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 -22:sc= 0.561 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= -0.0539 (180deg=-0.274) USER MOD Single : A 24 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.96) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -13.586 -3.357 -5.617 1.00 0.00 N ATOM 126 CA ASP A 9 -14.574 -2.698 -4.771 1.00 0.00 C ATOM 127 C ASP A 9 -14.119 -1.291 -4.398 1.00 0.00 C ATOM 128 O ASP A 9 -14.939 -0.404 -4.161 1.00 0.00 O ATOM 129 CB ASP A 9 -14.821 -3.520 -3.505 1.00 0.00 C ATOM 130 CG ASP A 9 -15.893 -4.575 -3.699 1.00 0.00 C ATOM 131 OD1 ASP A 9 -17.049 -4.199 -3.985 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.576 -5.775 -3.563 1.00 0.00 O ATOM 0 HA ASP A 9 -15.505 -2.622 -5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.892 -4.002 -3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.114 -2.853 -2.694 1.00 0.00 H new ATOM 137 N LYS A 10 -12.806 -1.094 -4.347 1.00 0.00 N ATOM 138 CA LYS A 10 -12.240 0.206 -4.003 1.00 0.00 C ATOM 139 C LYS A 10 -12.328 1.167 -5.184 1.00 0.00 C ATOM 140 O LYS A 10 -12.814 2.290 -5.047 1.00 0.00 O ATOM 141 CB LYS A 10 -10.781 0.050 -3.566 1.00 0.00 C ATOM 142 CG LYS A 10 -10.569 0.243 -2.075 1.00 0.00 C ATOM 143 CD LYS A 10 -9.584 -0.769 -1.516 1.00 0.00 C ATOM 144 CE LYS A 10 -8.178 -0.529 -2.044 1.00 0.00 C ATOM 145 NZ LYS A 10 -7.266 -0.020 -0.981 1.00 0.00 N ATOM 0 H LYS A 10 -12.113 -1.818 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.818 0.620 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.430 -0.942 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.169 0.771 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.202 1.252 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.523 0.149 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.580 -0.711 -0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.906 -1.776 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.779 -1.458 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.215 0.188 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.318 0.131 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.633 0.880 -0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.210 -0.715 -0.209 1.00 0.00 H new ATOM 159 N ILE A 11 -11.856 0.719 -6.343 1.00 0.00 N ATOM 160 CA ILE A 11 -11.884 1.539 -7.547 1.00 0.00 C ATOM 161 C ILE A 11 -13.316 1.796 -8.004 1.00 0.00 C ATOM 162 O ILE A 11 -13.645 2.886 -8.472 1.00 0.00 O ATOM 163 CB ILE A 11 -11.102 0.878 -8.697 1.00 0.00 C ATOM 164 CG1 ILE A 11 -11.648 -0.524 -8.975 1.00 0.00 C ATOM 165 CG2 ILE A 11 -9.619 0.818 -8.362 1.00 0.00 C ATOM 166 CD1 ILE A 11 -12.760 -0.547 -10.000 1.00 0.00 C ATOM 0 H ILE A 11 -11.450 -0.208 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.410 2.487 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.228 1.481 -9.596 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.833 -1.161 -9.320 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.015 -0.954 -8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.079 0.348 -9.184 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.239 1.828 -8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.475 0.234 -7.453 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -13.098 -1.573 -10.147 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.592 0.063 -9.648 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.392 -0.148 -10.945 1.00 0.00 H new ATOM 178 N LYS A 12 -14.167 0.784 -7.863 1.00 0.00 N ATOM 179 CA LYS A 12 -15.566 0.899 -8.257 1.00 0.00 C ATOM 180 C LYS A 12 -16.328 1.807 -7.298 1.00 0.00 C ATOM 181 O LYS A 12 -17.322 2.428 -7.674 1.00 0.00 O ATOM 182 CB LYS A 12 -16.221 -0.483 -8.298 1.00 0.00 C ATOM 183 CG LYS A 12 -17.724 -0.437 -8.513 1.00 0.00 C ATOM 184 CD LYS A 12 -18.479 -0.616 -7.207 1.00 0.00 C ATOM 185 CE LYS A 12 -19.424 0.547 -6.945 1.00 0.00 C ATOM 186 NZ LYS A 12 -20.696 0.098 -6.316 1.00 0.00 N ATOM 0 H LYS A 12 -13.911 -0.125 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.602 1.340 -9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.766 -1.068 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.012 -1.003 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.999 0.516 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -18.016 -1.219 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -19.046 -1.547 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.769 -0.702 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.935 1.273 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.643 1.055 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.312 0.920 -6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.176 -0.576 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.490 -0.365 -5.408 1.00 0.00 H new ATOM 200 N SER A 13 -15.855 1.881 -6.058 1.00 0.00 N ATOM 201 CA SER A 13 -16.495 2.711 -5.044 1.00 0.00 C ATOM 202 C SER A 13 -15.891 4.112 -5.029 1.00 0.00 C ATOM 203 O SER A 13 -16.535 5.075 -4.612 1.00 0.00 O ATOM 204 CB SER A 13 -16.352 2.068 -3.663 1.00 0.00 C ATOM 205 OG SER A 13 -15.002 2.079 -3.232 1.00 0.00 O ATOM 0 H SER A 13 -15.031 1.376 -5.731 1.00 0.00 H new ATOM 0 HA SER A 13 -17.553 2.792 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.971 2.604 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.718 1.042 -3.697 1.00 0.00 H new ATOM 0 HG SER A 13 -14.411 2.157 -4.010 1.00 0.00 H new ATOM 211 N LYS A 14 -14.648 4.219 -5.488 1.00 0.00 N ATOM 212 CA LYS A 14 -13.955 5.501 -5.530 1.00 0.00 C ATOM 213 C LYS A 14 -14.679 6.481 -6.448 1.00 0.00 C ATOM 214 O LYS A 14 -15.244 7.474 -5.988 1.00 0.00 O ATOM 215 CB LYS A 14 -12.514 5.309 -6.006 1.00 0.00 C ATOM 216 CG LYS A 14 -11.542 6.322 -5.427 1.00 0.00 C ATOM 217 CD LYS A 14 -12.015 7.747 -5.662 1.00 0.00 C ATOM 218 CE LYS A 14 -12.110 8.065 -7.146 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.129 9.108 -7.554 1.00 0.00 N ATOM 0 H LYS A 14 -14.100 3.432 -5.836 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.946 5.914 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.182 4.306 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.488 5.374 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.428 6.147 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.560 6.185 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.990 7.890 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.327 8.444 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.936 7.157 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.119 8.404 -7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.226 9.296 -8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.311 9.983 -7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.164 8.775 -7.354 1.00 0.00 H new ATOM 233 N ILE A 15 -14.658 6.195 -7.745 1.00 0.00 N ATOM 234 CA ILE A 15 -15.315 7.050 -8.726 1.00 0.00 C ATOM 235 C ILE A 15 -16.801 7.199 -8.418 1.00 0.00 C ATOM 236 O ILE A 15 -17.366 8.287 -8.539 1.00 0.00 O ATOM 237 CB ILE A 15 -15.151 6.498 -10.154 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.685 6.150 -10.425 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.659 7.506 -11.174 1.00 0.00 C ATOM 240 CD1 ILE A 15 -13.450 4.678 -10.680 1.00 0.00 C ATOM 0 H ILE A 15 -14.193 5.378 -8.141 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.834 8.026 -8.666 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.744 5.588 -10.246 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.338 6.720 -11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -13.082 6.463 -9.573 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.536 7.101 -12.178 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.714 7.708 -10.991 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.091 8.432 -11.084 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.390 4.505 -10.864 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.765 4.103 -9.809 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -14.025 4.363 -11.551 1.00 0.00 H new ATOM 252 N LEU A 16 -17.430 6.099 -8.019 1.00 0.00 N ATOM 253 CA LEU A 16 -18.851 6.107 -7.691 1.00 0.00 C ATOM 254 C LEU A 16 -19.137 7.049 -6.526 1.00 0.00 C ATOM 255 O LEU A 16 -19.909 7.998 -6.657 1.00 0.00 O ATOM 256 CB LEU A 16 -19.323 4.693 -7.346 1.00 0.00 C ATOM 257 CG LEU A 16 -20.835 4.466 -7.367 1.00 0.00 C ATOM 258 CD1 LEU A 16 -21.496 5.167 -6.191 1.00 0.00 C ATOM 259 CD2 LEU A 16 -21.429 4.950 -8.682 1.00 0.00 C ATOM 0 H LEU A 16 -16.978 5.190 -7.915 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.397 6.463 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.862 3.997 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.952 4.440 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 16 -21.024 3.396 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -22.572 4.994 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.092 4.773 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -21.299 6.237 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -22.506 4.780 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -21.230 6.015 -8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.978 4.402 -9.509 1.00 0.00 H new ATOM 271 N ASP A 17 -18.507 6.780 -5.387 1.00 0.00 N ATOM 272 CA ASP A 17 -18.691 7.606 -4.199 1.00 0.00 C ATOM 273 C ASP A 17 -18.224 9.035 -4.453 1.00 0.00 C ATOM 274 O ASP A 17 -18.829 9.992 -3.970 1.00 0.00 O ATOM 275 CB ASP A 17 -17.927 7.010 -3.015 1.00 0.00 C ATOM 276 CG ASP A 17 -18.393 7.570 -1.685 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.477 8.189 -1.648 1.00 0.00 O ATOM 278 OD2 ASP A 17 -17.673 7.388 -0.681 1.00 0.00 O ATOM 0 H ASP A 17 -17.865 5.997 -5.262 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.755 7.627 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.052 5.927 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.862 7.208 -3.136 1.00 0.00 H new ATOM 283 N ASP A 18 -17.143 9.173 -5.213 1.00 0.00 N ATOM 284 CA ASP A 18 -16.594 10.486 -5.532 1.00 0.00 C ATOM 285 C ASP A 18 -17.577 11.296 -6.372 1.00 0.00 C ATOM 286 O ASP A 18 -17.987 12.389 -5.983 1.00 0.00 O ATOM 287 CB ASP A 18 -15.266 10.340 -6.277 1.00 0.00 C ATOM 288 CG ASP A 18 -14.550 11.666 -6.447 1.00 0.00 C ATOM 289 OD1 ASP A 18 -14.548 12.467 -5.489 1.00 0.00 O ATOM 290 OD2 ASP A 18 -13.991 11.901 -7.539 1.00 0.00 O ATOM 0 H ASP A 18 -16.629 8.391 -5.620 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.420 11.017 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.622 9.649 -5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.449 9.901 -7.258 1.00 0.00 H new ATOM 295 N ALA A 19 -17.948 10.753 -7.527 1.00 0.00 N ATOM 296 CA ALA A 19 -18.882 11.424 -8.422 1.00 0.00 C ATOM 297 C ALA A 19 -20.209 11.701 -7.723 1.00 0.00 C ATOM 298 O ALA A 19 -20.834 12.739 -7.941 1.00 0.00 O ATOM 299 CB ALA A 19 -19.107 10.590 -9.674 1.00 0.00 C ATOM 0 H ALA A 19 -17.616 9.850 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.446 12.380 -8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.807 11.104 -10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.158 10.448 -10.192 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.517 9.619 -9.396 1.00 0.00 H new ATOM 305 N LYS A 20 -20.637 10.764 -6.883 1.00 0.00 N ATOM 306 CA LYS A 20 -21.890 10.906 -6.151 1.00 0.00 C ATOM 307 C LYS A 20 -21.830 12.092 -5.194 1.00 0.00 C ATOM 308 O LYS A 20 -22.746 12.912 -5.150 1.00 0.00 O ATOM 309 CB LYS A 20 -22.198 9.624 -5.373 1.00 0.00 C ATOM 310 CG LYS A 20 -22.801 8.523 -6.229 1.00 0.00 C ATOM 311 CD LYS A 20 -24.178 8.908 -6.743 1.00 0.00 C ATOM 312 CE LYS A 20 -25.144 9.178 -5.600 1.00 0.00 C ATOM 313 NZ LYS A 20 -25.215 8.033 -4.651 1.00 0.00 N ATOM 0 H LYS A 20 -20.134 9.897 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 20 -22.686 11.085 -6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.279 9.256 -4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -22.885 9.858 -4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -22.142 8.314 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.873 7.605 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -24.098 9.796 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -24.570 8.108 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -24.831 10.074 -5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -26.137 9.377 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -26.032 8.156 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -25.321 7.146 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -24.342 7.996 -4.086 1.00 0.00 H new ATOM 327 N ALA A 21 -20.745 12.177 -4.431 1.00 0.00 N ATOM 328 CA ALA A 21 -20.565 13.265 -3.478 1.00 0.00 C ATOM 329 C ALA A 21 -20.558 14.617 -4.184 1.00 0.00 C ATOM 330 O ALA A 21 -21.165 15.577 -3.710 1.00 0.00 O ATOM 331 CB ALA A 21 -19.276 13.070 -2.693 1.00 0.00 C ATOM 0 H ALA A 21 -19.978 11.505 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.406 13.251 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.154 13.890 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.320 12.125 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.430 13.055 -3.380 1.00 0.00 H new ATOM 337 N GLU A 22 -19.867 14.685 -5.317 1.00 0.00 N ATOM 338 CA GLU A 22 -19.780 15.921 -6.086 1.00 0.00 C ATOM 339 C GLU A 22 -21.170 16.414 -6.480 1.00 0.00 C ATOM 340 O GLU A 22 -21.468 17.604 -6.383 1.00 0.00 O ATOM 341 CB GLU A 22 -18.928 15.710 -7.338 1.00 0.00 C ATOM 342 CG GLU A 22 -17.906 16.811 -7.572 1.00 0.00 C ATOM 343 CD GLU A 22 -16.728 16.346 -8.405 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.952 15.641 -9.410 1.00 0.00 O ATOM 345 OE2 GLU A 22 -15.580 16.687 -8.050 1.00 0.00 O ATOM 0 H GLU A 22 -19.359 13.899 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.309 16.677 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.409 14.755 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.583 15.644 -8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.390 17.651 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.545 17.176 -6.611 1.00 0.00 H new ATOM 352 N ALA A 23 -22.015 15.491 -6.925 1.00 0.00 N ATOM 353 CA ALA A 23 -23.372 15.830 -7.333 1.00 0.00 C ATOM 354 C ALA A 23 -24.286 15.989 -6.122 1.00 0.00 C ATOM 355 O ALA A 23 -25.341 16.615 -6.206 1.00 0.00 O ATOM 356 CB ALA A 23 -23.922 14.770 -8.275 1.00 0.00 C ATOM 0 H ALA A 23 -21.783 14.501 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.338 16.784 -7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -24.936 15.037 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.290 14.707 -9.161 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -23.934 13.805 -7.769 1.00 0.00 H new ATOM 362 N ASN A 24 -23.873 15.416 -4.996 1.00 0.00 N ATOM 363 CA ASN A 24 -24.655 15.493 -3.768 1.00 0.00 C ATOM 364 C ASN A 24 -24.398 16.809 -3.040 1.00 0.00 C ATOM 365 O ASN A 24 -25.199 17.239 -2.210 1.00 0.00 O ATOM 366 CB ASN A 24 -24.318 14.316 -2.849 1.00 0.00 C ATOM 367 CG ASN A 24 -25.206 13.113 -3.102 1.00 0.00 C ATOM 368 OD1 ASN A 24 -26.400 13.254 -3.369 1.00 0.00 O ATOM 369 ND2 ASN A 24 -24.627 11.921 -3.017 1.00 0.00 N ATOM 0 H ASN A 24 -23.001 14.893 -4.909 1.00 0.00 H new ATOM 0 HA ASN A 24 -25.710 15.446 -4.036 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.276 14.032 -2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.421 14.629 -1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.175 11.075 -3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -23.634 11.851 -2.793 1.00 0.00 H new ATOM 376 N LYS A 25 -23.276 17.445 -3.359 1.00 0.00 N ATOM 377 CA LYS A 25 -22.913 18.714 -2.738 1.00 0.00 C ATOM 378 C LYS A 25 -23.470 19.889 -3.536 1.00 0.00 C ATOM 379 O LYS A 25 -23.922 20.881 -2.963 1.00 0.00 O ATOM 380 CB LYS A 25 -21.391 18.835 -2.629 1.00 0.00 C ATOM 381 CG LYS A 25 -20.905 19.144 -1.224 1.00 0.00 C ATOM 382 CD LYS A 25 -21.287 18.046 -0.247 1.00 0.00 C ATOM 383 CE LYS A 25 -20.435 18.098 1.012 1.00 0.00 C ATOM 384 NZ LYS A 25 -19.322 17.110 0.970 1.00 0.00 N ATOM 0 H LYS A 25 -22.602 17.103 -4.044 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.346 18.738 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.936 17.903 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.048 19.619 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.822 19.265 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.329 20.091 -0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.339 18.145 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.170 17.074 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.026 19.101 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.061 17.903 1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -18.765 17.177 1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -19.713 16.150 0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.710 17.312 0.154 1.00 0.00 H new ATOM 398 N ILE A 26 -23.438 19.769 -4.858 1.00 0.00 N ATOM 399 CA ILE A 26 -23.943 20.820 -5.733 1.00 0.00 C ATOM 400 C ILE A 26 -25.455 20.966 -5.600 1.00 0.00 C ATOM 401 O ILE A 26 -25.997 22.063 -5.742 1.00 0.00 O ATOM 402 CB ILE A 26 -23.592 20.542 -7.207 1.00 0.00 C ATOM 403 CG1 ILE A 26 -24.301 19.276 -7.692 1.00 0.00 C ATOM 404 CG2 ILE A 26 -22.086 20.412 -7.378 1.00 0.00 C ATOM 405 CD1 ILE A 26 -25.537 19.554 -8.519 1.00 0.00 C ATOM 0 H ILE A 26 -23.068 18.954 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 26 -23.462 21.748 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.934 21.382 -7.812 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.604 18.683 -8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.580 18.672 -6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -21.854 20.216 -8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -21.603 21.338 -7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -21.720 19.589 -6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -25.988 18.611 -8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -26.253 20.120 -7.924 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.262 20.131 -9.402 1.00 0.00 H new ATOM 417 N ILE A 27 -26.129 19.855 -5.326 1.00 0.00 N ATOM 418 CA ILE A 27 -27.579 19.860 -5.171 1.00 0.00 C ATOM 419 C ILE A 27 -27.987 20.477 -3.837 1.00 0.00 C ATOM 420 O ILE A 27 -29.036 21.111 -3.730 1.00 0.00 O ATOM 421 CB ILE A 27 -28.160 18.438 -5.265 1.00 0.00 C ATOM 422 CG1 ILE A 27 -27.483 17.518 -4.247 1.00 0.00 C ATOM 423 CG2 ILE A 27 -27.995 17.890 -6.675 1.00 0.00 C ATOM 424 CD1 ILE A 27 -28.402 17.067 -3.134 1.00 0.00 C ATOM 0 H ILE A 27 -25.695 18.940 -5.207 1.00 0.00 H new ATOM 0 HA ILE A 27 -27.981 20.462 -5.986 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.225 18.481 -5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.095 16.641 -4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -26.628 18.037 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.411 16.884 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.520 18.535 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -26.936 17.858 -6.931 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -27.854 16.418 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -28.770 17.937 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -29.244 16.520 -3.557 1.00 0.00 H new ATOM 436 N SER A 28 -27.149 20.288 -2.823 1.00 0.00 N ATOM 437 CA SER A 28 -27.423 20.824 -1.495 1.00 0.00 C ATOM 438 C SER A 28 -26.999 22.287 -1.402 1.00 0.00 C ATOM 439 O SER A 28 -27.774 23.142 -0.974 1.00 0.00 O ATOM 440 CB SER A 28 -26.695 20.002 -0.430 1.00 0.00 C ATOM 441 OG SER A 28 -27.575 19.086 0.197 1.00 0.00 O ATOM 0 H SER A 28 -26.275 19.768 -2.896 1.00 0.00 H new ATOM 0 HA SER A 28 -28.497 20.763 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 28 -25.867 19.461 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 28 -26.266 20.669 0.318 1.00 0.00 H new ATOM 0 HG SER A 28 -27.085 18.572 0.872 1.00 0.00 H new ATOM 447 N GLU A 29 -25.764 22.566 -1.807 1.00 0.00 N ATOM 448 CA GLU A 29 -25.237 23.925 -1.768 1.00 0.00 C ATOM 449 C GLU A 29 -26.076 24.859 -2.636 1.00 0.00 C ATOM 450 O GLU A 29 -26.083 26.073 -2.433 1.00 0.00 O ATOM 451 CB GLU A 29 -23.781 23.945 -2.239 1.00 0.00 C ATOM 452 CG GLU A 29 -22.799 23.432 -1.200 1.00 0.00 C ATOM 453 CD GLU A 29 -21.739 24.456 -0.844 1.00 0.00 C ATOM 454 OE1 GLU A 29 -22.057 25.664 -0.846 1.00 0.00 O ATOM 455 OE2 GLU A 29 -20.592 24.051 -0.563 1.00 0.00 O ATOM 0 H GLU A 29 -25.110 21.870 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 29 -25.283 24.276 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -23.691 23.340 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -23.510 24.965 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -23.344 23.150 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.316 22.530 -1.576 1.00 0.00 H new ATOM 462 N ALA A 30 -26.782 24.283 -3.604 1.00 0.00 N ATOM 463 CA ALA A 30 -27.626 25.062 -4.501 1.00 0.00 C ATOM 464 C ALA A 30 -29.005 25.296 -3.894 1.00 0.00 C ATOM 465 O ALA A 30 -29.372 26.429 -3.584 1.00 0.00 O ATOM 466 CB ALA A 30 -27.751 24.363 -5.847 1.00 0.00 C ATOM 0 H ALA A 30 -26.786 23.279 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.155 26.034 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.384 24.956 -6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -26.763 24.254 -6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.196 23.378 -5.706 1.00 0.00 H new ATOM 472 N GLU A 31 -29.763 24.217 -3.727 1.00 0.00 N ATOM 473 CA GLU A 31 -31.103 24.306 -3.157 1.00 0.00 C ATOM 474 C GLU A 31 -31.086 25.088 -1.847 1.00 0.00 C ATOM 475 O GLU A 31 -32.062 25.749 -1.493 1.00 0.00 O ATOM 476 CB GLU A 31 -31.675 22.907 -2.921 1.00 0.00 C ATOM 477 CG GLU A 31 -31.072 22.197 -1.721 1.00 0.00 C ATOM 478 CD GLU A 31 -31.473 20.736 -1.646 1.00 0.00 C ATOM 479 OE1 GLU A 31 -32.277 20.297 -2.493 1.00 0.00 O ATOM 480 OE2 GLU A 31 -30.980 20.033 -0.739 1.00 0.00 O ATOM 0 H GLU A 31 -29.473 23.272 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 31 -31.738 24.835 -3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -32.754 22.983 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -31.510 22.301 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -29.985 22.270 -1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -31.386 22.703 -0.808 1.00 0.00 H new ATOM 487 N ALA A 32 -29.969 25.008 -1.131 1.00 0.00 N ATOM 488 CA ALA A 32 -29.823 25.708 0.139 1.00 0.00 C ATOM 489 C ALA A 32 -29.810 27.219 -0.066 1.00 0.00 C ATOM 490 O ALA A 32 -30.767 27.910 0.284 1.00 0.00 O ATOM 491 CB ALA A 32 -28.554 25.259 0.847 1.00 0.00 C ATOM 0 H ALA A 32 -29.152 24.465 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 32 -30.681 25.459 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -28.458 25.790 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -28.603 24.187 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -27.690 25.478 0.219 1.00 0.00 H new ATOM 497 N GLU A 33 -28.720 27.725 -0.634 1.00 0.00 N ATOM 498 CA GLU A 33 -28.584 29.156 -0.883 1.00 0.00 C ATOM 499 C GLU A 33 -29.778 29.687 -1.670 1.00 0.00 C ATOM 500 O GLU A 33 -30.287 30.773 -1.391 1.00 0.00 O ATOM 501 CB GLU A 33 -27.288 29.442 -1.646 1.00 0.00 C ATOM 502 CG GLU A 33 -27.205 28.736 -2.989 1.00 0.00 C ATOM 503 CD GLU A 33 -25.784 28.639 -3.509 1.00 0.00 C ATOM 504 OE1 GLU A 33 -24.865 29.137 -2.825 1.00 0.00 O ATOM 505 OE2 GLU A 33 -25.590 28.063 -4.601 1.00 0.00 O ATOM 0 H GLU A 33 -27.919 27.167 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 33 -28.550 29.665 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.199 30.517 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -26.440 29.138 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.623 27.734 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -27.818 29.270 -3.715 1.00 0.00 H new ATOM 512 N LYS A 34 -30.221 28.914 -2.656 1.00 0.00 N ATOM 513 CA LYS A 34 -31.355 29.305 -3.484 1.00 0.00 C ATOM 514 C LYS A 34 -32.599 29.535 -2.631 1.00 0.00 C ATOM 515 O LYS A 34 -33.130 30.644 -2.579 1.00 0.00 O ATOM 516 CB LYS A 34 -31.638 28.231 -4.537 1.00 0.00 C ATOM 517 CG LYS A 34 -32.946 28.438 -5.281 1.00 0.00 C ATOM 518 CD LYS A 34 -33.248 27.276 -6.213 1.00 0.00 C ATOM 519 CE LYS A 34 -34.222 27.679 -7.309 1.00 0.00 C ATOM 520 NZ LYS A 34 -35.508 26.935 -7.210 1.00 0.00 N ATOM 0 H LYS A 34 -29.811 28.013 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.102 30.239 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.819 28.215 -5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.656 27.255 -4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -33.759 28.551 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -32.896 29.363 -5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -32.321 26.918 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -33.665 26.448 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -34.416 28.750 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -33.769 27.494 -8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -36.144 27.238 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -35.326 25.915 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -35.953 27.132 -6.291 1.00 0.00 H new ATOM 534 N ALA A 35 -33.055 28.481 -1.962 1.00 0.00 N ATOM 535 CA ALA A 35 -34.233 28.571 -1.108 1.00 0.00 C ATOM 536 C ALA A 35 -34.043 29.620 -0.018 1.00 0.00 C ATOM 537 O ALA A 35 -35.008 30.072 0.598 1.00 0.00 O ATOM 538 CB ALA A 35 -34.541 27.215 -0.490 1.00 0.00 C ATOM 0 H ALA A 35 -32.627 27.556 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.077 28.877 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -35.423 27.297 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -34.729 26.489 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -33.692 26.887 0.109 1.00 0.00 H new ATOM 544 N LYS A 36 -32.793 30.003 0.216 1.00 0.00 N ATOM 545 CA LYS A 36 -32.475 31.000 1.231 1.00 0.00 C ATOM 546 C LYS A 36 -32.665 32.412 0.686 1.00 0.00 C ATOM 547 O LYS A 36 -33.378 33.224 1.276 1.00 0.00 O ATOM 548 CB LYS A 36 -31.036 30.820 1.720 1.00 0.00 C ATOM 549 CG LYS A 36 -30.914 29.910 2.930 1.00 0.00 C ATOM 550 CD LYS A 36 -29.488 29.419 3.117 1.00 0.00 C ATOM 551 CE LYS A 36 -28.560 30.551 3.533 1.00 0.00 C ATOM 552 NZ LYS A 36 -27.132 30.224 3.263 1.00 0.00 N ATOM 0 H LYS A 36 -31.983 29.638 -0.284 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.157 30.858 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -30.433 30.413 0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.620 31.797 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -31.235 30.446 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.581 29.056 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -29.468 28.634 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -29.130 28.976 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -28.832 31.460 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.691 30.757 4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -26.532 31.020 3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -26.865 29.371 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -27.001 30.053 2.246 1.00 0.00 H new ATOM 566 N ILE A 37 -32.024 32.697 -0.443 1.00 0.00 N ATOM 567 CA ILE A 37 -32.125 34.010 -1.068 1.00 0.00 C ATOM 568 C ILE A 37 -33.499 34.216 -1.694 1.00 0.00 C ATOM 569 O ILE A 37 -33.994 35.341 -1.776 1.00 0.00 O ATOM 570 CB ILE A 37 -31.045 34.203 -2.149 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.095 33.056 -3.161 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.667 34.294 -1.512 1.00 0.00 C ATOM 573 CD1 ILE A 37 -31.017 33.516 -4.600 1.00 0.00 C ATOM 0 H ILE A 37 -31.429 32.036 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.974 34.748 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 37 -31.242 35.137 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.271 32.371 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -32.018 32.495 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.915 34.430 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.638 35.141 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.459 33.376 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -31.058 32.651 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -31.856 34.178 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -30.081 34.051 -4.761 1.00 0.00 H new ATOM 585 N LEU A 38 -34.112 33.123 -2.135 1.00 0.00 N ATOM 586 CA LEU A 38 -35.432 33.183 -2.753 1.00 0.00 C ATOM 587 C LEU A 38 -36.489 33.614 -1.741 1.00 0.00 C ATOM 588 O LEU A 38 -37.416 34.351 -2.075 1.00 0.00 O ATOM 589 CB LEU A 38 -35.802 31.821 -3.345 1.00 0.00 C ATOM 590 CG LEU A 38 -35.461 31.616 -4.821 1.00 0.00 C ATOM 591 CD1 LEU A 38 -36.258 32.575 -5.692 1.00 0.00 C ATOM 592 CD2 LEU A 38 -33.968 31.796 -5.053 1.00 0.00 C ATOM 0 H LEU A 38 -33.716 32.185 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.398 33.923 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.299 31.047 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.874 31.670 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.731 30.597 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -36.002 32.414 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -37.324 32.397 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -36.021 33.602 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.743 31.646 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.673 32.803 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.417 31.068 -4.458 1.00 0.00 H new ATOM 604 N GLU A 39 -36.339 33.152 -0.504 1.00 0.00 N ATOM 605 CA GLU A 39 -37.281 33.492 0.557 1.00 0.00 C ATOM 606 C GLU A 39 -36.832 34.747 1.300 1.00 0.00 C ATOM 607 O GLU A 39 -37.654 35.496 1.829 1.00 0.00 O ATOM 608 CB GLU A 39 -37.420 32.326 1.539 1.00 0.00 C ATOM 609 CG GLU A 39 -38.667 31.488 1.316 1.00 0.00 C ATOM 610 CD GLU A 39 -38.899 30.481 2.425 1.00 0.00 C ATOM 611 OE1 GLU A 39 -38.317 29.378 2.358 1.00 0.00 O ATOM 612 OE2 GLU A 39 -39.663 30.796 3.362 1.00 0.00 O ATOM 0 H GLU A 39 -35.576 32.542 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.250 33.689 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -36.542 31.685 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.433 32.718 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -39.533 32.145 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -38.582 30.962 0.365 1.00 0.00 H new ATOM 619 N LYS A 40 -35.523 34.970 1.337 1.00 0.00 N ATOM 620 CA LYS A 40 -34.963 36.133 2.014 1.00 0.00 C ATOM 621 C LYS A 40 -35.146 37.392 1.173 1.00 0.00 C ATOM 622 O LYS A 40 -35.571 38.431 1.677 1.00 0.00 O ATOM 623 CB LYS A 40 -33.477 35.913 2.305 1.00 0.00 C ATOM 624 CG LYS A 40 -32.857 37.006 3.159 1.00 0.00 C ATOM 625 CD LYS A 40 -32.113 36.427 4.351 1.00 0.00 C ATOM 626 CE LYS A 40 -30.714 35.971 3.968 1.00 0.00 C ATOM 627 NZ LYS A 40 -30.632 34.492 3.823 1.00 0.00 N ATOM 0 H LYS A 40 -34.829 34.359 0.905 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.496 36.265 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.352 34.955 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.936 35.850 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.171 37.598 2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.637 37.682 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -32.049 37.176 5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -32.673 35.584 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -30.422 36.444 3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -30.004 36.301 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -29.662 34.222 3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -30.886 34.040 4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -31.290 34.179 3.081 1.00 0.00 H new ATOM 641 N ALA A 41 -34.824 37.292 -0.113 1.00 0.00 N ATOM 642 CA ALA A 41 -34.956 38.422 -1.024 1.00 0.00 C ATOM 643 C ALA A 41 -36.421 38.779 -1.246 1.00 0.00 C ATOM 644 O ALA A 41 -36.830 39.923 -1.044 1.00 0.00 O ATOM 645 CB ALA A 41 -34.279 38.111 -2.351 1.00 0.00 C ATOM 0 H ALA A 41 -34.470 36.440 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 41 -34.464 39.283 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -34.385 38.963 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -33.221 37.912 -2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.746 37.235 -2.801 1.00 0.00 H new ATOM 651 N LYS A 42 -37.209 37.794 -1.664 1.00 0.00 N ATOM 652 CA LYS A 42 -38.630 38.004 -1.914 1.00 0.00 C ATOM 653 C LYS A 42 -39.318 38.591 -0.685 1.00 0.00 C ATOM 654 O LYS A 42 -40.297 39.327 -0.804 1.00 0.00 O ATOM 655 CB LYS A 42 -39.300 36.684 -2.304 1.00 0.00 C ATOM 656 CG LYS A 42 -38.933 36.204 -3.698 1.00 0.00 C ATOM 657 CD LYS A 42 -39.705 36.957 -4.768 1.00 0.00 C ATOM 658 CE LYS A 42 -38.842 37.227 -5.992 1.00 0.00 C ATOM 659 NZ LYS A 42 -39.262 38.466 -6.703 1.00 0.00 N ATOM 0 H LYS A 42 -36.887 36.842 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 42 -38.728 38.712 -2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -39.023 35.918 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -40.382 36.803 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -37.863 36.336 -3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -39.139 35.137 -3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -40.582 36.379 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -40.066 37.901 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -37.799 37.318 -5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -38.903 36.379 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -38.650 38.616 -7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -40.249 38.369 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -39.180 39.280 -6.060 1.00 0.00 H new ATOM 673 N GLU A 43 -38.797 38.262 0.493 1.00 0.00 N ATOM 674 CA GLU A 43 -39.361 38.758 1.742 1.00 0.00 C ATOM 675 C GLU A 43 -38.832 40.153 2.062 1.00 0.00 C ATOM 676 O GLU A 43 -39.593 41.118 2.125 1.00 0.00 O ATOM 677 CB GLU A 43 -39.035 37.801 2.891 1.00 0.00 C ATOM 678 CG GLU A 43 -39.630 38.225 4.223 1.00 0.00 C ATOM 679 CD GLU A 43 -38.571 38.494 5.275 1.00 0.00 C ATOM 680 OE1 GLU A 43 -37.600 39.217 4.967 1.00 0.00 O ATOM 681 OE2 GLU A 43 -38.713 37.983 6.405 1.00 0.00 O ATOM 0 H GLU A 43 -37.986 37.654 0.608 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.443 38.817 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.402 36.806 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.952 37.725 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -40.231 39.123 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.303 37.446 4.581 1.00 0.00 H new ATOM 688 N GLU A 44 -37.521 40.250 2.264 1.00 0.00 N ATOM 689 CA GLU A 44 -36.890 41.527 2.579 1.00 0.00 C ATOM 690 C GLU A 44 -37.292 42.596 1.568 1.00 0.00 C ATOM 691 O GLU A 44 -37.476 43.761 1.921 1.00 0.00 O ATOM 692 CB GLU A 44 -35.367 41.376 2.601 1.00 0.00 C ATOM 693 CG GLU A 44 -34.757 41.164 1.226 1.00 0.00 C ATOM 694 CD GLU A 44 -33.378 40.536 1.291 1.00 0.00 C ATOM 695 OE1 GLU A 44 -33.056 39.919 2.328 1.00 0.00 O ATOM 696 OE2 GLU A 44 -32.622 40.661 0.305 1.00 0.00 O ATOM 0 H GLU A 44 -36.876 39.461 2.215 1.00 0.00 H new ATOM 0 HA GLU A 44 -37.231 41.839 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.928 42.267 3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -35.103 40.534 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -35.415 40.527 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -34.692 42.122 0.710 1.00 0.00 H new ATOM 703 N ALA A 45 -37.425 42.192 0.309 1.00 0.00 N ATOM 704 CA ALA A 45 -37.805 43.114 -0.754 1.00 0.00 C ATOM 705 C ALA A 45 -39.179 43.720 -0.488 1.00 0.00 C ATOM 706 O ALA A 45 -39.297 44.911 -0.200 1.00 0.00 O ATOM 707 CB ALA A 45 -37.790 42.405 -2.099 1.00 0.00 C ATOM 0 H ALA A 45 -37.275 41.232 0.000 1.00 0.00 H new ATOM 0 HA ALA A 45 -37.077 43.925 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -38.076 43.106 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -36.788 42.026 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -38.495 41.574 -2.080 1.00 0.00 H new ATOM 713 N GLU A 46 -40.215 42.893 -0.589 1.00 0.00 N ATOM 714 CA GLU A 46 -41.581 43.350 -0.361 1.00 0.00 C ATOM 715 C GLU A 46 -41.697 44.072 0.978 1.00 0.00 C ATOM 716 O GLU A 46 -42.235 45.177 1.056 1.00 0.00 O ATOM 717 CB GLU A 46 -42.551 42.167 -0.401 1.00 0.00 C ATOM 718 CG GLU A 46 -43.192 41.951 -1.761 1.00 0.00 C ATOM 719 CD GLU A 46 -44.145 43.068 -2.141 1.00 0.00 C ATOM 720 OE1 GLU A 46 -44.937 43.492 -1.274 1.00 0.00 O ATOM 721 OE2 GLU A 46 -44.099 43.517 -3.305 1.00 0.00 O ATOM 0 H GLU A 46 -40.135 41.904 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 46 -41.840 44.050 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -42.018 41.261 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -43.335 42.326 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -42.412 41.871 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -43.731 41.004 -1.758 1.00 0.00 H new ATOM 728 N LYS A 47 -41.190 43.439 2.030 1.00 0.00 N ATOM 729 CA LYS A 47 -41.234 44.020 3.367 1.00 0.00 C ATOM 730 C LYS A 47 -40.608 45.411 3.378 1.00 0.00 C ATOM 731 O LYS A 47 -41.230 46.378 3.817 1.00 0.00 O ATOM 732 CB LYS A 47 -40.507 43.114 4.363 1.00 0.00 C ATOM 733 CG LYS A 47 -40.985 43.277 5.796 1.00 0.00 C ATOM 734 CD LYS A 47 -42.433 42.845 5.953 1.00 0.00 C ATOM 735 CE LYS A 47 -43.368 44.043 6.023 1.00 0.00 C ATOM 736 NZ LYS A 47 -43.542 44.530 7.419 1.00 0.00 N ATOM 0 H LYS A 47 -40.744 42.523 1.983 1.00 0.00 H new ATOM 0 HA LYS A 47 -42.279 44.110 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.640 42.075 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -39.438 43.324 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -40.354 42.687 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.880 44.319 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -42.717 42.209 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -42.539 42.246 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -42.973 44.849 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -44.339 43.770 5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -44.186 45.347 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.943 43.770 8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -42.619 44.814 7.805 1.00 0.00 H new