOM 166 CD1 ILE A 11 -12.298 -0.101 -9.883 1.00 0.00 C ATOM 0 H ILE A 11 -11.054 0.351 -6.344 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.117 3.033 -7.208 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.863 1.998 -9.492 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.359 -0.621 -9.161 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.569 -0.441 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.673 0.966 -9.035 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.909 2.454 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.085 0.865 -7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.591 -1.142 -10.016 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.161 0.479 -9.555 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.931 0.297 -10.829 1.00 0.00 H new ATOM 178 N LYS A 12 -13.791 1.207 -7.794 1.00 0.00 N ATOM 179 CA LYS A 12 -15.187 1.258 -8.209 1.00 0.00 C ATOM 180 C LYS A 12 -16.000 2.149 -7.274 1.00 0.00 C ATOM 181 O LYS A 12 -17.010 2.727 -7.675 1.00 0.00 O ATOM 182 CB LYS A 12 -15.785 -0.150 -8.237 1.00 0.00 C ATOM 183 CG LYS A 12 -17.290 -0.168 -8.438 1.00 0.00 C ATOM 184 CD LYS A 12 -18.029 -0.254 -7.113 1.00 0.00 C ATOM 185 CE LYS A 12 -18.380 -1.692 -6.763 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.372 -2.268 -7.713 1.00 0.00 N ATOM 0 H LYS A 12 -13.502 0.313 -7.398 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.226 1.682 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.313 -0.720 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.546 -0.656 -7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.598 0.733 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.564 -1.017 -9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.412 0.174 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.940 0.342 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.475 -2.299 -6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.781 -1.732 -5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.907 -3.024 -7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.027 -1.523 -8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.875 -2.660 -8.538 1.00 0.00 H new ATOM 200 N SER A 13 -15.552 2.255 -6.027 1.00 0.00 N ATOM 201 CA SER A 13 -16.239 3.074 -5.035 1.00 0.00 C ATOM 202 C SER A 13 -15.696 4.499 -5.037 1.00 0.00 C ATOM 203 O SER A 13 -16.389 5.441 -4.649 1.00 0.00 O ATOM 204 CB SER A 13 -16.087 2.459 -3.643 1.00 0.00 C ATOM 205 OG SER A 13 -16.827 1.256 -3.532 1.00 0.00 O ATOM 0 H SER A 13 -14.717 1.784 -5.680 1.00 0.00 H new ATOM 0 HA SER A 13 -17.297 3.107 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.034 2.261 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.427 3.169 -2.889 1.00 0.00 H new ATOM 0 HG SER A 13 -16.271 0.502 -3.819 1.00 0.00 H new ATOM 211 N LYS A 14 -14.452 4.651 -5.476 1.00 0.00 N ATOM 212 CA LYS A 14 -13.814 5.961 -5.531 1.00 0.00 C ATOM 213 C LYS A 14 -14.565 6.894 -6.475 1.00 0.00 C ATOM 214 O LYS A 14 -15.175 7.872 -6.041 1.00 0.00 O ATOM 215 CB LYS A 14 -12.358 5.824 -5.984 1.00 0.00 C ATOM 216 CG LYS A 14 -11.439 6.886 -5.406 1.00 0.00 C ATOM 217 CD LYS A 14 -11.969 8.286 -5.670 1.00 0.00 C ATOM 218 CE LYS A 14 -12.056 8.577 -7.160 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.115 9.655 -7.570 1.00 0.00 N ATOM 0 H LYS A 14 -13.865 3.882 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.838 6.390 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.988 4.840 -5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.318 5.874 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.334 6.732 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.445 6.784 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.955 8.394 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.318 9.019 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.835 7.669 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.075 8.868 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.205 9.824 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.342 10.529 -7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.140 9.367 -7.351 1.00 0.00 H new ATOM 233 N ILE A 15 -14.519 6.584 -7.766 1.00 0.00 N ATOM 234 CA ILE A 15 -15.197 7.393 -8.771 1.00 0.00 C ATOM 235 C ILE A 15 -16.693 7.480 -8.487 1.00 0.00 C ATOM 236 O ILE A 15 -17.305 8.538 -8.643 1.00 0.00 O ATOM 237 CB ILE A 15 -14.986 6.827 -10.187 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.503 6.539 -10.429 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.521 7.796 -11.230 1.00 0.00 C ATOM 240 CD1 ILE A 15 -13.201 5.074 -10.655 1.00 0.00 C ATOM 0 H ILE A 15 -14.019 5.778 -8.141 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.761 8.391 -8.720 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.537 5.891 -10.274 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.167 7.109 -11.295 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.928 6.892 -9.573 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.364 7.382 -12.226 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.587 7.955 -11.066 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.996 8.747 -11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.131 4.944 -10.820 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.506 4.500 -9.780 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.748 4.720 -11.529 1.00 0.00 H new ATOM 252 N LEU A 16 -17.276 6.362 -8.070 1.00 0.00 N ATOM 253 CA LEU A 16 -18.702 6.311 -7.762 1.00 0.00 C ATOM 254 C LEU A 16 -19.047 7.263 -6.621 1.00 0.00 C ATOM 255 O LEU A 16 -19.861 8.172 -6.783 1.00 0.00 O ATOM 256 CB LEU A 16 -19.113 4.885 -7.394 1.00 0.00 C ATOM 257 CG LEU A 16 -19.499 3.975 -8.561 1.00 0.00 C ATOM 258 CD1 LEU A 16 -19.867 2.588 -8.057 1.00 0.00 C ATOM 259 CD2 LEU A 16 -20.650 4.580 -9.351 1.00 0.00 C ATOM 0 H LEU A 16 -16.784 5.478 -7.937 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.252 6.623 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.289 4.419 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.957 4.938 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.639 3.882 -9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.139 1.954 -8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -19.015 2.152 -7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.712 2.662 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.911 3.919 -10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -21.514 4.704 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.350 5.551 -9.744 1.00 0.00 H new ATOM 271 N ASP A 17 -18.420 7.049 -5.470 1.00 0.00 N ATOM 272 CA ASP A 17 -18.659 7.890 -4.302 1.00 0.00 C ATOM 273 C ASP A 17 -18.249 9.333 -4.579 1.00 0.00 C ATOM 274 O ASP A 17 -18.904 10.272 -4.127 1.00 0.00 O ATOM 275 CB ASP A 17 -17.890 7.351 -3.094 1.00 0.00 C ATOM 276 CG ASP A 17 -18.412 7.906 -1.783 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.530 8.460 -1.776 1.00 0.00 O ATOM 278 OD2 ASP A 17 -17.700 7.786 -0.763 1.00 0.00 O ATOM 0 H ASP A 17 -17.743 6.301 -5.320 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.726 7.870 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.959 6.263 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.834 7.602 -3.197 1.00 0.00 H new ATOM 283 N ASP A 18 -17.161 9.501 -5.323 1.00 0.00 N ATOM 284 CA ASP A 18 -16.663 10.830 -5.660 1.00 0.00 C ATOM 285 C ASP A 18 -17.666 11.580 -6.532 1.00 0.00 C ATOM 286 O ASP A 18 -18.121 12.667 -6.177 1.00 0.00 O ATOM 287 CB ASP A 18 -15.319 10.726 -6.382 1.00 0.00 C ATOM 288 CG ASP A 18 -14.852 12.060 -6.930 1.00 0.00 C ATOM 289 OD1 ASP A 18 -14.693 13.008 -6.132 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.643 12.156 -8.157 1.00 0.00 O ATOM 0 H ASP A 18 -16.607 8.734 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.526 11.386 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.569 10.337 -5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.403 10.010 -7.200 1.00 0.00 H new ATOM 295 N ALA A 19 -18.004 10.993 -7.675 1.00 0.00 N ATOM 296 CA ALA A 19 -18.953 11.606 -8.597 1.00 0.00 C ATOM 297 C ALA A 19 -20.323 11.768 -7.947 1.00 0.00 C ATOM 298 O ALA A 19 -20.983 12.793 -8.114 1.00 0.00 O ATOM 299 CB ALA A 19 -19.064 10.777 -9.868 1.00 0.00 C ATOM 0 H ALA A 19 -17.635 10.094 -7.985 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.583 12.598 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.776 11.246 -10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.088 10.717 -10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.408 9.773 -9.619 1.00 0.00 H new ATOM 305 N LYS A 20 -20.745 10.749 -7.206 1.00 0.00 N ATOM 306 CA LYS A 20 -22.037 10.778 -6.531 1.00 0.00 C ATOM 307 C LYS A 20 -22.067 11.864 -5.460 1.00 0.00 C ATOM 308 O LYS A 20 -23.065 12.567 -5.304 1.00 0.00 O ATOM 309 CB LYS A 20 -22.336 9.416 -5.899 1.00 0.00 C ATOM 310 CG LYS A 20 -22.752 8.357 -6.905 1.00 0.00 C ATOM 311 CD LYS A 20 -22.636 6.959 -6.323 1.00 0.00 C ATOM 312 CE LYS A 20 -23.546 6.779 -5.118 1.00 0.00 C ATOM 313 NZ LYS A 20 -23.408 5.424 -4.516 1.00 0.00 N ATOM 0 H LYS A 20 -20.211 9.893 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 20 -22.802 11.003 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.451 9.070 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.128 9.534 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -23.780 8.537 -7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.128 8.434 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -22.892 6.224 -7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.603 6.770 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -23.310 7.535 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -24.582 6.939 -5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -24.044 5.341 -3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -23.657 4.703 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.426 5.280 -4.206 1.00 0.00 H new ATOM 327 N ALA A 21 -20.967 11.996 -4.726 1.00 0.00 N ATOM 328 CA ALA A 21 -20.867 12.999 -3.674 1.00 0.00 C ATOM 329 C ALA A 21 -20.902 14.409 -4.253 1.00 0.00 C ATOM 330 O ALA A 21 -21.538 15.303 -3.697 1.00 0.00 O ATOM 331 CB ALA A 21 -19.595 12.790 -2.865 1.00 0.00 C ATOM 0 H ALA A 21 -20.133 11.421 -4.841 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.727 12.884 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.533 13.546 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.611 11.799 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.729 12.875 -3.521 1.00 0.00 H new ATOM 337 N GLU A 22 -20.213 14.601 -5.374 1.00 0.00 N ATOM 338 CA GLU A 22 -20.165 15.903 -6.027 1.00 0.00 C ATOM 339 C GLU A 22 -21.562 16.357 -6.440 1.00 0.00 C ATOM 340 O GLU A 22 -21.912 17.528 -6.302 1.00 0.00 O ATOM 341 CB GLU A 22 -19.251 15.850 -7.254 1.00 0.00 C ATOM 342 CG GLU A 22 -18.351 17.067 -7.395 1.00 0.00 C ATOM 343 CD GLU A 22 -17.320 16.905 -8.494 1.00 0.00 C ATOM 344 OE1 GLU A 22 -17.423 15.930 -9.267 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.408 17.754 -8.582 1.00 0.00 O ATOM 0 H GLU A 22 -19.681 13.871 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.764 16.623 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.632 14.955 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.865 15.756 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.963 17.945 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.842 17.250 -6.449 1.00 0.00 H new ATOM 352 N ALA A 23 -22.356 15.419 -6.948 1.00 0.00 N ATOM 353 CA ALA A 23 -23.715 15.721 -7.380 1.00 0.00 C ATOM 354 C ALA A 23 -24.670 15.769 -6.192 1.00 0.00 C ATOM 355 O ALA A 23 -25.738 16.376 -6.267 1.00 0.00 O ATOM 356 CB ALA A 23 -24.186 14.693 -8.398 1.00 0.00 C ATOM 0 H ALA A 23 -22.081 14.444 -7.070 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.711 16.705 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.202 14.931 -8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.525 14.710 -9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.168 13.700 -7.948 1.00 0.00 H new ATOM 362 N ASN A 24 -24.280 15.124 -5.098 1.00 0.00 N ATOM 363 CA ASN A 24 -25.103 15.092 -3.895 1.00 0.00 C ATOM 364 C ASN A 24 -24.874 16.338 -3.045 1.00 0.00 C ATOM 365 O ASN A 24 -25.746 16.753 -2.283 1.00 0.00 O ATOM 366 CB ASN A 24 -24.794 13.838 -3.074 1.00 0.00 C ATOM 367 CG ASN A 24 -25.719 12.684 -3.411 1.00 0.00 C ATOM 368 OD1 ASN A 24 -26.936 12.853 -3.492 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.144 11.504 -3.609 1.00 0.00 N ATOM 0 H ASN A 24 -23.399 14.616 -5.020 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.149 15.070 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.762 13.536 -3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.880 14.071 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.715 10.691 -3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.131 11.411 -3.531 1.00 0.00 H new ATOM 376 N LYS A 25 -23.693 16.932 -3.184 1.00 0.00 N ATOM 377 CA LYS A 25 -23.348 18.133 -2.432 1.00 0.00 C ATOM 378 C LYS A 25 -23.741 19.389 -3.202 1.00 0.00 C ATOM 379 O LYS A 25 -23.886 20.465 -2.620 1.00 0.00 O ATOM 380 CB LYS A 25 -21.848 18.156 -2.129 1.00 0.00 C ATOM 381 CG LYS A 25 -21.526 18.409 -0.666 1.00 0.00 C ATOM 382 CD LYS A 25 -22.096 17.320 0.227 1.00 0.00 C ATOM 383 CE LYS A 25 -21.128 16.948 1.339 1.00 0.00 C ATOM 384 NZ LYS A 25 -21.832 16.364 2.514 1.00 0.00 N ATOM 0 H LYS A 25 -22.959 16.601 -3.810 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.902 18.116 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.411 17.204 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.375 18.929 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.445 18.460 -0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.930 19.376 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.037 17.659 0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.321 16.437 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.398 16.233 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.575 17.834 1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.138 16.124 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.511 17.056 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.339 15.504 2.223 1.00 0.00 H new ATOM 398 N ILE A 26 -23.914 19.245 -4.511 1.00 0.00 N ATOM 399 CA ILE A 26 -24.294 20.368 -5.359 1.00 0.00 C ATOM 400 C ILE A 26 -25.808 20.546 -5.391 1.00 0.00 C ATOM 401 O ILE A 26 -26.308 21.650 -5.609 1.00 0.00 O ATOM 402 CB ILE A 26 -23.779 20.185 -6.800 1.00 0.00 C ATOM 403 CG1 ILE A 26 -23.714 21.535 -7.517 1.00 0.00 C ATOM 404 CG2 ILE A 26 -24.671 19.217 -7.562 1.00 0.00 C ATOM 405 CD1 ILE A 26 -22.689 22.481 -6.932 1.00 0.00 C ATOM 0 H ILE A 26 -23.797 18.362 -5.008 1.00 0.00 H new ATOM 0 HA ILE A 26 -23.835 21.258 -4.928 1.00 0.00 H new ATOM 0 HB ILE A 26 -22.773 19.767 -6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.483 21.368 -8.569 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.696 22.006 -7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.294 19.098 -8.578 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -24.671 18.250 -7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -25.688 19.609 -7.595 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -22.698 23.418 -7.490 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -22.930 22.678 -5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.699 22.030 -6.997 1.00 0.00 H new ATOM 417 N ILE A 27 -26.531 19.454 -5.172 1.00 0.00 N ATOM 418 CA ILE A 27 -27.988 19.490 -5.172 1.00 0.00 C ATOM 419 C ILE A 27 -28.525 20.056 -3.862 1.00 0.00 C ATOM 420 O ILE A 27 -29.574 20.698 -3.835 1.00 0.00 O ATOM 421 CB ILE A 27 -28.586 18.088 -5.396 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.025 17.101 -4.371 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.300 17.610 -6.812 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.072 16.546 -3.430 1.00 0.00 C ATOM 0 H ILE A 27 -26.132 18.533 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.287 20.140 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.667 18.145 -5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.547 16.275 -4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.250 17.597 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.729 16.618 -6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.744 18.303 -7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.222 17.566 -6.970 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.603 15.854 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.533 17.364 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -29.835 16.021 -4.004 1.00 0.00 H new ATOM 436 N SER A 28 -27.796 19.814 -2.777 1.00 0.00 N ATOM 437 CA SER A 28 -28.199 20.298 -1.462 1.00 0.00 C ATOM 438 C SER A 28 -27.769 21.748 -1.261 1.00 0.00 C ATOM 439 O SER A 28 -28.579 22.603 -0.905 1.00 0.00 O ATOM 440 CB SER A 28 -27.596 19.419 -0.365 1.00 0.00 C ATOM 441 OG SER A 28 -26.213 19.205 -0.585 1.00 0.00 O ATOM 0 H SER A 28 -26.923 19.286 -2.783 1.00 0.00 H new ATOM 0 HA SER A 28 -29.286 20.248 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 28 -27.744 19.891 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 28 -28.115 18.461 -0.336 1.00 0.00 H new ATOM 0 HG SER A 28 -26.091 18.423 -1.163 1.00 0.00 H new ATOM 447 N GLU A 29 -26.488 22.016 -1.493 1.00 0.00 N ATOM 448 CA GLU A 29 -25.949 23.362 -1.337 1.00 0.00 C ATOM 449 C GLU A 29 -26.670 24.347 -2.253 1.00 0.00 C ATOM 450 O GLU A 29 -26.688 25.550 -1.998 1.00 0.00 O ATOM 451 CB GLU A 29 -24.449 23.373 -1.639 1.00 0.00 C ATOM 452 CG GLU A 29 -23.677 24.417 -0.849 1.00 0.00 C ATOM 453 CD GLU A 29 -23.286 23.931 0.533 1.00 0.00 C ATOM 454 OE1 GLU A 29 -22.237 23.263 0.653 1.00 0.00 O ATOM 455 OE2 GLU A 29 -24.028 24.218 1.495 1.00 0.00 O ATOM 0 H GLU A 29 -25.804 21.319 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.107 23.671 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.036 22.388 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.303 23.554 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -22.778 24.693 -1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -24.283 25.318 -0.755 1.00 0.00 H new ATOM 462 N ALA A 30 -27.263 23.825 -3.322 1.00 0.00 N ATOM 463 CA ALA A 30 -27.987 24.656 -4.276 1.00 0.00 C ATOM 464 C ALA A 30 -29.410 24.928 -3.798 1.00 0.00 C ATOM 465 O ALA A 30 -29.759 26.063 -3.475 1.00 0.00 O ATOM 466 CB ALA A 30 -28.006 23.994 -5.646 1.00 0.00 C ATOM 0 H ALA A 30 -27.256 22.831 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.469 25.612 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.550 24.626 -6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -26.984 23.857 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.498 23.024 -5.575 1.00 0.00 H new ATOM 472 N GLU A 31 -30.226 23.880 -3.758 1.00 0.00 N ATOM 473 CA GLU A 31 -31.611 24.007 -3.321 1.00 0.00 C ATOM 474 C GLU A 31 -31.694 24.721 -1.975 1.00 0.00 C ATOM 475 O GLU A 31 -32.685 25.385 -1.672 1.00 0.00 O ATOM 476 CB GLU A 31 -32.267 22.628 -3.220 1.00 0.00 C ATOM 477 CG GLU A 31 -32.164 21.811 -4.496 1.00 0.00 C ATOM 478 CD GLU A 31 -33.483 21.722 -5.240 1.00 0.00 C ATOM 479 OE1 GLU A 31 -34.504 21.391 -4.601 1.00 0.00 O ATOM 480 OE2 GLU A 31 -33.494 21.984 -6.461 1.00 0.00 O ATOM 0 H GLU A 31 -29.952 22.934 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.145 24.602 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -31.803 22.073 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -33.319 22.753 -2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.413 22.256 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -31.820 20.806 -4.253 1.00 0.00 H new ATOM 487 N ALA A 32 -30.645 24.579 -1.171 1.00 0.00 N ATOM 488 CA ALA A 32 -30.598 25.211 0.141 1.00 0.00 C ATOM 489 C ALA A 32 -30.461 26.725 0.017 1.00 0.00 C ATOM 490 O ALA A 32 -31.402 27.467 0.297 1.00 0.00 O ATOM 491 CB ALA A 32 -29.449 24.641 0.960 1.00 0.00 C ATOM 0 H ALA A 32 -29.817 24.032 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.536 24.998 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.425 25.122 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.590 23.568 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.507 24.825 0.443 1.00 0.00 H new ATOM 497 N GLU A 33 -29.283 27.176 -0.403 1.00 0.00 N ATOM 498 CA GLU A 33 -29.024 28.602 -0.562 1.00 0.00 C ATOM 499 C GLU A 33 -30.078 29.250 -1.456 1.00 0.00 C ATOM 500 O GLU A 33 -30.501 30.380 -1.216 1.00 0.00 O ATOM 501 CB GLU A 33 -27.630 28.827 -1.153 1.00 0.00 C ATOM 502 CG GLU A 33 -27.471 28.280 -2.562 1.00 0.00 C ATOM 503 CD GLU A 33 -27.884 29.279 -3.625 1.00 0.00 C ATOM 504 OE1 GLU A 33 -27.585 30.480 -3.458 1.00 0.00 O ATOM 505 OE2 GLU A 33 -28.505 28.860 -4.624 1.00 0.00 O ATOM 0 H GLU A 33 -28.494 26.575 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.073 29.066 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.416 29.896 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -26.890 28.358 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.431 27.994 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -28.070 27.375 -2.666 1.00 0.00 H new ATOM 512 N LYS A 34 -30.496 28.525 -2.488 1.00 0.00 N ATOM 513 CA LYS A 34 -31.501 29.026 -3.418 1.00 0.00 C ATOM 514 C LYS A 34 -32.804 29.346 -2.692 1.00 0.00 C ATOM 515 O LYS A 34 -33.235 30.498 -2.650 1.00 0.00 O ATOM 516 CB LYS A 34 -31.759 28.000 -4.524 1.00 0.00 C ATOM 517 CG LYS A 34 -32.956 28.335 -5.397 1.00 0.00 C ATOM 518 CD LYS A 34 -33.248 27.226 -6.393 1.00 0.00 C ATOM 519 CE LYS A 34 -34.741 26.964 -6.515 1.00 0.00 C ATOM 520 NZ LYS A 34 -35.156 26.768 -7.932 1.00 0.00 N ATOM 0 H LYS A 34 -30.154 27.588 -2.701 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.120 29.944 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.871 27.924 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.913 27.021 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -33.831 28.500 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -32.768 29.266 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -32.844 27.496 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -32.742 26.313 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -35.003 26.080 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -35.293 27.801 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -36.180 26.592 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -34.929 27.621 -8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -34.649 25.953 -8.333 1.00 0.00 H new ATOM 534 N ALA A 35 -33.424 28.320 -2.120 1.00 0.00 N ATOM 535 CA ALA A 35 -34.675 28.492 -1.392 1.00 0.00 C ATOM 536 C ALA A 35 -34.507 29.474 -0.237 1.00 0.00 C ATOM 537 O ALA A 35 -35.487 29.993 0.298 1.00 0.00 O ATOM 538 CB ALA A 35 -35.177 27.151 -0.879 1.00 0.00 C ATOM 0 H ALA A 35 -33.080 27.360 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.413 28.904 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.112 27.295 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.345 26.479 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.434 26.716 -0.211 1.00 0.00 H new ATOM 544 N LYS A 36 -33.259 29.724 0.144 1.00 0.00 N ATOM 545 CA LYS A 36 -32.962 30.644 1.235 1.00 0.00 C ATOM 546 C LYS A 36 -32.963 32.088 0.745 1.00 0.00 C ATOM 547 O LYS A 36 -33.636 32.947 1.317 1.00 0.00 O ATOM 548 CB LYS A 36 -31.605 30.307 1.858 1.00 0.00 C ATOM 549 CG LYS A 36 -31.419 30.874 3.255 1.00 0.00 C ATOM 550 CD LYS A 36 -30.375 30.096 4.038 1.00 0.00 C ATOM 551 CE LYS A 36 -28.985 30.279 3.447 1.00 0.00 C ATOM 552 NZ LYS A 36 -27.955 29.517 4.206 1.00 0.00 N ATOM 0 H LYS A 36 -32.437 29.302 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.740 30.535 1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.491 29.224 1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.814 30.688 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -31.120 31.920 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -32.369 30.848 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.376 30.427 5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.634 29.037 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -28.986 29.951 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.727 31.338 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.022 29.668 3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -27.936 29.847 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -28.187 28.503 4.185 1.00 0.00 H new ATOM 566 N ILE A 37 -32.208 32.349 -0.316 1.00 0.00 N ATOM 567 CA ILE A 37 -32.126 33.689 -0.884 1.00 0.00 C ATOM 568 C ILE A 37 -33.398 34.043 -1.646 1.00 0.00 C ATOM 569 O ILE A 37 -33.777 35.211 -1.735 1.00 0.00 O ATOM 570 CB ILE A 37 -30.918 33.826 -1.830 1.00 0.00 C ATOM 571 CG1 ILE A 37 -30.983 32.766 -2.931 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.618 33.709 -1.050 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.769 33.324 -4.321 1.00 0.00 C ATOM 0 H ILE A 37 -31.644 31.650 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 37 -32.003 34.379 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.950 34.810 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.230 32.003 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -31.954 32.272 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.774 33.808 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.572 34.498 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.575 32.737 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.829 32.516 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -31.538 34.066 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.786 33.792 -4.378 1.00 0.00 H new ATOM 585 N LEU A 38 -34.054 33.026 -2.194 1.00 0.00 N ATOM 586 CA LEU A 38 -35.287 33.228 -2.948 1.00 0.00 C ATOM 587 C LEU A 38 -36.400 33.747 -2.044 1.00 0.00 C ATOM 588 O LEU A 38 -37.198 34.592 -2.449 1.00 0.00 O ATOM 589 CB LEU A 38 -35.721 31.921 -3.613 1.00 0.00 C ATOM 590 CG LEU A 38 -35.261 31.716 -5.057 1.00 0.00 C ATOM 591 CD1 LEU A 38 -35.883 32.763 -5.969 1.00 0.00 C ATOM 592 CD2 LEU A 38 -33.743 31.765 -5.144 1.00 0.00 C ATOM 0 H LEU A 38 -33.753 32.053 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.094 33.974 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.349 31.091 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.809 31.869 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.593 30.732 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.544 32.601 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -36.969 32.681 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.582 33.757 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.433 31.617 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.390 32.735 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.317 30.978 -4.522 1.00 0.00 H new ATOM 604 N GLU A 39 -36.445 33.237 -0.817 1.00 0.00 N ATOM 605 CA GLU A 39 -37.459 33.651 0.145 1.00 0.00 C ATOM 606 C GLU A 39 -36.970 34.833 0.978 1.00 0.00 C ATOM 607 O GLU A 39 -37.762 35.664 1.422 1.00 0.00 O ATOM 608 CB GLU A 39 -37.829 32.484 1.063 1.00 0.00 C ATOM 609 CG GLU A 39 -36.789 32.198 2.133 1.00 0.00 C ATOM 610 CD GLU A 39 -36.987 33.039 3.379 1.00 0.00 C ATOM 611 OE1 GLU A 39 -38.087 32.974 3.969 1.00 0.00 O ATOM 612 OE2 GLU A 39 -36.045 33.760 3.765 1.00 0.00 O ATOM 0 H GLU A 39 -35.791 32.537 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.344 33.962 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -38.783 32.699 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.972 31.588 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -36.830 31.142 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -35.795 32.385 1.727 1.00 0.00 H new ATOM 619 N LYS A 40 -35.660 34.899 1.186 1.00 0.00 N ATOM 620 CA LYS A 40 -35.062 35.978 1.965 1.00 0.00 C ATOM 621 C LYS A 40 -35.038 37.277 1.165 1.00 0.00 C ATOM 622 O LYS A 40 -35.403 38.337 1.674 1.00 0.00 O ATOM 623 CB LYS A 40 -33.641 35.602 2.389 1.00 0.00 C ATOM 624 CG LYS A 40 -32.989 36.623 3.305 1.00 0.00 C ATOM 625 CD LYS A 40 -32.496 35.985 4.592 1.00 0.00 C ATOM 626 CE LYS A 40 -31.206 36.628 5.075 1.00 0.00 C ATOM 627 NZ LYS A 40 -30.053 35.688 4.996 1.00 0.00 N ATOM 0 H LYS A 40 -34.991 34.218 0.826 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.672 36.131 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.665 34.636 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -33.025 35.480 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.153 37.095 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.704 37.411 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -33.261 36.079 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -32.335 34.919 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -30.995 37.513 4.475 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -31.331 36.964 6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -29.193 36.165 5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -30.243 34.855 5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -29.917 35.387 4.010 1.00 0.00 H new ATOM 641 N ALA A 41 -34.607 37.187 -0.089 1.00 0.00 N ATOM 642 CA ALA A 41 -34.540 38.354 -0.959 1.00 0.00 C ATOM 643 C ALA A 41 -35.931 38.908 -1.244 1.00 0.00 C ATOM 644 O ALA A 41 -36.210 40.079 -0.985 1.00 0.00 O ATOM 645 CB ALA A 41 -33.833 38.003 -2.260 1.00 0.00 C ATOM 0 H ALA A 41 -34.299 36.318 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.969 39.127 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.790 38.884 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.820 37.662 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.381 37.211 -2.770 1.00 0.00 H new ATOM 651 N LYS A 42 -36.802 38.060 -1.780 1.00 0.00 N ATOM 652 CA LYS A 42 -38.166 38.464 -2.101 1.00 0.00 C ATOM 653 C LYS A 42 -38.861 39.053 -0.878 1.00 0.00 C ATOM 654 O LYS A 42 -39.719 39.926 -1.001 1.00 0.00 O ATOM 655 CB LYS A 42 -38.964 37.268 -2.626 1.00 0.00 C ATOM 656 CG LYS A 42 -38.860 37.081 -4.130 1.00 0.00 C ATOM 657 CD LYS A 42 -37.419 36.884 -4.570 1.00 0.00 C ATOM 658 CE LYS A 42 -36.772 38.202 -4.967 1.00 0.00 C ATOM 659 NZ LYS A 42 -35.825 38.034 -6.104 1.00 0.00 N ATOM 0 H LYS A 42 -36.587 37.088 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 42 -38.118 39.230 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.614 36.362 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -40.012 37.394 -2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -39.455 36.219 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -39.280 37.951 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -36.850 36.427 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -37.386 36.193 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -37.546 38.918 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -36.241 38.619 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -35.405 38.954 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -35.072 37.370 -5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -36.336 37.660 -6.929 1.00 0.00 H new ATOM 673 N GLU A 43 -38.482 38.571 0.302 1.00 0.00 N ATOM 674 CA GLU A 43 -39.070 39.052 1.547 1.00 0.00 C ATOM 675 C GLU A 43 -38.446 40.381 1.965 1.00 0.00 C ATOM 676 O GLU A 43 -39.120 41.410 2.000 1.00 0.00 O ATOM 677 CB GLU A 43 -38.884 38.017 2.658 1.00 0.00 C ATOM 678 CG GLU A 43 -39.517 38.421 3.979 1.00 0.00 C ATOM 679 CD GLU A 43 -39.822 37.231 4.868 1.00 0.00 C ATOM 680 OE1 GLU A 43 -39.058 36.244 4.822 1.00 0.00 O ATOM 681 OE2 GLU A 43 -40.825 37.287 5.610 1.00 0.00 O ATOM 0 H GLU A 43 -37.772 37.849 0.422 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.136 39.207 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.313 37.068 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.818 37.849 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.847 39.101 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.439 38.969 3.783 1.00 0.00 H new ATOM 688 N GLU A 44 -37.155 40.348 2.282 1.00 0.00 N ATOM 689 CA GLU A 44 -36.442 41.549 2.699 1.00 0.00 C ATOM 690 C GLU A 44 -36.655 42.683 1.701 1.00 0.00 C ATOM 691 O GLU A 44 -36.776 43.847 2.083 1.00 0.00 O ATOM 692 CB GLU A 44 -34.947 41.257 2.843 1.00 0.00 C ATOM 693 CG GLU A 44 -34.250 40.981 1.521 1.00 0.00 C ATOM 694 CD GLU A 44 -32.983 40.165 1.689 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.856 39.473 2.721 1.00 0.00 O ATOM 696 OE2 GLU A 44 -32.119 40.219 0.789 1.00 0.00 O ATOM 0 H GLU A 44 -36.583 39.504 2.258 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.840 41.859 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.465 42.106 3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.815 40.397 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.934 40.451 0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -34.007 41.927 1.038 1.00 0.00 H new ATOM 703 N ALA A 45 -36.699 42.335 0.419 1.00 0.00 N ATOM 704 CA ALA A 45 -36.899 43.322 -0.635 1.00 0.00 C ATOM 705 C ALA A 45 -38.328 43.855 -0.624 1.00 0.00 C ATOM 706 O ALA A 45 -38.560 45.040 -0.859 1.00 0.00 O ATOM 707 CB ALA A 45 -36.568 42.720 -1.992 1.00 0.00 C ATOM 0 H ALA A 45 -36.599 41.376 0.085 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.226 44.159 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.722 43.468 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.528 42.395 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -37.217 41.864 -2.179 1.00 0.00 H new ATOM 713 N GLU A 46 -39.282 42.970 -0.351 1.00 0.00 N ATOM 714 CA GLU A 46 -40.689 43.353 -0.312 1.00 0.00 C ATOM 715 C GLU A 46 -40.972 44.265 0.878 1.00 0.00 C ATOM 716 O GLU A 46 -41.572 45.330 0.730 1.00 0.00 O ATOM 717 CB GLU A 46 -41.577 42.109 -0.237 1.00 0.00 C ATOM 718 CG GLU A 46 -42.016 41.592 -1.597 1.00 0.00 C ATOM 719 CD GLU A 46 -43.199 42.357 -2.158 1.00 0.00 C ATOM 720 OE1 GLU A 46 -44.347 42.019 -1.803 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.976 43.294 -2.953 1.00 0.00 O ATOM 0 H GLU A 46 -39.107 41.985 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.916 43.899 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -41.038 41.319 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -42.461 42.339 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -41.181 41.660 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -42.277 40.537 -1.514 1.00 0.00 H new ATOM 728 N LYS A 47 -40.536 43.839 2.059 1.00 0.00 N ATOM 729 CA LYS A 47 -40.741 44.616 3.276 1.00 0.00 C ATOM 730 C LYS A 47 -39.869 45.868 3.275 1.00 0.00 C ATOM 731 O LYS A 47 -40.329 46.956 3.622 1.00 0.00 O ATOM 732 CB LYS A 47 -40.427 43.764 4.508 1.00 0.00 C ATOM 733 CG LYS A 47 -39.029 43.171 4.497 1.00 0.00 C ATOM 734 CD LYS A 47 -39.010 41.778 5.104 1.00 0.00 C ATOM 735 CE LYS A 47 -38.254 41.755 6.423 1.00 0.00 C ATOM 736 NZ LYS A 47 -38.290 40.409 7.060 1.00 0.00 N ATOM 0 H LYS A 47 -40.038 42.960 2.199 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.786 44.922 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.546 44.376 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -41.155 42.956 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -38.659 43.128 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -38.353 43.820 5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -40.032 41.436 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -38.546 41.082 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -37.218 42.049 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -38.686 42.490 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -37.764 40.435 7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -39.277 40.139 7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -37.854 39.712 6.423 1.00 0.00 H new