USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 595 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.52! C(o=-3.5!,f=-7.8!) USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= 0.803 (180deg=0.381) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0026 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc=-0.000758 (180deg=-0.000758) USER MOD Single : A 37 THR OG1 : rot 120:sc= -1.96! USER MOD Single : A 40 SER OG : rot -63:sc= 1.06 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-6.5!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 156:sc= -8.85! (180deg=-9.71!) USER MOD Single : A 55 THR OG1 : rot -27:sc= -2.12! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0989 X(o=-0.099,f=-0.26) USER MOD Single : A 67 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 73 ASN : amide:sc= -1.92! C(o=-1.9!,f=-2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.377 -11.026 -0.407 1.00 16.66 N ATOM 86 CA ASP A 7 -2.007 -12.375 -0.357 1.00 16.66 C ATOM 87 C ASP A 7 -2.960 -12.448 0.835 1.00 16.66 C ATOM 88 O ASP A 7 -4.130 -12.746 0.693 1.00 16.66 O ATOM 89 CB ASP A 7 -0.918 -13.440 -0.207 1.00 16.66 C ATOM 90 CG ASP A 7 -0.213 -13.641 -1.550 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.826 -13.358 -2.566 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.927 -14.073 -1.539 1.00 50.00 O ATOM 0 HA ASP A 7 -2.564 -12.551 -1.277 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.198 -13.135 0.552 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.357 -14.379 0.130 1.00 16.66 H new ATOM 97 N LYS A 8 -2.467 -12.179 2.010 1.00 16.66 N ATOM 98 CA LYS A 8 -3.339 -12.231 3.217 1.00 16.66 C ATOM 99 C LYS A 8 -4.677 -11.559 2.913 1.00 16.66 C ATOM 100 O LYS A 8 -5.719 -11.996 3.358 1.00 16.66 O ATOM 101 CB LYS A 8 -2.654 -11.503 4.372 1.00 16.66 C ATOM 102 CG LYS A 8 -1.774 -12.489 5.141 1.00 16.66 C ATOM 103 CD LYS A 8 -1.546 -11.971 6.562 1.00 16.66 C ATOM 104 CE LYS A 8 -0.472 -12.818 7.247 1.00 50.00 C ATOM 105 NZ LYS A 8 0.652 -11.940 7.680 1.00 50.00 N ATOM 0 H LYS A 8 -1.495 -11.925 2.188 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.512 -13.271 3.494 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.050 -10.680 3.991 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.401 -11.069 5.037 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.250 -13.469 5.172 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.819 -12.614 4.631 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.237 -10.926 6.534 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.475 -12.014 7.130 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.896 -13.335 8.108 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.107 -13.584 6.563 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.382 -12.515 8.146 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 1.062 -11.466 6.850 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.297 -11.225 8.347 1.00 50.00 H new ATOM 119 N ALA A 9 -4.656 -10.500 2.154 1.00 16.66 N ATOM 120 CA ALA A 9 -5.929 -9.804 1.819 1.00 16.66 C ATOM 121 C ALA A 9 -6.842 -10.774 1.076 1.00 16.66 C ATOM 122 O ALA A 9 -8.013 -10.895 1.373 1.00 16.66 O ATOM 123 CB ALA A 9 -5.637 -8.592 0.934 1.00 16.66 C ATOM 0 H ALA A 9 -3.815 -10.087 1.752 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.416 -9.466 2.734 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.571 -8.085 0.691 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -4.979 -7.904 1.465 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.153 -8.921 0.014 1.00 16.66 H new ATOM 129 N GLU A 10 -6.308 -11.475 0.119 1.00 16.66 N ATOM 130 CA GLU A 10 -7.139 -12.448 -0.642 1.00 16.66 C ATOM 131 C GLU A 10 -7.508 -13.612 0.277 1.00 16.66 C ATOM 132 O GLU A 10 -8.591 -14.156 0.206 1.00 16.66 O ATOM 133 CB GLU A 10 -6.347 -12.972 -1.842 1.00 16.66 C ATOM 134 CG GLU A 10 -5.876 -11.793 -2.695 1.00 16.66 C ATOM 135 CD GLU A 10 -5.206 -12.319 -3.966 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.954 -13.510 -4.029 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.956 -11.521 -4.854 1.00 16.66 O ATOM 0 H GLU A 10 -5.332 -11.417 -0.170 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.045 -11.959 -0.999 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.490 -13.553 -1.500 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.968 -13.641 -2.438 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.722 -11.157 -2.954 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.176 -11.178 -2.130 1.00 16.66 H new ATOM 144 N ARG A 11 -6.615 -13.993 1.146 1.00 16.66 N ATOM 145 CA ARG A 11 -6.910 -15.116 2.078 1.00 16.66 C ATOM 146 C ARG A 11 -7.957 -14.666 3.096 1.00 16.66 C ATOM 147 O ARG A 11 -8.860 -15.401 3.445 1.00 16.66 O ATOM 148 CB ARG A 11 -5.627 -15.513 2.808 1.00 16.66 C ATOM 149 CG ARG A 11 -4.695 -16.239 1.837 1.00 16.66 C ATOM 150 CD ARG A 11 -3.520 -16.845 2.606 1.00 50.00 C ATOM 151 NE ARG A 11 -2.987 -15.833 3.554 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.701 -15.738 3.762 1.00 50.00 C ATOM 153 NH1 ARG A 11 -0.866 -15.893 2.771 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.251 -15.483 4.960 1.00 50.00 N ATOM 0 H ARG A 11 -5.691 -13.574 1.251 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.291 -15.970 1.518 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.134 -14.627 3.209 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.862 -16.158 3.655 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.241 -17.022 1.311 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.328 -15.544 1.082 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.843 -17.734 3.147 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -2.739 -17.160 1.913 1.00 50.00 H new ATOM 0 HE ARG A 11 -3.628 -15.210 4.045 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -1.218 -16.088 1.834 1.00 50.00 H new ATOM 0 HH12 ARG A 11 0.138 -15.819 2.934 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -1.903 -15.358 5.734 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -0.247 -15.409 5.122 1.00 50.00 H new ATOM 168 N GLU A 12 -7.843 -13.458 3.571 1.00 16.66 N ATOM 169 CA GLU A 12 -8.825 -12.946 4.562 1.00 16.66 C ATOM 170 C GLU A 12 -10.193 -12.812 3.898 1.00 16.66 C ATOM 171 O GLU A 12 -11.210 -13.149 4.470 1.00 16.66 O ATOM 172 CB GLU A 12 -8.366 -11.576 5.063 1.00 16.66 C ATOM 173 CG GLU A 12 -7.328 -11.754 6.172 1.00 16.66 C ATOM 174 CD GLU A 12 -7.064 -10.406 6.844 1.00 16.66 C ATOM 175 OE1 GLU A 12 -7.722 -9.445 6.478 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.210 -10.356 7.714 1.00 50.00 O ATOM 0 H GLU A 12 -7.107 -12.801 3.313 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.895 -13.638 5.401 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.939 -11.002 4.241 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.219 -11.010 5.438 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.685 -12.475 6.907 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.402 -12.153 5.758 1.00 16.66 H new ATOM 183 N ARG A 13 -10.225 -12.322 2.691 1.00 16.66 N ATOM 184 CA ARG A 13 -11.527 -12.166 1.986 1.00 16.66 C ATOM 185 C ARG A 13 -12.121 -13.542 1.706 1.00 16.66 C ATOM 186 O ARG A 13 -13.305 -13.762 1.862 1.00 16.66 O ATOM 187 CB ARG A 13 -11.306 -11.424 0.666 1.00 16.66 C ATOM 188 CG ARG A 13 -10.739 -10.035 0.954 1.00 16.66 C ATOM 189 CD ARG A 13 -10.206 -9.423 -0.343 1.00 16.66 C ATOM 190 NE ARG A 13 -11.345 -8.912 -1.156 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.318 -7.694 -1.624 1.00 50.00 C ATOM 192 NH1 ARG A 13 -12.146 -6.798 -1.161 1.00 50.00 N ATOM 193 NH2 ARG A 13 -10.462 -7.372 -2.555 1.00 50.00 N ATOM 0 H ARG A 13 -9.406 -12.023 2.162 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.214 -11.596 2.611 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.620 -11.985 0.031 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.247 -11.339 0.122 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.513 -9.396 1.379 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -9.940 -10.103 1.692 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.514 -8.612 -0.117 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.648 -10.170 -0.908 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.146 -9.514 -1.347 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -12.815 -7.049 -0.433 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -12.124 -5.846 -1.527 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -9.814 -8.072 -2.917 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -10.441 -6.420 -2.921 1.00 50.00 H new ATOM 207 N ILE A 14 -11.308 -14.476 1.304 1.00 16.66 N ATOM 208 CA ILE A 14 -11.826 -15.841 1.024 1.00 16.66 C ATOM 209 C ILE A 14 -12.222 -16.505 2.343 1.00 16.66 C ATOM 210 O ILE A 14 -13.264 -17.124 2.451 1.00 16.66 O ATOM 211 CB ILE A 14 -10.738 -16.667 0.337 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.303 -15.961 -0.948 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.286 -18.054 -0.002 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.915 -16.456 -1.359 1.00 50.00 C ATOM 0 H ILE A 14 -10.306 -14.353 1.157 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.696 -15.780 0.370 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.882 -16.770 1.004 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -11.021 -16.158 -1.744 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.285 -14.882 -0.794 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.510 -18.642 -0.492 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.598 -18.556 0.914 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.141 -17.954 -0.670 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.606 -15.952 -2.275 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.201 -16.237 -0.565 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.948 -17.532 -1.530 1.00 50.00 H new ATOM 226 N PHE A 15 -11.402 -16.379 3.352 1.00 16.66 N ATOM 227 CA PHE A 15 -11.746 -17.000 4.658 1.00 16.66 C ATOM 228 C PHE A 15 -13.004 -16.334 5.213 1.00 16.66 C ATOM 229 O PHE A 15 -13.838 -16.970 5.826 1.00 16.66 O ATOM 230 CB PHE A 15 -10.590 -16.819 5.645 1.00 16.66 C ATOM 231 CG PHE A 15 -10.962 -17.475 6.954 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.679 -18.831 7.160 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.602 -16.735 7.956 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.033 -19.447 8.366 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.958 -17.352 9.164 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.673 -18.709 9.368 1.00 16.66 C ATOM 0 H PHE A 15 -10.515 -15.876 3.327 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.925 -18.066 4.516 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.679 -17.264 5.245 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.387 -15.759 5.798 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.187 -19.402 6.387 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.821 -15.689 7.798 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.812 -20.492 8.523 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.452 -16.782 9.937 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.947 -19.185 10.298 1.00 16.66 H new ATOM 246 N LYS A 16 -13.149 -15.057 4.997 1.00 16.66 N ATOM 247 CA LYS A 16 -14.356 -14.348 5.505 1.00 16.66 C ATOM 248 C LYS A 16 -15.591 -14.869 4.767 1.00 16.66 C ATOM 249 O LYS A 16 -16.679 -14.904 5.306 1.00 16.66 O ATOM 250 CB LYS A 16 -14.209 -12.846 5.261 1.00 50.00 C ATOM 251 CG LYS A 16 -13.331 -12.235 6.356 1.00 50.00 C ATOM 252 CD LYS A 16 -13.295 -10.714 6.191 1.00 50.00 C ATOM 253 CE LYS A 16 -12.280 -10.119 7.169 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.972 -9.174 8.091 1.00 50.00 N ATOM 0 H LYS A 16 -12.484 -14.473 4.490 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.464 -14.528 6.574 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.765 -12.668 4.282 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.189 -12.370 5.258 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.723 -12.496 7.339 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.322 -12.642 6.297 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -13.025 -10.455 5.167 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.284 -10.294 6.376 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.800 -10.914 7.739 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.493 -9.599 6.622 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -12.282 -8.770 8.756 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.410 -8.409 7.539 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.707 -9.683 8.622 1.00 50.00 H new ATOM 268 N ARG A 17 -15.429 -15.281 3.540 1.00 16.66 N ATOM 269 CA ARG A 17 -16.591 -15.807 2.773 1.00 16.66 C ATOM 270 C ARG A 17 -17.020 -17.147 3.370 1.00 16.66 C ATOM 271 O ARG A 17 -18.191 -17.461 3.442 1.00 16.66 O ATOM 272 CB ARG A 17 -16.191 -16.004 1.310 1.00 16.66 C ATOM 273 CG ARG A 17 -16.049 -14.640 0.638 1.00 16.66 C ATOM 274 CD ARG A 17 -15.870 -14.828 -0.870 1.00 50.00 C ATOM 275 NE ARG A 17 -15.557 -13.514 -1.498 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.419 -13.337 -2.112 1.00 50.00 C ATOM 277 NH1 ARG A 17 -13.844 -14.337 -2.723 1.00 50.00 N ATOM 278 NH2 ARG A 17 -13.855 -12.160 -2.115 1.00 50.00 N ATOM 0 H ARG A 17 -14.542 -15.276 3.036 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.418 -15.099 2.828 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.251 -16.552 1.249 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.942 -16.601 0.793 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -16.931 -14.032 0.837 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.194 -14.106 1.052 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.067 -15.538 -1.066 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -16.778 -15.245 -1.306 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.233 -12.752 -1.448 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -14.284 -15.257 -2.721 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -12.955 -14.198 -3.203 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -14.304 -11.378 -1.637 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -12.966 -12.022 -2.595 1.00 50.00 H new ATOM 292 N PHE A 18 -16.076 -17.937 3.803 1.00 16.66 N ATOM 293 CA PHE A 18 -16.426 -19.256 4.400 1.00 16.66 C ATOM 294 C PHE A 18 -17.117 -19.039 5.745 1.00 16.66 C ATOM 295 O PHE A 18 -18.180 -19.570 6.001 1.00 16.66 O ATOM 296 CB PHE A 18 -15.155 -20.079 4.603 1.00 16.66 C ATOM 297 CG PHE A 18 -14.714 -20.659 3.281 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.418 -21.728 2.715 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.600 -20.127 2.620 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.010 -22.266 1.489 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.192 -20.664 1.394 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.896 -21.734 0.828 1.00 16.66 C ATOM 0 H PHE A 18 -15.079 -17.726 3.769 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.099 -19.791 3.730 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.366 -19.452 5.019 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.338 -20.879 5.320 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.277 -22.138 3.225 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.056 -19.302 3.056 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.554 -23.091 1.053 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.333 -20.253 0.884 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.580 -22.149 -0.118 1.00 16.66 H new ATOM 312 N ASP A 19 -16.530 -18.256 6.604 1.00 16.66 N ATOM 313 CA ASP A 19 -17.163 -18.002 7.928 1.00 16.66 C ATOM 314 C ASP A 19 -18.582 -17.473 7.700 1.00 16.66 C ATOM 315 O ASP A 19 -18.777 -16.332 7.330 1.00 16.66 O ATOM 316 CB ASP A 19 -16.335 -16.973 8.703 1.00 16.66 C ATOM 317 CG ASP A 19 -16.609 -17.129 10.194 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.387 -17.999 10.536 1.00 16.66 O ATOM 319 OD2 ASP A 19 -16.033 -16.383 10.968 1.00 16.66 O ATOM 0 H ASP A 19 -15.641 -17.781 6.448 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.206 -18.924 8.507 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.274 -17.115 8.499 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.590 -15.964 8.378 1.00 16.66 H new ATOM 324 N ALA A 20 -19.574 -18.304 7.890 1.00 16.66 N ATOM 325 CA ALA A 20 -20.982 -17.866 7.655 1.00 16.66 C ATOM 326 C ALA A 20 -21.418 -16.816 8.684 1.00 16.66 C ATOM 327 O ALA A 20 -21.922 -15.770 8.329 1.00 16.66 O ATOM 328 CB ALA A 20 -21.908 -19.080 7.753 1.00 50.00 C ATOM 0 H ALA A 20 -19.469 -19.270 8.199 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.041 -17.419 6.663 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.938 -18.767 7.582 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.623 -19.816 7.001 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.823 -19.523 8.745 1.00 50.00 H new ATOM 334 N ASN A 21 -21.245 -17.078 9.953 1.00 16.66 N ATOM 335 CA ASN A 21 -21.676 -16.073 10.967 1.00 16.66 C ATOM 336 C ASN A 21 -20.544 -15.077 11.221 1.00 16.66 C ATOM 337 O ASN A 21 -20.775 -13.936 11.567 1.00 16.66 O ATOM 338 CB ASN A 21 -22.076 -16.776 12.270 1.00 16.66 C ATOM 339 CG ASN A 21 -20.865 -17.451 12.920 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.932 -17.831 12.240 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.871 -17.610 14.214 1.00 16.66 N ATOM 0 H ASN A 21 -20.830 -17.932 10.327 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.542 -15.531 10.588 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.508 -16.052 12.961 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.846 -17.520 12.065 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -20.082 -18.061 14.676 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.665 -17.283 14.764 1.00 16.66 H new ATOM 348 N GLY A 22 -19.323 -15.492 11.033 1.00 16.66 N ATOM 349 CA GLY A 22 -18.183 -14.557 11.246 1.00 16.66 C ATOM 350 C GLY A 22 -17.700 -14.633 12.695 1.00 16.66 C ATOM 351 O GLY A 22 -17.328 -13.638 13.286 1.00 16.66 O ATOM 0 H GLY A 22 -19.065 -16.435 10.742 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.366 -14.808 10.569 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.490 -13.538 11.011 1.00 16.66 H new ATOM 355 N ASP A 23 -17.684 -15.802 13.270 1.00 16.66 N ATOM 356 CA ASP A 23 -17.202 -15.922 14.676 1.00 16.66 C ATOM 357 C ASP A 23 -15.709 -16.263 14.669 1.00 16.66 C ATOM 358 O ASP A 23 -15.111 -16.507 15.698 1.00 16.66 O ATOM 359 CB ASP A 23 -17.992 -17.003 15.425 1.00 16.66 C ATOM 360 CG ASP A 23 -17.822 -18.360 14.740 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.395 -18.381 13.601 1.00 16.66 O ATOM 362 OD2 ASP A 23 -18.133 -19.358 15.370 1.00 16.66 O ATOM 0 H ASP A 23 -17.981 -16.674 12.833 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.355 -14.973 15.190 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.648 -17.064 16.457 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -19.048 -16.734 15.457 1.00 16.66 H new ATOM 367 N GLY A 24 -15.097 -16.263 13.511 1.00 16.66 N ATOM 368 CA GLY A 24 -13.639 -16.564 13.433 1.00 16.66 C ATOM 369 C GLY A 24 -13.415 -18.058 13.184 1.00 16.66 C ATOM 370 O GLY A 24 -12.303 -18.494 12.960 1.00 16.66 O ATOM 0 H GLY A 24 -15.547 -16.067 12.617 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.184 -15.983 12.631 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.150 -16.266 14.360 1.00 16.66 H new ATOM 374 N LYS A 25 -14.449 -18.851 13.231 1.00 16.66 N ATOM 375 CA LYS A 25 -14.267 -20.314 13.006 1.00 16.66 C ATOM 376 C LYS A 25 -15.264 -20.810 11.957 1.00 16.66 C ATOM 377 O LYS A 25 -16.410 -20.393 11.915 1.00 16.66 O ATOM 378 CB LYS A 25 -14.487 -21.068 14.323 1.00 50.00 C ATOM 379 CG LYS A 25 -15.958 -20.981 14.727 1.00 50.00 C ATOM 380 CD LYS A 25 -16.245 -22.020 15.812 1.00 50.00 C ATOM 381 CE LYS A 25 -17.735 -22.367 15.806 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.108 -22.976 17.114 1.00 50.00 N ATOM 0 H LYS A 25 -15.407 -18.553 13.414 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.254 -20.496 12.648 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.192 -22.111 14.210 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.859 -20.643 15.106 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.188 -19.981 15.095 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.596 -21.157 13.861 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.651 -22.917 15.637 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.955 -21.631 16.788 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -18.328 -21.470 15.628 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.955 -23.060 14.994 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.110 -22.783 17.313 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.954 -24.004 17.075 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.520 -22.566 17.868 1.00 50.00 H new ATOM 396 N ILE A 26 -14.830 -21.708 11.113 1.00 16.66 N ATOM 397 CA ILE A 26 -15.733 -22.252 10.063 1.00 16.66 C ATOM 398 C ILE A 26 -16.032 -23.722 10.357 1.00 16.66 C ATOM 399 O ILE A 26 -15.149 -24.501 10.656 1.00 16.66 O ATOM 400 CB ILE A 26 -15.052 -22.138 8.699 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.320 -20.798 8.605 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.107 -22.219 7.595 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.714 -20.653 7.210 1.00 16.66 C ATOM 0 H ILE A 26 -13.884 -22.089 11.108 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.664 -21.685 10.057 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.337 -22.952 8.581 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.011 -19.978 8.801 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.538 -20.744 9.362 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.622 -22.138 6.622 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.630 -23.173 7.661 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.821 -21.404 7.714 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.191 -19.699 7.138 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.011 -21.467 7.032 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.507 -20.689 6.463 1.00 16.66 H new ATOM 415 N SER A 27 -17.274 -24.105 10.267 1.00 16.66 N ATOM 416 CA SER A 27 -17.644 -25.520 10.531 1.00 16.66 C ATOM 417 C SER A 27 -17.955 -26.202 9.202 1.00 16.66 C ATOM 418 O SER A 27 -18.127 -25.552 8.190 1.00 16.66 O ATOM 419 CB SER A 27 -18.884 -25.564 11.427 1.00 50.00 C ATOM 420 OG SER A 27 -20.049 -25.420 10.628 1.00 50.00 O ATOM 0 H SER A 27 -18.053 -23.494 10.020 1.00 16.66 H new ATOM 0 HA SER A 27 -16.821 -26.032 11.029 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.918 -26.507 11.973 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.838 -24.767 12.169 1.00 50.00 H new ATOM 0 HG SER A 27 -20.844 -25.450 11.200 1.00 50.00 H new ATOM 426 N ALA A 28 -18.034 -27.501 9.187 1.00 16.66 N ATOM 427 CA ALA A 28 -18.337 -28.198 7.910 1.00 16.66 C ATOM 428 C ALA A 28 -19.563 -27.549 7.273 1.00 16.66 C ATOM 429 O ALA A 28 -19.590 -27.277 6.089 1.00 16.66 O ATOM 430 CB ALA A 28 -18.618 -29.678 8.182 1.00 50.00 C ATOM 0 H ALA A 28 -17.903 -28.106 9.997 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.485 -28.119 7.235 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.840 -30.185 7.243 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.743 -30.136 8.644 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.472 -29.769 8.854 1.00 50.00 H new ATOM 436 N ALA A 29 -20.578 -27.297 8.049 1.00 16.66 N ATOM 437 CA ALA A 29 -21.802 -26.663 7.489 1.00 16.66 C ATOM 438 C ALA A 29 -21.436 -25.327 6.846 1.00 16.66 C ATOM 439 O ALA A 29 -21.948 -24.967 5.804 1.00 16.66 O ATOM 440 CB ALA A 29 -22.817 -26.431 8.610 1.00 50.00 C ATOM 0 H ALA A 29 -20.613 -27.503 9.047 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.238 -27.320 6.736 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.713 -25.967 8.199 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.080 -27.385 9.066 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.382 -25.776 9.365 1.00 50.00 H new ATOM 446 N GLU A 30 -20.554 -24.584 7.457 1.00 16.66 N ATOM 447 CA GLU A 30 -20.161 -23.274 6.873 1.00 16.66 C ATOM 448 C GLU A 30 -19.248 -23.508 5.670 1.00 16.66 C ATOM 449 O GLU A 30 -19.505 -23.030 4.583 1.00 16.66 O ATOM 450 CB GLU A 30 -19.427 -22.440 7.926 1.00 16.66 C ATOM 451 CG GLU A 30 -20.393 -22.090 9.062 1.00 16.66 C ATOM 452 CD GLU A 30 -19.681 -21.200 10.086 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.663 -21.614 10.592 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.166 -20.120 10.347 1.00 16.66 O ATOM 0 H GLU A 30 -20.091 -24.828 8.332 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.053 -22.737 6.551 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.575 -22.996 8.317 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -19.034 -21.529 7.475 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.268 -21.576 8.664 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.750 -23.001 9.543 1.00 16.66 H new ATOM 461 N LEU A 31 -18.188 -24.241 5.852 1.00 16.66 N ATOM 462 CA LEU A 31 -17.267 -24.501 4.712 1.00 16.66 C ATOM 463 C LEU A 31 -18.027 -25.253 3.622 1.00 16.66 C ATOM 464 O LEU A 31 -17.915 -24.951 2.450 1.00 16.66 O ATOM 465 CB LEU A 31 -16.087 -25.349 5.190 1.00 16.66 C ATOM 466 CG LEU A 31 -15.271 -25.813 3.980 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.830 -24.596 3.165 1.00 16.66 C ATOM 468 CD2 LEU A 31 -14.038 -26.579 4.462 1.00 16.66 C ATOM 0 H LEU A 31 -17.919 -24.670 6.737 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.893 -23.556 4.317 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.458 -24.769 5.866 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.448 -26.211 5.751 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.883 -26.464 3.356 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -14.249 -24.926 2.304 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -15.709 -24.050 2.822 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -14.217 -23.944 3.787 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.456 -26.910 3.602 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.426 -25.928 5.085 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.352 -27.446 5.043 1.00 16.66 H new ATOM 480 N GLY A 32 -18.806 -26.225 4.002 1.00 16.66 N ATOM 481 CA GLY A 32 -19.581 -26.995 2.992 1.00 16.66 C ATOM 482 C GLY A 32 -20.558 -26.055 2.287 1.00 16.66 C ATOM 483 O GLY A 32 -20.703 -26.084 1.082 1.00 16.66 O ATOM 0 H GLY A 32 -18.940 -26.520 4.969 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.906 -27.449 2.266 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.124 -27.808 3.474 1.00 16.66 H new ATOM 487 N GLU A 33 -21.233 -25.224 3.032 1.00 16.66 N ATOM 488 CA GLU A 33 -22.205 -24.287 2.408 1.00 16.66 C ATOM 489 C GLU A 33 -21.492 -23.401 1.393 1.00 16.66 C ATOM 490 O GLU A 33 -21.984 -23.168 0.307 1.00 16.66 O ATOM 491 CB GLU A 33 -22.836 -23.416 3.494 1.00 50.00 C ATOM 492 CG GLU A 33 -24.101 -24.094 4.021 1.00 50.00 C ATOM 493 CD GLU A 33 -24.873 -23.114 4.907 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.479 -21.961 4.963 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.844 -23.534 5.515 1.00 50.00 O ATOM 0 H GLU A 33 -21.152 -25.154 4.046 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.982 -24.858 1.899 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.128 -23.261 4.308 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.079 -22.433 3.091 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.726 -24.419 3.189 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.838 -24.986 4.590 1.00 50.00 H new ATOM 502 N ALA A 34 -20.332 -22.913 1.724 1.00 16.66 N ATOM 503 CA ALA A 34 -19.596 -22.055 0.758 1.00 16.66 C ATOM 504 C ALA A 34 -19.056 -22.942 -0.360 1.00 16.66 C ATOM 505 O ALA A 34 -19.078 -22.586 -1.521 1.00 16.66 O ATOM 506 CB ALA A 34 -18.434 -21.360 1.470 1.00 50.00 C ATOM 0 H ALA A 34 -19.863 -23.070 2.616 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.262 -21.297 0.346 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.896 -20.732 0.760 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.821 -20.742 2.281 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.756 -22.110 1.877 1.00 50.00 H new ATOM 512 N LEU A 35 -18.573 -24.100 -0.010 1.00 99.99 N ATOM 513 CA LEU A 35 -18.029 -25.025 -1.038 1.00 99.99 C ATOM 514 C LEU A 35 -19.119 -25.351 -2.062 1.00 99.99 C ATOM 515 O LEU A 35 -18.836 -25.628 -3.210 1.00 99.99 O ATOM 516 CB LEU A 35 -17.559 -26.315 -0.362 1.00 99.99 C ATOM 517 CG LEU A 35 -16.076 -26.191 -0.006 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.588 -27.503 0.611 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.269 -25.893 -1.271 1.00 99.99 C ATOM 0 H LEU A 35 -18.532 -24.446 0.949 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.188 -24.552 -1.545 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.146 -26.502 0.537 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.715 -27.165 -1.027 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.942 -25.380 0.710 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.532 -27.415 0.865 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.161 -27.716 1.513 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.723 -28.314 -0.105 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.213 -25.805 -1.016 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.403 -26.703 -1.987 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.615 -24.958 -1.712 1.00 99.99 H new ATOM 531 N LYS A 36 -20.362 -25.321 -1.660 1.00 99.99 N ATOM 532 CA LYS A 36 -21.459 -25.630 -2.620 1.00 99.99 C ATOM 533 C LYS A 36 -21.195 -24.918 -3.948 1.00 99.99 C ATOM 534 O LYS A 36 -21.638 -25.349 -4.993 1.00 99.99 O ATOM 535 CB LYS A 36 -22.790 -25.148 -2.043 1.00 99.99 C ATOM 536 CG LYS A 36 -23.589 -26.348 -1.528 1.00 99.99 C ATOM 537 CD LYS A 36 -24.995 -25.892 -1.129 1.00 99.99 C ATOM 538 CE LYS A 36 -24.900 -24.627 -0.271 1.00 99.99 C ATOM 539 NZ LYS A 36 -25.955 -24.660 0.780 1.00 99.99 N ATOM 0 H LYS A 36 -20.663 -25.097 -0.712 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.500 -26.706 -2.787 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.612 -24.441 -1.232 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.360 -24.620 -2.807 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -23.649 -27.116 -2.299 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.083 -26.795 -0.672 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.591 -25.695 -2.020 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.501 -26.682 -0.575 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -23.914 -24.560 0.190 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.021 -23.741 -0.895 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.891 -23.801 1.363 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -26.892 -24.704 0.330 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -25.820 -25.498 1.381 1.00 99.99 H new ATOM 553 N THR A 37 -20.475 -23.829 -3.914 1.00 99.99 N ATOM 554 CA THR A 37 -20.184 -23.093 -5.174 1.00 99.99 C ATOM 555 C THR A 37 -19.609 -24.066 -6.203 1.00 99.99 C ATOM 556 O THR A 37 -19.727 -23.866 -7.396 1.00 99.99 O ATOM 557 CB THR A 37 -19.171 -21.979 -4.888 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.146 -21.073 -5.982 1.00 99.99 O ATOM 559 CG2 THR A 37 -17.779 -22.584 -4.690 1.00 99.99 C ATOM 0 H THR A 37 -20.077 -23.419 -3.069 1.00 99.99 H new ATOM 0 HA THR A 37 -21.101 -22.653 -5.566 1.00 99.99 H new ATOM 0 HB THR A 37 -19.462 -21.448 -3.982 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.397 -20.178 -5.671 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.062 -21.788 -4.487 1.00 99.99 H new ATOM 0 HG22 THR A 37 -17.800 -23.277 -3.849 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.483 -23.118 -5.593 1.00 99.99 H new ATOM 567 N LEU A 38 -18.989 -25.119 -5.748 1.00 16.66 N ATOM 568 CA LEU A 38 -18.408 -26.109 -6.697 1.00 16.66 C ATOM 569 C LEU A 38 -19.519 -26.658 -7.594 1.00 16.66 C ATOM 570 O LEU A 38 -19.323 -26.898 -8.768 1.00 16.66 O ATOM 571 CB LEU A 38 -17.770 -27.256 -5.914 1.00 50.00 C ATOM 572 CG LEU A 38 -16.549 -26.737 -5.151 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.816 -27.912 -4.502 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.608 -26.020 -6.122 1.00 50.00 C ATOM 0 H LEU A 38 -18.860 -25.337 -4.760 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.647 -25.625 -7.310 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.493 -27.682 -5.218 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.474 -28.055 -6.594 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.872 -26.040 -4.378 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.946 -27.543 -3.958 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.487 -28.422 -3.810 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.492 -28.610 -5.274 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.738 -25.650 -5.579 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.284 -26.716 -6.896 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.131 -25.182 -6.584 1.00 50.00 H new ATOM 586 N GLY A 39 -20.686 -26.850 -7.046 1.00 16.66 N ATOM 587 CA GLY A 39 -21.815 -27.379 -7.861 1.00 16.66 C ATOM 588 C GLY A 39 -21.683 -28.895 -8.008 1.00 16.66 C ATOM 589 O GLY A 39 -22.548 -29.553 -8.551 1.00 16.66 O ATOM 0 H GLY A 39 -20.907 -26.663 -6.068 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.765 -27.132 -7.387 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -21.818 -26.908 -8.844 1.00 16.66 H new ATOM 593 N SER A 40 -20.607 -29.460 -7.531 1.00 16.66 N ATOM 594 CA SER A 40 -20.430 -30.935 -7.651 1.00 16.66 C ATOM 595 C SER A 40 -19.556 -31.447 -6.503 1.00 16.66 C ATOM 596 O SER A 40 -18.507 -32.021 -6.719 1.00 16.66 O ATOM 597 CB SER A 40 -19.756 -31.258 -8.985 1.00 16.66 C ATOM 598 OG SER A 40 -19.152 -32.541 -8.913 1.00 16.66 O ATOM 0 H SER A 40 -19.846 -28.966 -7.065 1.00 16.66 H new ATOM 0 HA SER A 40 -21.405 -31.420 -7.605 1.00 16.66 H new ATOM 0 HB2 SER A 40 -20.490 -31.235 -9.790 1.00 16.66 H new ATOM 0 HB3 SER A 40 -19.005 -30.503 -9.217 1.00 16.66 H new ATOM 0 HG SER A 40 -18.445 -32.532 -8.234 1.00 16.66 H new ATOM 604 N ILE A 41 -19.980 -31.251 -5.284 1.00 16.66 N ATOM 605 CA ILE A 41 -19.173 -31.733 -4.130 1.00 16.66 C ATOM 606 C ILE A 41 -20.087 -32.446 -3.130 1.00 16.66 C ATOM 607 O ILE A 41 -21.279 -32.215 -3.087 1.00 16.66 O ATOM 608 CB ILE A 41 -18.485 -30.541 -3.450 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.316 -31.042 -2.598 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.483 -29.803 -2.554 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.152 -31.440 -3.507 1.00 16.66 C ATOM 0 H ILE A 41 -20.850 -30.778 -5.039 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.413 -32.431 -4.483 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.116 -29.859 -4.216 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -16.999 -30.264 -1.904 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -17.630 -31.896 -1.998 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.987 -28.959 -2.075 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.315 -29.440 -3.158 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.859 -30.484 -1.790 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.321 -31.796 -2.899 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.473 -32.233 -4.183 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -15.832 -30.575 -4.088 1.00 16.66 H new ATOM 623 N THR A 42 -19.535 -33.305 -2.319 1.00 16.66 N ATOM 624 CA THR A 42 -20.366 -34.024 -1.317 1.00 16.66 C ATOM 625 C THR A 42 -20.080 -33.435 0.059 1.00 16.66 C ATOM 626 O THR A 42 -19.054 -32.822 0.276 1.00 16.66 O ATOM 627 CB THR A 42 -20.019 -35.524 -1.310 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.316 -35.847 -0.117 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.146 -35.873 -2.518 1.00 16.66 C ATOM 0 H THR A 42 -18.542 -33.540 -2.308 1.00 16.66 H new ATOM 0 HA THR A 42 -21.420 -33.911 -1.571 1.00 16.66 H new ATOM 0 HB THR A 42 -20.945 -36.097 -1.360 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.098 -36.802 -0.114 1.00 16.66 H new ATOM 0 HG21 THR A 42 -18.908 -36.937 -2.500 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.684 -35.637 -3.436 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.223 -35.294 -2.479 1.00 16.66 H new ATOM 637 N PRO A 43 -20.990 -33.642 1.011 1.00 16.66 N ATOM 638 CA PRO A 43 -20.810 -33.146 2.372 1.00 16.66 C ATOM 639 C PRO A 43 -19.663 -33.886 3.051 1.00 16.66 C ATOM 640 O PRO A 43 -18.963 -33.347 3.886 1.00 16.66 O ATOM 641 CB PRO A 43 -22.141 -33.469 3.054 1.00 50.00 C ATOM 642 CG PRO A 43 -22.693 -34.609 2.265 1.00 50.00 C ATOM 643 CD PRO A 43 -22.256 -34.377 0.846 1.00 50.00 C ATOM 0 HA PRO A 43 -20.563 -32.085 2.414 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.996 -33.742 4.099 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.814 -32.612 3.039 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.317 -35.561 2.639 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.780 -34.645 2.338 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.113 -35.314 0.308 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.990 -33.798 0.286 1.00 50.00 H new ATOM 651 N ASP A 44 -19.475 -35.129 2.700 1.00 16.66 N ATOM 652 CA ASP A 44 -18.384 -35.928 3.321 1.00 16.66 C ATOM 653 C ASP A 44 -17.025 -35.457 2.803 1.00 16.66 C ATOM 654 O ASP A 44 -16.003 -35.727 3.401 1.00 16.66 O ATOM 655 CB ASP A 44 -18.575 -37.405 2.972 1.00 50.00 C ATOM 656 CG ASP A 44 -19.890 -37.906 3.572 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.446 -37.203 4.401 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.319 -38.983 3.193 1.00 50.00 O ATOM 0 H ASP A 44 -20.034 -35.626 2.006 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.418 -35.796 4.402 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.584 -37.536 1.890 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.741 -37.991 3.357 1.00 50.00 H new ATOM 663 N GLU A 45 -16.991 -34.749 1.704 1.00 16.66 N ATOM 664 CA GLU A 45 -15.684 -34.270 1.182 1.00 16.66 C ATOM 665 C GLU A 45 -15.290 -33.019 1.956 1.00 16.66 C ATOM 666 O GLU A 45 -14.135 -32.804 2.272 1.00 16.66 O ATOM 667 CB GLU A 45 -15.815 -33.936 -0.305 1.00 16.66 C ATOM 668 CG GLU A 45 -16.043 -35.223 -1.100 1.00 16.66 C ATOM 669 CD GLU A 45 -14.836 -36.148 -0.927 1.00 16.66 C ATOM 670 OE1 GLU A 45 -13.799 -35.664 -0.506 1.00 16.66 O ATOM 671 OE2 GLU A 45 -14.969 -37.324 -1.221 1.00 16.66 O ATOM 0 H GLU A 45 -17.807 -34.485 1.151 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.924 -35.042 1.303 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.645 -33.247 -0.462 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.914 -33.434 -0.656 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -16.949 -35.721 -0.755 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.189 -34.991 -2.155 1.00 16.66 H new ATOM 678 N VAL A 46 -16.248 -32.199 2.274 1.00 16.66 N ATOM 679 CA VAL A 46 -15.945 -30.964 3.043 1.00 16.66 C ATOM 680 C VAL A 46 -15.516 -31.356 4.456 1.00 16.66 C ATOM 681 O VAL A 46 -14.651 -30.743 5.050 1.00 16.66 O ATOM 682 CB VAL A 46 -17.193 -30.085 3.112 1.00 50.00 C ATOM 683 CG1 VAL A 46 -16.948 -28.923 4.077 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.501 -29.535 1.719 1.00 50.00 C ATOM 0 H VAL A 46 -17.231 -32.331 2.034 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.144 -30.410 2.553 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.037 -30.677 3.466 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -17.839 -28.296 4.126 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.725 -29.315 5.069 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.105 -28.329 3.724 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.391 -28.907 1.764 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.657 -28.943 1.367 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.675 -30.363 1.031 1.00 50.00 H new ATOM 694 N LYS A 47 -16.111 -32.385 4.990 1.00 16.66 N ATOM 695 CA LYS A 47 -15.738 -32.835 6.359 1.00 16.66 C ATOM 696 C LYS A 47 -14.293 -33.329 6.338 1.00 16.66 C ATOM 697 O LYS A 47 -13.523 -33.073 7.243 1.00 16.66 O ATOM 698 CB LYS A 47 -16.664 -33.972 6.797 1.00 16.66 C ATOM 699 CG LYS A 47 -18.078 -33.426 7.010 1.00 16.66 C ATOM 700 CD LYS A 47 -18.967 -34.528 7.588 1.00 16.66 C ATOM 701 CE LYS A 47 -20.423 -34.058 7.596 1.00 50.00 C ATOM 702 NZ LYS A 47 -20.717 -33.375 8.888 1.00 50.00 N ATOM 0 H LYS A 47 -16.841 -32.935 4.537 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.836 -32.007 7.061 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.676 -34.757 6.041 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.294 -34.422 7.718 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -18.052 -32.572 7.687 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.489 -33.071 6.065 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.870 -35.437 6.994 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.648 -34.774 8.601 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.601 -33.377 6.764 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -21.092 -34.908 7.461 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -21.707 -33.055 8.894 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.562 -34.038 9.674 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.087 -32.555 8.998 1.00 50.00 H new ATOM 716 N HIS A 48 -13.920 -34.030 5.305 1.00 16.66 N ATOM 717 CA HIS A 48 -12.523 -34.536 5.211 1.00 16.66 C ATOM 718 C HIS A 48 -11.570 -33.348 5.074 1.00 16.66 C ATOM 719 O HIS A 48 -10.525 -33.299 5.694 1.00 16.66 O ATOM 720 CB HIS A 48 -12.387 -35.444 3.988 1.00 16.66 C ATOM 721 CG HIS A 48 -10.953 -35.870 3.835 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.584 -37.203 3.743 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.786 -35.151 3.757 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.245 -37.245 3.616 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.708 -36.022 3.620 1.00 50.00 N ATOM 0 H HIS A 48 -14.523 -34.275 4.520 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.277 -35.104 6.108 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -13.027 -36.319 4.099 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.718 -34.918 3.093 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.715 -34.074 3.796 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.674 -38.157 3.522 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.721 -35.778 3.540 1.00 50.00 H new ATOM 733 N MET A 49 -11.929 -32.380 4.273 1.00 16.66 N ATOM 734 CA MET A 49 -11.051 -31.194 4.107 1.00 16.66 C ATOM 735 C MET A 49 -10.843 -30.544 5.472 1.00 16.66 C ATOM 736 O MET A 49 -9.744 -30.179 5.841 1.00 16.66 O ATOM 737 CB MET A 49 -11.719 -30.199 3.160 1.00 16.66 C ATOM 738 CG MET A 49 -11.374 -30.559 1.713 1.00 16.66 C ATOM 739 SD MET A 49 -11.407 -29.063 0.694 1.00 16.66 S ATOM 740 CE MET A 49 -12.420 -29.728 -0.649 1.00 16.66 C ATOM 0 H MET A 49 -12.792 -32.363 3.729 1.00 16.66 H new ATOM 0 HA MET A 49 -10.089 -31.494 3.691 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.800 -30.215 3.302 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.383 -29.186 3.384 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.388 -31.021 1.667 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.086 -31.289 1.329 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.571 -28.959 -1.406 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.915 -30.584 -1.096 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.386 -30.043 -0.254 1.00 16.66 H new ATOM 750 N MET A 50 -11.895 -30.406 6.225 1.00 16.66 N ATOM 751 CA MET A 50 -11.774 -29.788 7.572 1.00 16.66 C ATOM 752 C MET A 50 -10.849 -30.643 8.435 1.00 16.66 C ATOM 753 O MET A 50 -9.959 -30.146 9.091 1.00 16.66 O ATOM 754 CB MET A 50 -13.156 -29.709 8.219 1.00 16.66 C ATOM 755 CG MET A 50 -13.819 -28.385 7.839 1.00 16.66 C ATOM 756 SD MET A 50 -15.288 -28.133 8.865 1.00 16.66 S ATOM 757 CE MET A 50 -14.433 -27.540 10.344 1.00 50.00 C ATOM 0 H MET A 50 -12.838 -30.696 5.965 1.00 16.66 H new ATOM 0 HA MET A 50 -11.361 -28.783 7.482 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.773 -30.545 7.889 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.067 -29.786 9.303 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.119 -27.562 7.979 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.095 -28.393 6.785 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.116 -26.935 10.941 1.00 50.00 H new ATOM 0 HE2 MET A 50 -14.092 -28.391 10.933 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.575 -26.935 10.050 1.00 50.00 H new ATOM 767 N ALA A 51 -11.049 -31.928 8.433 1.00 16.66 N ATOM 768 CA ALA A 51 -10.175 -32.819 9.247 1.00 16.66 C ATOM 769 C ALA A 51 -8.721 -32.622 8.815 1.00 16.66 C ATOM 770 O ALA A 51 -7.798 -32.917 9.549 1.00 16.66 O ATOM 771 CB ALA A 51 -10.582 -34.278 9.024 1.00 50.00 C ATOM 0 H ALA A 51 -11.780 -32.403 7.903 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.282 -32.574 10.304 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.942 -34.929 9.620 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.621 -34.416 9.324 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.473 -34.529 7.969 1.00 50.00 H new ATOM 777 N GLU A 52 -8.514 -32.120 7.629 1.00 16.66 N ATOM 778 CA GLU A 52 -7.122 -31.895 7.146 1.00 16.66 C ATOM 779 C GLU A 52 -6.729 -30.443 7.414 1.00 16.66 C ATOM 780 O GLU A 52 -5.599 -30.141 7.742 1.00 16.66 O ATOM 781 CB GLU A 52 -7.050 -32.176 5.644 1.00 16.66 C ATOM 782 CG GLU A 52 -6.870 -33.678 5.414 1.00 16.66 C ATOM 783 CD GLU A 52 -6.414 -33.922 3.974 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.313 -32.958 3.233 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.173 -35.069 3.636 1.00 16.66 O ATOM 0 H GLU A 52 -9.249 -31.856 6.973 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.438 -32.563 7.670 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.960 -31.829 5.154 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.220 -31.627 5.200 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.135 -34.078 6.112 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.807 -34.201 5.604 1.00 16.66 H new ATOM 792 N ILE A 53 -7.661 -29.542 7.278 1.00 16.66 N ATOM 793 CA ILE A 53 -7.362 -28.107 7.526 1.00 16.66 C ATOM 794 C ILE A 53 -7.392 -27.830 9.030 1.00 16.66 C ATOM 795 O ILE A 53 -6.675 -26.990 9.535 1.00 16.66 O ATOM 796 CB ILE A 53 -8.422 -27.258 6.834 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.387 -27.529 5.331 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.139 -25.783 7.101 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.534 -26.780 4.652 1.00 50.00 C ATOM 0 H ILE A 53 -8.623 -29.741 7.004 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.374 -27.862 7.135 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.409 -27.512 7.221 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.432 -27.208 4.915 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.474 -28.599 5.141 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.895 -25.172 6.608 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.165 -25.596 8.175 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.154 -25.525 6.712 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.510 -26.973 3.579 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.485 -27.122 5.061 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.426 -25.710 4.831 1.00 50.00 H new ATOM 811 N ASP A 54 -8.220 -28.537 9.745 1.00 16.66 N ATOM 812 CA ASP A 54 -8.315 -28.337 11.217 1.00 16.66 C ATOM 813 C ASP A 54 -6.958 -28.655 11.854 1.00 16.66 C ATOM 814 O ASP A 54 -6.597 -29.802 12.032 1.00 16.66 O ATOM 815 CB ASP A 54 -9.386 -29.285 11.758 1.00 16.66 C ATOM 816 CG ASP A 54 -9.970 -28.737 13.063 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.511 -27.701 13.507 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.875 -29.362 13.589 1.00 16.66 O ATOM 0 H ASP A 54 -8.842 -29.253 9.368 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.582 -27.307 11.452 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.179 -29.408 11.020 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.955 -30.271 11.930 1.00 16.66 H new ATOM 823 N THR A 55 -6.196 -27.646 12.181 1.00 16.66 N ATOM 824 CA THR A 55 -4.852 -27.881 12.786 1.00 16.66 C ATOM 825 C THR A 55 -4.987 -28.490 14.183 1.00 16.66 C ATOM 826 O THR A 55 -4.306 -29.438 14.523 1.00 16.66 O ATOM 827 CB THR A 55 -4.105 -26.550 12.889 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.884 -25.630 13.640 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.858 -25.990 11.488 1.00 50.00 C ATOM 0 H THR A 55 -6.447 -26.665 12.055 1.00 16.66 H new ATOM 0 HA THR A 55 -4.300 -28.575 12.152 1.00 16.66 H new ATOM 0 HB THR A 55 -3.148 -26.707 13.386 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.833 -25.858 13.553 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.326 -25.042 11.564 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.259 -26.697 10.914 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.812 -25.831 10.986 1.00 50.00 H new ATOM 837 N ASP A 56 -5.846 -27.952 14.997 1.00 16.66 N ATOM 838 CA ASP A 56 -6.009 -28.503 16.374 1.00 16.66 C ATOM 839 C ASP A 56 -7.053 -29.621 16.358 1.00 16.66 C ATOM 840 O ASP A 56 -6.889 -30.649 16.983 1.00 16.66 O ATOM 841 CB ASP A 56 -6.445 -27.385 17.326 1.00 16.66 C ATOM 842 CG ASP A 56 -7.944 -27.119 17.168 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.329 -26.608 16.129 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.679 -27.432 18.088 1.00 16.66 O ATOM 0 H ASP A 56 -6.443 -27.156 14.773 1.00 16.66 H new ATOM 0 HA ASP A 56 -5.059 -28.911 16.719 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.223 -27.666 18.356 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.882 -26.476 17.115 1.00 16.66 H new ATOM 849 N GLY A 57 -8.121 -29.429 15.638 1.00 16.66 N ATOM 850 CA GLY A 57 -9.171 -30.483 15.569 1.00 16.66 C ATOM 851 C GLY A 57 -10.371 -30.097 16.439 1.00 16.66 C ATOM 852 O GLY A 57 -11.071 -30.948 16.950 1.00 16.66 O ATOM 0 H GLY A 57 -8.313 -28.588 15.094 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.491 -30.620 14.536 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.762 -31.436 15.904 1.00 16.66 H new ATOM 856 N ASP A 58 -10.629 -28.826 16.607 1.00 16.66 N ATOM 857 CA ASP A 58 -11.799 -28.420 17.439 1.00 16.66 C ATOM 858 C ASP A 58 -13.074 -28.526 16.597 1.00 16.66 C ATOM 859 O ASP A 58 -14.167 -28.296 17.077 1.00 16.66 O ATOM 860 CB ASP A 58 -11.627 -26.978 17.924 1.00 50.00 C ATOM 861 CG ASP A 58 -11.757 -26.017 16.743 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.202 -26.314 15.700 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.411 -24.999 16.902 1.00 50.00 O ATOM 0 H ASP A 58 -10.087 -28.060 16.209 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.869 -29.078 18.305 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.379 -26.746 18.678 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.653 -26.857 18.398 1.00 50.00 H new ATOM 868 N GLY A 59 -12.943 -28.880 15.345 1.00 16.66 N ATOM 869 CA GLY A 59 -14.147 -29.008 14.479 1.00 16.66 C ATOM 870 C GLY A 59 -14.305 -27.754 13.616 1.00 16.66 C ATOM 871 O GLY A 59 -15.196 -27.668 12.794 1.00 16.66 O ATOM 0 H GLY A 59 -12.055 -29.085 14.888 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -14.056 -29.888 13.843 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -15.035 -29.150 15.095 1.00 16.66 H new ATOM 875 N PHE A 60 -13.461 -26.774 13.799 1.00 16.66 N ATOM 876 CA PHE A 60 -13.592 -25.533 12.984 1.00 16.66 C ATOM 877 C PHE A 60 -12.226 -25.041 12.494 1.00 16.66 C ATOM 878 O PHE A 60 -11.179 -25.317 13.076 1.00 16.66 O ATOM 879 CB PHE A 60 -14.235 -24.430 13.821 1.00 50.00 C ATOM 880 CG PHE A 60 -15.478 -24.953 14.490 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.696 -24.942 13.802 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.417 -25.442 15.799 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.853 -25.422 14.423 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.574 -25.922 16.421 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.793 -25.912 15.733 1.00 50.00 C ATOM 0 H PHE A 60 -12.694 -26.779 14.471 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.214 -25.768 12.120 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.530 -24.074 14.572 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.483 -23.579 13.187 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.743 -24.563 12.792 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.476 -25.449 16.329 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.793 -25.415 13.892 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.527 -26.300 17.432 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.687 -26.282 16.213 1.00 50.00 H new ATOM 895 N ILE A 61 -12.242 -24.284 11.430 1.00 16.66 N ATOM 896 CA ILE A 61 -10.986 -23.727 10.878 1.00 16.66 C ATOM 897 C ILE A 61 -10.971 -22.219 11.137 1.00 16.66 C ATOM 898 O ILE A 61 -11.924 -21.523 10.846 1.00 16.66 O ATOM 899 CB ILE A 61 -10.931 -23.984 9.371 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.286 -25.445 9.088 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.520 -23.690 8.858 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.285 -26.362 9.796 1.00 16.66 C ATOM 0 H ILE A 61 -13.086 -24.028 10.917 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.126 -24.200 11.353 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.645 -23.335 8.864 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.298 -25.658 9.434 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.270 -25.632 8.014 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.478 -23.872 7.784 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.269 -22.648 9.059 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.806 -24.339 9.365 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.539 -27.403 9.594 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.280 -26.156 9.429 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.323 -26.181 10.870 1.00 16.66 H new ATOM 914 N SER A 62 -9.904 -21.705 11.675 1.00 16.66 N ATOM 915 CA SER A 62 -9.837 -20.245 11.941 1.00 16.66 C ATOM 916 C SER A 62 -9.046 -19.583 10.819 1.00 16.66 C ATOM 917 O SER A 62 -8.416 -20.247 10.020 1.00 16.66 O ATOM 918 CB SER A 62 -9.137 -19.998 13.280 1.00 16.66 C ATOM 919 OG SER A 62 -9.836 -20.680 14.311 1.00 16.66 O ATOM 0 H SER A 62 -9.074 -22.234 11.942 1.00 16.66 H new ATOM 0 HA SER A 62 -10.843 -19.827 11.985 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.105 -20.346 13.233 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.103 -18.930 13.494 1.00 16.66 H new ATOM 0 HG SER A 62 -9.388 -20.524 15.169 1.00 16.66 H new ATOM 925 N PHE A 63 -9.067 -18.285 10.745 1.00 16.66 N ATOM 926 CA PHE A 63 -8.306 -17.613 9.662 1.00 16.66 C ATOM 927 C PHE A 63 -6.856 -18.079 9.725 1.00 16.66 C ATOM 928 O PHE A 63 -6.243 -18.386 8.722 1.00 16.66 O ATOM 929 CB PHE A 63 -8.357 -16.099 9.839 1.00 16.66 C ATOM 930 CG PHE A 63 -7.622 -15.467 8.687 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.025 -15.742 7.377 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.534 -14.622 8.925 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.342 -15.169 6.302 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.847 -14.050 7.849 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.253 -14.323 6.536 1.00 16.66 C ATOM 0 H PHE A 63 -9.572 -17.666 11.380 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.746 -17.868 8.698 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.391 -15.754 9.866 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.900 -15.811 10.786 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.864 -16.397 7.196 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.224 -14.411 9.938 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.655 -15.379 5.290 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.005 -13.399 8.030 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.725 -13.880 5.704 1.00 16.66 H new ATOM 945 N GLN A 64 -6.309 -18.140 10.905 1.00 16.66 N ATOM 946 CA GLN A 64 -4.902 -18.589 11.053 1.00 16.66 C ATOM 947 C GLN A 64 -4.759 -20.000 10.477 1.00 16.66 C ATOM 948 O GLN A 64 -3.855 -20.283 9.717 1.00 16.66 O ATOM 949 CB GLN A 64 -4.540 -18.602 12.537 1.00 16.66 C ATOM 950 CG GLN A 64 -3.038 -18.853 12.697 1.00 16.66 C ATOM 951 CD GLN A 64 -2.264 -17.610 12.252 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.515 -16.522 12.729 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.328 -17.727 11.351 1.00 50.00 N ATOM 0 H GLN A 64 -6.780 -17.897 11.777 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.236 -17.912 10.519 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.811 -17.651 12.996 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -5.106 -19.378 13.053 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.806 -19.087 13.736 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.737 -19.715 12.102 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.117 -18.641 10.950 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.807 -16.904 11.047 1.00 50.00 H new ATOM 962 N GLU A 65 -5.651 -20.888 10.832 1.00 16.66 N ATOM 963 CA GLU A 65 -5.574 -22.276 10.304 1.00 16.66 C ATOM 964 C GLU A 65 -5.746 -22.247 8.786 1.00 16.66 C ATOM 965 O GLU A 65 -5.003 -22.869 8.053 1.00 16.66 O ATOM 966 CB GLU A 65 -6.690 -23.114 10.927 1.00 16.66 C ATOM 967 CG GLU A 65 -6.330 -23.460 12.374 1.00 16.66 C ATOM 968 CD GLU A 65 -7.456 -24.289 13.002 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.592 -24.076 12.647 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.162 -25.123 13.828 1.00 16.66 O ATOM 0 H GLU A 65 -6.430 -20.708 11.466 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.607 -22.713 10.553 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.630 -22.564 10.898 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.837 -24.027 10.350 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.395 -24.019 12.403 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -6.174 -22.547 12.948 1.00 16.66 H new ATOM 977 N PHE A 66 -6.720 -21.524 8.311 1.00 16.66 N ATOM 978 CA PHE A 66 -6.944 -21.446 6.841 1.00 16.66 C ATOM 979 C PHE A 66 -5.733 -20.786 6.182 1.00 16.66 C ATOM 980 O PHE A 66 -5.366 -21.105 5.069 1.00 16.66 O ATOM 981 CB PHE A 66 -8.195 -20.612 6.561 1.00 16.66 C ATOM 982 CG PHE A 66 -8.418 -20.521 5.069 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.690 -19.597 4.310 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.349 -21.360 4.447 1.00 16.66 C ATOM 985 CE1 PHE A 66 -7.895 -19.511 2.927 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.553 -21.275 3.064 1.00 16.66 C ATOM 987 CZ PHE A 66 -8.826 -20.350 2.305 1.00 16.66 C ATOM 0 H PHE A 66 -7.372 -20.982 8.878 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.079 -22.449 6.436 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.062 -21.065 7.042 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -8.081 -19.614 6.984 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -6.971 -18.951 4.791 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.910 -22.073 5.033 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.335 -18.797 2.341 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.271 -21.923 2.583 1.00 16.66 H new ATOM 0 HZ PHE A 66 -8.984 -20.284 1.239 1.00 16.66 H new ATOM 997 N THR A 67 -5.104 -19.870 6.867 1.00 16.66 N ATOM 998 CA THR A 67 -3.912 -19.192 6.286 1.00 16.66 C ATOM 999 C THR A 67 -2.774 -20.204 6.153 1.00 16.66 C ATOM 1000 O THR A 67 -2.158 -20.326 5.113 1.00 16.66 O ATOM 1001 CB THR A 67 -3.475 -18.050 7.208 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.464 -17.030 7.197 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.144 -17.478 6.718 1.00 50.00 C ATOM 0 H THR A 67 -5.365 -19.562 7.804 1.00 16.66 H new ATOM 0 HA THR A 67 -4.161 -18.789 5.304 1.00 16.66 H new ATOM 0 HB THR A 67 -3.354 -18.428 8.223 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.266 -17.347 7.662 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.834 -16.665 7.375 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.386 -18.261 6.727 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.262 -17.099 5.703 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.493 -20.934 7.197 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.399 -21.941 7.128 1.00 25.00 C ATOM 1013 C ASP A 68 -1.720 -22.955 6.031 1.00 25.00 C ATOM 1014 O ASP A 68 -0.846 -23.426 5.330 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.281 -22.662 8.473 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.215 -23.755 8.374 1.00 25.00 C ATOM 1017 OD1 ASP A 68 0.670 -23.617 7.545 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -0.300 -24.709 9.129 1.00 50.00 O ATOM 0 H ASP A 68 -2.974 -20.876 8.095 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.456 -21.443 6.903 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -1.017 -21.952 9.257 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -2.241 -23.099 8.749 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.970 -23.291 5.874 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.360 -24.265 4.825 1.00 25.00 C ATOM 1025 C PHE A 69 -3.371 -23.545 3.473 1.00 25.00 C ATOM 1026 O PHE A 69 -2.968 -24.087 2.463 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.750 -24.829 5.177 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.552 -25.106 3.929 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.086 -24.041 3.202 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.755 -26.422 3.503 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.826 -24.288 2.040 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.495 -26.672 2.344 1.00 50.00 C ATOM 1033 CZ PHE A 69 -7.032 -25.606 1.611 1.00 50.00 C ATOM 0 H PHE A 69 -3.742 -22.928 6.433 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.655 -25.094 4.767 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.639 -25.747 5.754 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.285 -24.119 5.808 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.928 -23.026 3.536 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.341 -27.244 4.068 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.237 -23.465 1.475 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.653 -27.688 2.013 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.604 -25.800 0.716 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.828 -22.323 3.452 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.863 -21.562 2.172 1.00 16.66 C ATOM 1045 C GLY A 70 -2.450 -21.495 1.593 1.00 16.66 C ATOM 1046 O GLY A 70 -2.259 -21.421 0.396 1.00 16.66 O ATOM 0 H GLY A 70 -4.179 -21.819 4.266 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.537 -22.046 1.465 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.248 -20.557 2.342 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.456 -21.531 2.439 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.054 -21.481 1.941 1.00 25.00 C ATOM 1052 C ARG A 71 0.270 -22.803 1.243 1.00 25.00 C ATOM 1053 O ARG A 71 1.035 -22.851 0.301 1.00 25.00 O ATOM 1054 CB ARG A 71 0.901 -21.275 3.119 1.00 50.00 C ATOM 1055 CG ARG A 71 0.683 -19.882 3.713 1.00 50.00 C ATOM 1056 CD ARG A 71 1.756 -19.603 4.768 1.00 50.00 C ATOM 1057 NE ARG A 71 1.713 -20.664 5.813 1.00 50.00 N ATOM 1058 CZ ARG A 71 1.835 -20.344 7.072 1.00 50.00 C ATOM 1059 NH1 ARG A 71 1.110 -19.382 7.575 1.00 50.00 N ATOM 1060 NH2 ARG A 71 2.681 -20.988 7.830 1.00 50.00 N ATOM 0 H ARG A 71 -1.555 -21.593 3.452 1.00 25.00 H new ATOM 0 HA ARG A 71 0.061 -20.655 1.239 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.728 -22.037 3.879 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.934 -21.383 2.787 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.727 -19.129 2.926 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.308 -19.817 4.161 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.741 -19.576 4.302 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.591 -18.625 5.220 1.00 50.00 H new ATOM 0 HE ARG A 71 1.588 -21.640 5.544 1.00 50.00 H new ATOM 0 HH11 ARG A 71 0.448 -18.880 6.984 1.00 50.00 H new ATOM 0 HH12 ARG A 71 1.206 -19.132 8.559 1.00 50.00 H new ATOM 0 HH21 ARG A 71 3.246 -21.741 7.438 1.00 50.00 H new ATOM 0 HH22 ARG A 71 2.777 -20.738 8.814 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.317 -23.875 1.700 1.00 25.00 N ATOM 1075 CA ALA A 72 -0.057 -25.197 1.068 1.00 25.00 C ATOM 1076 C ALA A 72 -0.718 -25.235 -0.312 1.00 25.00 C ATOM 1077 O ALA A 72 -0.322 -25.987 -1.180 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.645 -26.303 1.948 1.00 50.00 C ATOM 0 H ALA A 72 -0.967 -23.891 2.486 1.00 25.00 H new ATOM 0 HA ALA A 72 1.017 -25.350 0.962 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.456 -27.273 1.488 1.00 50.00 H new ATOM 0 HB2 ALA A 72 -0.178 -26.271 2.933 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.720 -26.153 2.051 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.721 -24.426 -0.519 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.407 -24.410 -1.841 1.00 25.00 C ATOM 1086 C ASN A 73 -2.749 -22.965 -2.214 1.00 25.00 C ATOM 1087 O ASN A 73 -3.894 -22.623 -2.428 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.692 -25.236 -1.759 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.408 -26.554 -1.039 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.779 -27.437 -1.588 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.845 -26.725 0.178 1.00 50.00 N ATOM 0 H ASN A 73 -2.095 -23.775 0.171 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.751 -24.838 -2.600 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.462 -24.678 -1.227 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -4.075 -25.432 -2.760 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.659 -27.600 0.669 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.373 -25.984 0.639 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.761 -22.115 -2.291 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.026 -20.695 -2.646 1.00 25.00 C ATOM 1100 C ARG A 74 -2.838 -20.649 -3.936 1.00 25.00 C ATOM 1101 O ARG A 74 -3.683 -19.797 -4.126 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.698 -19.962 -2.850 1.00 25.00 C ATOM 1103 CG ARG A 74 0.018 -19.824 -1.506 1.00 25.00 C ATOM 1104 CD ARG A 74 1.325 -19.051 -1.699 1.00 25.00 C ATOM 1105 NE ARG A 74 1.030 -17.716 -2.292 1.00 25.00 N ATOM 1106 CZ ARG A 74 1.950 -16.791 -2.305 1.00 50.00 C ATOM 1107 NH1 ARG A 74 2.589 -16.522 -3.412 1.00 50.00 N ATOM 1108 NH2 ARG A 74 2.232 -16.134 -1.213 1.00 50.00 N ATOM 0 H ARG A 74 -0.782 -22.345 -2.123 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.583 -20.212 -1.843 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.072 -20.510 -3.554 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.876 -18.977 -3.282 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.622 -19.304 -0.793 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.225 -20.810 -1.089 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.834 -18.931 -0.742 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.997 -19.609 -2.350 1.00 25.00 H new ATOM 0 HE ARG A 74 0.109 -17.526 -2.688 1.00 25.00 H new ATOM 0 HH11 ARG A 74 2.369 -17.035 -4.266 1.00 50.00 H new ATOM 0 HH12 ARG A 74 3.308 -15.799 -3.423 1.00 50.00 H new ATOM 0 HH21 ARG A 74 1.733 -16.344 -0.348 1.00 50.00 H new ATOM 0 HH22 ARG A 74 2.951 -15.411 -1.224 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.586 -21.566 -4.825 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.337 -21.592 -6.106 1.00 25.00 C ATOM 1124 C GLY A 75 -4.797 -21.958 -5.834 1.00 25.00 C ATOM 1125 O GLY A 75 -5.683 -21.634 -6.602 1.00 25.00 O ATOM 0 H GLY A 75 -1.888 -22.302 -4.718 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.280 -20.619 -6.593 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.890 -22.316 -6.787 1.00 25.00 H new ATOM 1129 N LEU A 76 -5.056 -22.632 -4.748 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.458 -23.018 -4.429 1.00 25.00 C ATOM 1131 C LEU A 76 -7.246 -21.777 -4.011 1.00 25.00 C ATOM 1132 O LEU A 76 -8.354 -21.550 -4.454 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.461 -24.034 -3.285 1.00 25.00 C ATOM 1134 CG LEU A 76 -6.305 -25.445 -3.854 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -6.203 -26.451 -2.707 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -7.520 -25.781 -4.721 1.00 50.00 C ATOM 0 H LEU A 76 -4.357 -22.932 -4.068 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.921 -23.463 -5.310 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.648 -23.819 -2.591 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.390 -23.959 -2.720 1.00 25.00 H new ATOM 0 HG LEU A 76 -5.400 -25.494 -4.460 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -6.092 -27.456 -3.114 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.338 -26.212 -2.089 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -7.107 -26.403 -2.100 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -7.410 -26.786 -5.127 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -8.424 -25.731 -4.115 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -7.592 -25.065 -5.540 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.679 -20.971 -3.159 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.385 -19.744 -2.706 1.00 25.00 C ATOM 1150 C LEU A 77 -7.621 -18.817 -3.897 1.00 25.00 C ATOM 1151 O LEU A 77 -8.685 -18.250 -4.054 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.531 -19.029 -1.654 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.135 -19.997 -0.524 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -7.190 -21.097 -0.353 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -4.779 -20.634 -0.836 1.00 50.00 C ATOM 0 H LEU A 77 -5.753 -21.111 -2.756 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.347 -20.016 -2.270 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.634 -18.622 -2.122 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.085 -18.186 -1.240 1.00 25.00 H new ATOM 0 HG LEU A 77 -6.069 -19.430 0.404 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -6.888 -21.769 0.451 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -8.151 -20.645 -0.107 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -7.282 -21.661 -1.281 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -4.505 -21.318 -0.033 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -4.843 -21.184 -1.775 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -4.022 -19.854 -0.923 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.641 -18.662 -4.739 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.813 -17.774 -5.923 1.00 25.00 C ATOM 1169 C LYS A 78 -7.819 -18.406 -6.885 1.00 25.00 C ATOM 1170 O LYS A 78 -8.543 -17.723 -7.582 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.468 -17.600 -6.631 1.00 25.00 C ATOM 1172 CG LYS A 78 -5.058 -18.925 -7.277 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.743 -18.737 -8.037 1.00 50.00 C ATOM 1174 CE LYS A 78 -3.527 -19.921 -8.981 1.00 50.00 C ATOM 1175 NZ LYS A 78 -2.077 -20.040 -9.304 1.00 50.00 N ATOM 0 H LYS A 78 -5.728 -19.111 -4.660 1.00 25.00 H new ATOM 0 HA LYS A 78 -7.179 -16.800 -5.599 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.542 -16.821 -7.389 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -4.708 -17.280 -5.918 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.942 -19.694 -6.513 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -5.838 -19.267 -7.957 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.768 -17.806 -8.603 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.912 -18.661 -7.335 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -3.884 -20.840 -8.516 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -4.104 -19.781 -9.895 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.929 -20.845 -9.946 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -1.751 -19.166 -9.764 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.538 -20.192 -8.428 1.00 50.00 H new ATOM 1189 N ASP A 79 -7.871 -19.708 -6.925 1.00 25.00 N ATOM 1190 CA ASP A 79 -8.830 -20.390 -7.835 1.00 25.00 C ATOM 1191 C ASP A 79 -10.241 -20.277 -7.257 1.00 25.00 C ATOM 1192 O ASP A 79 -11.208 -20.119 -7.976 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.449 -21.865 -7.958 1.00 25.00 C ATOM 1194 CG ASP A 79 -7.437 -22.040 -9.091 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -7.130 -21.055 -9.743 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -6.985 -23.156 -9.289 1.00 50.00 O ATOM 0 H ASP A 79 -7.289 -20.330 -6.365 1.00 25.00 H new ATOM 0 HA ASP A 79 -8.799 -19.922 -8.819 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.024 -22.221 -7.019 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.337 -22.465 -8.154 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.360 -20.353 -5.962 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.702 -20.245 -5.330 1.00 25.00 C ATOM 1203 C VAL A 80 -12.109 -18.774 -5.262 1.00 25.00 C ATOM 1204 O VAL A 80 -13.264 -18.427 -5.407 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.649 -20.825 -3.916 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -13.064 -20.890 -3.338 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -11.050 -22.232 -3.963 1.00 50.00 C ATOM 0 H VAL A 80 -9.584 -20.485 -5.313 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.430 -20.800 -5.921 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.029 -20.188 -3.285 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -13.027 -21.303 -2.330 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -13.489 -19.887 -3.303 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -13.686 -21.526 -3.968 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -11.012 -22.645 -2.955 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -11.669 -22.870 -4.594 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -10.041 -22.185 -4.374 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.162 -17.907 -5.037 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.481 -16.454 -4.952 1.00 25.00 C ATOM 1219 C ALA A 81 -12.277 -16.024 -6.186 1.00 25.00 C ATOM 1220 O ALA A 81 -13.232 -15.279 -6.091 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.181 -15.651 -4.879 1.00 50.00 C ATOM 0 H ALA A 81 -10.178 -18.142 -4.908 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.077 -16.269 -4.058 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.413 -14.588 -4.817 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.617 -15.952 -3.996 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.586 -15.841 -5.772 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.888 -16.479 -7.343 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.619 -16.088 -8.582 1.00 25.00 C ATOM 1229 C LYS A 82 -14.005 -16.735 -8.585 1.00 25.00 C ATOM 1230 O LYS A 82 -14.932 -16.237 -9.193 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.836 -16.562 -9.808 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.402 -16.032 -9.733 1.00 25.00 C ATOM 1233 CD LYS A 82 -10.387 -14.547 -10.099 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.966 -14.129 -10.482 1.00 50.00 C ATOM 1235 NZ LYS A 82 -8.605 -12.877 -9.760 1.00 50.00 N ATOM 0 H LYS A 82 -11.095 -17.105 -7.486 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.724 -15.003 -8.612 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.831 -17.651 -9.851 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.318 -16.209 -10.720 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.003 -16.174 -8.729 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.760 -16.592 -10.413 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -11.069 -14.359 -10.929 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.738 -13.951 -9.257 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.262 -14.922 -10.231 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.899 -13.973 -11.559 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -7.639 -12.592 -10.020 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -9.271 -12.122 -10.021 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.653 -13.042 -8.734 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.153 -17.840 -7.911 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.476 -18.521 -7.875 1.00 25.00 C ATOM 1251 C ILE A 83 -16.498 -17.615 -7.192 1.00 25.00 C ATOM 1252 O ILE A 83 -17.608 -17.448 -7.658 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.347 -19.828 -7.095 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.187 -20.647 -7.667 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -16.647 -20.625 -7.218 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.190 -22.043 -7.042 1.00 50.00 C ATOM 0 H ILE A 83 -13.413 -18.302 -7.382 1.00 25.00 H new ATOM 0 HA ILE A 83 -15.807 -18.734 -8.892 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.155 -19.610 -6.044 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.280 -20.722 -8.750 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.240 -20.148 -7.463 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -16.556 -21.558 -6.662 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.472 -20.040 -6.812 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -16.840 -20.846 -8.268 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -13.364 -22.626 -7.450 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.076 -21.958 -5.961 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.132 -22.541 -7.269 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.131 -17.026 -6.091 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.078 -16.127 -5.372 1.00 25.00 C ATOM 1270 C PHE A 84 -16.938 -14.704 -5.914 1.00 25.00 C ATOM 1271 O PHE A 84 -16.675 -14.564 -7.097 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.756 -16.139 -3.877 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.005 -17.519 -3.320 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.010 -18.499 -3.404 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.234 -17.821 -2.718 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.241 -19.780 -2.889 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.466 -19.101 -2.202 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.469 -20.080 -2.287 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.096 -13.776 -5.136 1.00 99.99 O ATOM 0 H PHE A 84 -15.214 -17.127 -5.655 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.099 -16.475 -5.525 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.717 -15.852 -3.716 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.373 -15.408 -3.355 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.062 -18.267 -3.867 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -19.003 -17.065 -2.652 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.473 -20.536 -2.956 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.413 -19.333 -1.739 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.647 -21.068 -1.888 1.00 50.00 H new