USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=10 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+ 156:sc= -0.477 (180deg=-1.55!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.33! C(o=-3.3!,f=-8.1!) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0.528 (180deg=0.483) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00368 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 168:sc= -3.56! USER MOD Single : A 40 SER OG : rot 40:sc= 0.0602 USER MOD Single : A 42 THR OG1 : rot -140:sc= 0.0672 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.327 K(o=-0.33,f=-0.84) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 153:sc= -8.86! (180deg=-9.62!) USER MOD Single : A 55 THR OG1 : rot -23:sc= -1.93! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0646 USER MOD Single : A 64 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.24) USER MOD Single : A 67 THR OG1 : rot 77:sc= 0.772 USER MOD Single : A 73 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.4) 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 -1.332 -10.335 0.100 1.00 16.66 N ATOM 86 CA ASP A 7 -1.985 -11.666 -0.042 1.00 16.66 C ATOM 87 C ASP A 7 -2.954 -11.882 1.120 1.00 16.66 C ATOM 88 O ASP A 7 -4.088 -12.278 0.932 1.00 16.66 O ATOM 89 CB ASP A 7 -0.918 -12.763 -0.026 1.00 16.66 C ATOM 90 CG ASP A 7 -0.094 -12.689 -1.313 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.638 -12.262 -2.318 1.00 50.00 O ATOM 92 OD2 ASP A 7 1.067 -13.061 -1.272 1.00 50.00 O ATOM 0 HA ASP A 7 -2.531 -11.705 -0.985 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.269 -12.642 0.842 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.389 -13.742 0.062 1.00 16.66 H new ATOM 97 N LYS A 8 -2.516 -11.622 2.317 1.00 16.66 N ATOM 98 CA LYS A 8 -3.406 -11.807 3.497 1.00 16.66 C ATOM 99 C LYS A 8 -4.754 -11.144 3.224 1.00 16.66 C ATOM 100 O LYS A 8 -5.792 -11.632 3.627 1.00 16.66 O ATOM 101 CB LYS A 8 -2.763 -11.164 4.724 1.00 16.66 C ATOM 102 CG LYS A 8 -1.886 -12.194 5.437 1.00 16.66 C ATOM 103 CD LYS A 8 -1.803 -11.850 6.925 1.00 16.66 C ATOM 104 CE LYS A 8 -0.741 -12.726 7.593 1.00 50.00 C ATOM 105 NZ LYS A 8 0.453 -12.821 6.706 1.00 50.00 N ATOM 0 H LYS A 8 -1.576 -11.288 2.532 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.553 -12.872 3.679 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.163 -10.304 4.425 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.534 -10.795 5.401 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.301 -13.193 5.306 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.888 -12.203 4.999 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.553 -10.797 7.052 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.771 -12.008 7.400 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.459 -12.303 8.557 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -1.143 -13.720 7.787 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.293 -13.044 7.277 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.304 -13.572 6.002 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.597 -11.913 6.219 1.00 50.00 H new ATOM 119 N ALA A 9 -4.746 -10.036 2.540 1.00 16.66 N ATOM 120 CA ALA A 9 -6.025 -9.340 2.237 1.00 16.66 C ATOM 121 C ALA A 9 -6.925 -10.280 1.443 1.00 16.66 C ATOM 122 O ALA A 9 -8.095 -10.432 1.731 1.00 16.66 O ATOM 123 CB ALA A 9 -5.744 -8.080 1.415 1.00 16.66 C ATOM 0 H ALA A 9 -3.908 -9.582 2.177 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.518 -9.056 3.167 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.683 -7.572 1.195 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.095 -7.413 1.982 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.253 -8.356 0.482 1.00 16.66 H new ATOM 129 N GLU A 10 -6.383 -10.920 0.448 1.00 16.66 N ATOM 130 CA GLU A 10 -7.202 -11.863 -0.363 1.00 16.66 C ATOM 131 C GLU A 10 -7.598 -13.054 0.509 1.00 16.66 C ATOM 132 O GLU A 10 -8.712 -13.532 0.463 1.00 16.66 O ATOM 133 CB GLU A 10 -6.382 -12.351 -1.560 1.00 16.66 C ATOM 134 CG GLU A 10 -5.762 -11.151 -2.276 1.00 16.66 C ATOM 135 CD GLU A 10 -4.972 -11.635 -3.496 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.595 -12.795 -3.509 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.757 -10.836 -4.392 1.00 16.66 O ATOM 0 H GLU A 10 -5.408 -10.832 0.160 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.098 -11.359 -0.724 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.600 -13.032 -1.225 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.018 -12.909 -2.247 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.543 -10.457 -2.587 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.105 -10.608 -1.596 1.00 16.66 H new ATOM 144 N ARG A 11 -6.687 -13.530 1.308 1.00 16.66 N ATOM 145 CA ARG A 11 -6.995 -14.687 2.194 1.00 16.66 C ATOM 146 C ARG A 11 -8.038 -14.271 3.230 1.00 16.66 C ATOM 147 O ARG A 11 -8.953 -15.008 3.542 1.00 16.66 O ATOM 148 CB ARG A 11 -5.721 -15.123 2.914 1.00 16.66 C ATOM 149 CG ARG A 11 -4.708 -15.638 1.889 1.00 16.66 C ATOM 150 CD ARG A 11 -3.713 -16.572 2.575 1.00 50.00 C ATOM 151 NE ARG A 11 -2.451 -16.605 1.786 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.244 -17.561 0.922 1.00 50.00 C ATOM 153 NH1 ARG A 11 -2.245 -17.296 -0.355 1.00 50.00 N ATOM 154 NH2 ARG A 11 -2.037 -18.780 1.336 1.00 50.00 N ATOM 0 H ARG A 11 -5.737 -13.166 1.387 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.382 -15.511 1.595 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.299 -14.285 3.469 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.949 -15.904 3.640 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.224 -16.166 1.087 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.180 -14.801 1.432 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.513 -16.228 3.590 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.133 -17.575 2.655 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.747 -15.879 1.921 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -2.407 -16.342 -0.678 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -2.083 -18.043 -1.031 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -2.037 -18.986 2.335 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -1.875 -19.527 0.661 1.00 50.00 H new ATOM 168 N GLU A 12 -7.903 -13.092 3.762 1.00 16.66 N ATOM 169 CA GLU A 12 -8.879 -12.610 4.779 1.00 16.66 C ATOM 170 C GLU A 12 -10.256 -12.467 4.133 1.00 16.66 C ATOM 171 O GLU A 12 -11.264 -12.820 4.710 1.00 16.66 O ATOM 172 CB GLU A 12 -8.424 -11.255 5.323 1.00 16.66 C ATOM 173 CG GLU A 12 -7.627 -11.464 6.613 1.00 16.66 C ATOM 174 CD GLU A 12 -7.623 -10.169 7.427 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.406 -9.290 7.110 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.835 -10.079 8.354 1.00 50.00 O ATOM 0 H GLU A 12 -7.155 -12.436 3.536 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.935 -13.327 5.598 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.810 -10.742 4.583 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.289 -10.620 5.516 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -8.067 -12.272 7.198 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.605 -11.761 6.377 1.00 16.66 H new ATOM 183 N ARG A 13 -10.306 -11.954 2.936 1.00 16.66 N ATOM 184 CA ARG A 13 -11.617 -11.791 2.249 1.00 16.66 C ATOM 185 C ARG A 13 -12.198 -13.168 1.939 1.00 16.66 C ATOM 186 O ARG A 13 -13.380 -13.403 2.086 1.00 16.66 O ATOM 187 CB ARG A 13 -11.416 -11.014 0.948 1.00 16.66 C ATOM 188 CG ARG A 13 -10.845 -9.632 1.267 1.00 16.66 C ATOM 189 CD ARG A 13 -10.300 -8.997 -0.013 1.00 16.66 C ATOM 190 NE ARG A 13 -11.437 -8.552 -0.868 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.302 -8.516 -2.166 1.00 50.00 C ATOM 192 NH1 ARG A 13 -10.131 -8.293 -2.696 1.00 50.00 N ATOM 193 NH2 ARG A 13 -12.341 -8.704 -2.935 1.00 50.00 N ATOM 0 H ARG A 13 -9.495 -11.640 2.403 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.304 -11.243 2.894 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.739 -11.556 0.288 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.364 -10.915 0.420 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.619 -8.998 1.699 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.052 -9.717 2.010 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.661 -8.148 0.232 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.683 -9.715 -0.554 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.320 -8.276 -0.439 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -9.319 -8.146 -2.096 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -10.027 -8.265 -3.710 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -13.257 -8.879 -2.521 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -12.237 -8.676 -3.949 1.00 50.00 H new ATOM 207 N ILE A 14 -11.372 -14.082 1.518 1.00 16.66 N ATOM 208 CA ILE A 14 -11.871 -15.448 1.206 1.00 16.66 C ATOM 209 C ILE A 14 -12.248 -16.150 2.511 1.00 16.66 C ATOM 210 O ILE A 14 -13.284 -16.776 2.615 1.00 16.66 O ATOM 211 CB ILE A 14 -10.774 -16.241 0.495 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.326 -15.480 -0.754 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.319 -17.612 0.088 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.918 -15.933 -1.151 1.00 50.00 C ATOM 0 H ILE A 14 -10.372 -13.942 1.376 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.745 -15.384 0.558 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.925 -16.372 1.166 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -11.022 -15.662 -1.573 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.334 -14.407 -0.561 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.538 -18.178 -0.419 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.641 -18.154 0.977 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.167 -17.481 -0.584 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.599 -15.391 -2.041 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.226 -15.729 -0.334 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.926 -17.003 -1.361 1.00 50.00 H new ATOM 226 N PHE A 15 -11.417 -16.043 3.512 1.00 16.66 N ATOM 227 CA PHE A 15 -11.737 -16.699 4.809 1.00 16.66 C ATOM 228 C PHE A 15 -12.958 -16.019 5.424 1.00 16.66 C ATOM 229 O PHE A 15 -13.792 -16.655 6.039 1.00 16.66 O ATOM 230 CB PHE A 15 -10.547 -16.579 5.763 1.00 16.66 C ATOM 231 CG PHE A 15 -10.883 -17.287 7.056 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.540 -16.602 8.086 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.545 -18.636 7.220 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.857 -17.266 9.279 1.00 16.66 C ATOM 235 CE2 PHE A 15 -10.863 -19.300 8.410 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.519 -18.615 9.441 1.00 16.66 C ATOM 0 H PHE A 15 -10.535 -15.532 3.487 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.948 -17.755 4.639 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.657 -17.019 5.313 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.322 -15.530 5.955 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -11.802 -15.562 7.961 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.038 -19.165 6.427 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.362 -16.737 10.074 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.603 -20.341 8.534 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.764 -19.127 10.360 1.00 16.66 H new ATOM 246 N LYS A 16 -13.075 -14.731 5.259 1.00 16.66 N ATOM 247 CA LYS A 16 -14.249 -14.014 5.829 1.00 16.66 C ATOM 248 C LYS A 16 -15.516 -14.495 5.123 1.00 16.66 C ATOM 249 O LYS A 16 -16.585 -14.532 5.700 1.00 16.66 O ATOM 250 CB LYS A 16 -14.084 -12.507 5.616 1.00 50.00 C ATOM 251 CG LYS A 16 -13.215 -11.926 6.732 1.00 50.00 C ATOM 252 CD LYS A 16 -13.116 -10.408 6.566 1.00 50.00 C ATOM 253 CE LYS A 16 -12.067 -9.857 7.533 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.618 -8.663 8.235 1.00 50.00 N ATOM 0 H LYS A 16 -12.410 -14.145 4.755 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.322 -14.218 6.897 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.626 -12.314 4.646 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.060 -12.021 5.610 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.643 -12.169 7.704 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.221 -12.371 6.702 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.846 -10.161 5.540 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.084 -9.946 6.761 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.788 -10.622 8.258 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.162 -9.587 6.989 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.905 -8.288 8.893 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -12.864 -7.932 7.537 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.470 -8.935 8.766 1.00 50.00 H new ATOM 268 N ARG A 17 -15.401 -14.873 3.879 1.00 16.66 N ATOM 269 CA ARG A 17 -16.596 -15.362 3.138 1.00 16.66 C ATOM 270 C ARG A 17 -17.002 -16.727 3.689 1.00 16.66 C ATOM 271 O ARG A 17 -18.169 -17.051 3.783 1.00 16.66 O ATOM 272 CB ARG A 17 -16.255 -15.492 1.651 1.00 16.66 C ATOM 273 CG ARG A 17 -16.236 -14.104 1.007 1.00 16.66 C ATOM 274 CD ARG A 17 -16.393 -14.244 -0.508 1.00 50.00 C ATOM 275 NE ARG A 17 -16.202 -12.914 -1.152 1.00 50.00 N ATOM 276 CZ ARG A 17 -15.115 -12.667 -1.830 1.00 50.00 C ATOM 277 NH1 ARG A 17 -14.261 -11.781 -1.394 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.881 -13.305 -2.944 1.00 50.00 N ATOM 0 H ARG A 17 -14.532 -14.864 3.345 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.419 -14.658 3.260 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.285 -15.973 1.531 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.989 -16.125 1.153 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.042 -13.492 1.412 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.301 -13.595 1.241 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.664 -14.956 -0.896 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.381 -14.637 -0.747 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.921 -12.196 -1.063 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -14.444 -11.282 -0.523 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -13.411 -11.588 -1.924 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.548 -13.997 -3.285 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -14.031 -13.112 -3.474 1.00 50.00 H new ATOM 292 N PHE A 18 -16.042 -17.530 4.058 1.00 16.66 N ATOM 293 CA PHE A 18 -16.367 -18.876 4.607 1.00 16.66 C ATOM 294 C PHE A 18 -17.044 -18.720 5.968 1.00 16.66 C ATOM 295 O PHE A 18 -18.081 -19.297 6.226 1.00 16.66 O ATOM 296 CB PHE A 18 -15.081 -19.688 4.765 1.00 16.66 C ATOM 297 CG PHE A 18 -14.685 -20.269 3.429 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.417 -21.328 2.879 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.585 -19.747 2.738 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.049 -21.866 1.640 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.217 -20.284 1.499 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.949 -21.344 0.951 1.00 16.66 C ATOM 0 H PHE A 18 -15.047 -17.312 4.003 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.040 -19.394 3.924 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.282 -19.053 5.149 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.230 -20.487 5.491 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.266 -21.730 3.411 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.020 -18.930 3.161 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.614 -22.683 1.216 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.369 -19.881 0.966 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.664 -21.759 -0.005 1.00 16.66 H new ATOM 312 N ASP A 19 -16.472 -17.937 6.838 1.00 16.66 N ATOM 313 CA ASP A 19 -17.092 -17.742 8.178 1.00 16.66 C ATOM 314 C ASP A 19 -18.516 -17.208 7.988 1.00 16.66 C ATOM 315 O ASP A 19 -18.719 -16.053 7.673 1.00 16.66 O ATOM 316 CB ASP A 19 -16.261 -16.742 8.988 1.00 16.66 C ATOM 317 CG ASP A 19 -16.516 -16.971 10.473 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.264 -17.877 10.781 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.954 -16.243 11.274 1.00 16.66 O ATOM 0 H ASP A 19 -15.604 -17.425 6.680 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.124 -18.689 8.717 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.201 -16.865 8.765 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.528 -15.721 8.713 1.00 16.66 H new ATOM 324 N ALA A 20 -19.502 -18.051 8.153 1.00 16.66 N ATOM 325 CA ALA A 20 -20.914 -17.609 7.955 1.00 16.66 C ATOM 326 C ALA A 20 -21.337 -16.602 9.030 1.00 16.66 C ATOM 327 O ALA A 20 -21.853 -15.546 8.723 1.00 16.66 O ATOM 328 CB ALA A 20 -21.836 -18.828 8.019 1.00 50.00 C ATOM 0 H ALA A 20 -19.389 -19.030 8.417 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.989 -17.125 6.981 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.869 -18.511 7.875 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.561 -19.534 7.236 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.736 -19.309 8.992 1.00 50.00 H new ATOM 334 N ASN A 21 -21.141 -16.910 10.286 1.00 16.66 N ATOM 335 CA ASN A 21 -21.561 -15.944 11.344 1.00 16.66 C ATOM 336 C ASN A 21 -20.432 -14.947 11.613 1.00 16.66 C ATOM 337 O ASN A 21 -20.670 -13.805 11.954 1.00 16.66 O ATOM 338 CB ASN A 21 -21.933 -16.697 12.629 1.00 16.66 C ATOM 339 CG ASN A 21 -20.712 -17.398 13.227 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.790 -17.750 12.517 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.697 -17.615 14.513 1.00 16.66 N ATOM 0 H ASN A 21 -20.715 -17.774 10.621 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.438 -15.395 11.001 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.349 -15.999 13.356 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.709 -17.432 12.413 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.901 -18.088 14.941 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.481 -17.311 15.091 1.00 16.66 H new ATOM 348 N GLY A 22 -19.209 -15.358 11.445 1.00 16.66 N ATOM 349 CA GLY A 22 -18.074 -14.420 11.674 1.00 16.66 C ATOM 350 C GLY A 22 -17.559 -14.553 13.108 1.00 16.66 C ATOM 351 O GLY A 22 -17.146 -13.589 13.720 1.00 16.66 O ATOM 0 H GLY A 22 -18.944 -16.301 11.160 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.270 -14.633 10.970 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.397 -13.395 11.489 1.00 16.66 H new ATOM 355 N ASP A 23 -17.568 -15.740 13.648 1.00 16.66 N ATOM 356 CA ASP A 23 -17.061 -15.917 15.039 1.00 16.66 C ATOM 357 C ASP A 23 -15.562 -16.233 14.995 1.00 16.66 C ATOM 358 O ASP A 23 -14.938 -16.470 16.010 1.00 16.66 O ATOM 359 CB ASP A 23 -17.819 -17.048 15.744 1.00 16.66 C ATOM 360 CG ASP A 23 -17.637 -18.364 14.985 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.236 -18.316 13.838 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.914 -19.399 15.567 1.00 16.66 O ATOM 0 H ASP A 23 -17.901 -16.589 13.192 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.221 -14.996 15.599 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.456 -17.157 16.766 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.879 -16.800 15.807 1.00 16.66 H new ATOM 367 N GLY A 24 -14.976 -16.217 13.825 1.00 16.66 N ATOM 368 CA GLY A 24 -13.515 -16.495 13.715 1.00 16.66 C ATOM 369 C GLY A 24 -13.274 -17.977 13.418 1.00 16.66 C ATOM 370 O GLY A 24 -12.156 -18.394 13.187 1.00 16.66 O ATOM 0 H GLY A 24 -15.448 -16.023 12.942 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.081 -15.884 12.924 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.015 -16.218 14.643 1.00 16.66 H new ATOM 374 N LYS A 25 -14.300 -18.782 13.434 1.00 16.66 N ATOM 375 CA LYS A 25 -14.102 -20.234 13.162 1.00 16.66 C ATOM 376 C LYS A 25 -15.116 -20.713 12.119 1.00 16.66 C ATOM 377 O LYS A 25 -16.264 -20.294 12.102 1.00 16.66 O ATOM 378 CB LYS A 25 -14.272 -21.029 14.467 1.00 50.00 C ATOM 379 CG LYS A 25 -15.739 -21.031 14.900 1.00 50.00 C ATOM 380 CD LYS A 25 -15.993 -22.231 15.817 1.00 50.00 C ATOM 381 CE LYS A 25 -16.215 -21.747 17.251 1.00 50.00 C ATOM 382 NZ LYS A 25 -17.510 -21.014 17.335 1.00 50.00 N ATOM 0 H LYS A 25 -15.262 -18.500 13.622 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.096 -20.394 12.773 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -13.926 -22.053 14.325 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.655 -20.590 15.251 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -15.978 -20.104 15.421 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.388 -21.082 14.026 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -16.865 -22.787 15.472 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.145 -22.914 15.781 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -16.220 -22.595 17.935 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -15.396 -21.096 17.557 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -17.582 -20.542 18.259 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.556 -20.302 16.578 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -18.297 -21.686 17.227 1.00 50.00 H new ATOM 396 N ILE A 26 -14.695 -21.595 11.249 1.00 16.66 N ATOM 397 CA ILE A 26 -15.613 -22.117 10.198 1.00 16.66 C ATOM 398 C ILE A 26 -15.906 -23.596 10.459 1.00 16.66 C ATOM 399 O ILE A 26 -15.016 -24.380 10.722 1.00 16.66 O ATOM 400 CB ILE A 26 -14.952 -21.965 8.829 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.264 -20.602 8.744 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.015 -22.066 7.734 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.732 -20.393 7.327 1.00 16.66 C ATOM 0 H ILE A 26 -13.749 -21.977 11.223 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.546 -21.554 10.220 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.214 -22.755 8.693 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.967 -19.810 9.001 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.447 -20.549 9.463 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.543 -21.957 6.758 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.507 -23.037 7.793 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.753 -21.276 7.870 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.241 -19.422 7.262 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.016 -21.179 7.088 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.560 -20.429 6.619 1.00 16.66 H new ATOM 415 N SER A 27 -17.149 -23.981 10.382 1.00 16.66 N ATOM 416 CA SER A 27 -17.511 -25.405 10.617 1.00 16.66 C ATOM 417 C SER A 27 -17.837 -26.059 9.277 1.00 16.66 C ATOM 418 O SER A 27 -18.029 -25.388 8.282 1.00 16.66 O ATOM 419 CB SER A 27 -18.738 -25.477 11.527 1.00 50.00 C ATOM 420 OG SER A 27 -19.915 -25.347 10.744 1.00 50.00 O ATOM 0 H SER A 27 -17.934 -23.366 10.165 1.00 16.66 H new ATOM 0 HA SER A 27 -16.678 -25.924 11.092 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.749 -26.424 12.066 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.696 -24.685 12.275 1.00 50.00 H new ATOM 0 HG SER A 27 -20.702 -25.395 11.326 1.00 50.00 H new ATOM 426 N ALA A 28 -17.907 -27.359 9.233 1.00 16.66 N ATOM 427 CA ALA A 28 -18.227 -28.031 7.947 1.00 16.66 C ATOM 428 C ALA A 28 -19.465 -27.374 7.347 1.00 16.66 C ATOM 429 O ALA A 28 -19.520 -27.083 6.171 1.00 16.66 O ATOM 430 CB ALA A 28 -18.497 -29.516 8.192 1.00 50.00 C ATOM 0 H ALA A 28 -17.757 -27.981 10.027 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.386 -27.935 7.260 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.731 -30.004 7.246 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.613 -29.979 8.630 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.340 -29.625 8.875 1.00 50.00 H new ATOM 436 N ALA A 29 -20.463 -27.137 8.147 1.00 16.66 N ATOM 437 CA ALA A 29 -21.699 -26.497 7.624 1.00 16.66 C ATOM 438 C ALA A 29 -21.346 -25.146 7.004 1.00 16.66 C ATOM 439 O ALA A 29 -21.872 -24.768 5.976 1.00 16.66 O ATOM 440 CB ALA A 29 -22.693 -26.293 8.769 1.00 50.00 C ATOM 0 H ALA A 29 -20.477 -27.359 9.142 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.149 -27.138 6.866 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.599 -25.824 8.385 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -22.943 -27.258 9.210 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.246 -25.652 9.529 1.00 50.00 H new ATOM 446 N GLU A 30 -20.458 -24.412 7.617 1.00 16.66 N ATOM 447 CA GLU A 30 -20.077 -23.089 7.055 1.00 16.66 C ATOM 448 C GLU A 30 -19.181 -23.299 5.837 1.00 16.66 C ATOM 449 O GLU A 30 -19.456 -22.809 4.760 1.00 16.66 O ATOM 450 CB GLU A 30 -19.330 -22.274 8.113 1.00 16.66 C ATOM 451 CG GLU A 30 -20.279 -21.952 9.272 1.00 16.66 C ATOM 452 CD GLU A 30 -19.555 -21.078 10.299 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.530 -21.498 10.784 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.039 -20.003 10.585 1.00 16.66 O ATOM 0 H GLU A 30 -19.982 -24.672 8.481 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.975 -22.547 6.757 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.469 -22.834 8.478 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.948 -21.352 7.675 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.163 -21.436 8.899 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.622 -22.874 9.741 1.00 16.66 H new ATOM 461 N LEU A 31 -18.111 -24.027 5.993 1.00 16.66 N ATOM 462 CA LEU A 31 -17.207 -24.266 4.835 1.00 16.66 C ATOM 463 C LEU A 31 -17.975 -25.022 3.755 1.00 16.66 C ATOM 464 O LEU A 31 -17.877 -24.725 2.581 1.00 16.66 O ATOM 465 CB LEU A 31 -16.003 -25.096 5.285 1.00 16.66 C ATOM 466 CG LEU A 31 -15.181 -25.509 4.063 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.805 -24.262 3.260 1.00 16.66 C ATOM 468 CD2 LEU A 31 -13.909 -26.226 4.520 1.00 16.66 C ATOM 0 H LEU A 31 -17.824 -24.465 6.868 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.855 -23.313 4.439 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.386 -24.518 5.973 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.340 -25.981 5.826 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.769 -26.181 3.438 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -14.219 -24.554 2.388 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -15.712 -23.752 2.934 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -14.216 -23.591 3.885 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.324 -26.520 3.649 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.318 -25.556 5.145 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.177 -27.114 5.093 1.00 16.66 H new ATOM 480 N GLY A 32 -18.748 -25.994 4.147 1.00 16.66 N ATOM 481 CA GLY A 32 -19.536 -26.766 3.149 1.00 16.66 C ATOM 482 C GLY A 32 -20.541 -25.832 2.481 1.00 16.66 C ATOM 483 O GLY A 32 -20.703 -25.835 1.277 1.00 16.66 O ATOM 0 H GLY A 32 -18.868 -26.287 5.116 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.873 -27.203 2.402 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.055 -27.592 3.636 1.00 16.66 H new ATOM 487 N GLU A 33 -21.218 -25.031 3.256 1.00 16.66 N ATOM 488 CA GLU A 33 -22.215 -24.095 2.669 1.00 16.66 C ATOM 489 C GLU A 33 -21.535 -23.221 1.619 1.00 16.66 C ATOM 490 O GLU A 33 -22.052 -23.016 0.540 1.00 16.66 O ATOM 491 CB GLU A 33 -22.799 -23.211 3.771 1.00 50.00 C ATOM 492 CG GLU A 33 -24.138 -23.789 4.232 1.00 50.00 C ATOM 493 CD GLU A 33 -24.888 -22.744 5.061 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.418 -21.619 5.124 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.918 -23.085 5.616 1.00 50.00 O ATOM 0 H GLU A 33 -21.123 -24.985 4.271 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.017 -24.666 2.202 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.107 -23.154 4.611 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -22.937 -22.195 3.402 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.736 -24.081 3.369 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.973 -24.689 4.825 1.00 50.00 H new ATOM 502 N ALA A 34 -20.373 -22.715 1.917 1.00 16.66 N ATOM 503 CA ALA A 34 -19.663 -21.871 0.921 1.00 16.66 C ATOM 504 C ALA A 34 -19.142 -22.776 -0.190 1.00 16.66 C ATOM 505 O ALA A 34 -19.176 -22.436 -1.356 1.00 16.66 O ATOM 506 CB ALA A 34 -18.492 -21.153 1.594 1.00 50.00 C ATOM 0 H ALA A 34 -19.886 -22.849 2.803 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.342 -21.124 0.509 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.974 -20.535 0.860 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.867 -20.522 2.400 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.800 -21.889 2.002 1.00 50.00 H new ATOM 512 N LEU A 35 -18.662 -23.933 0.169 1.00 99.99 N ATOM 513 CA LEU A 35 -18.138 -24.877 -0.853 1.00 99.99 C ATOM 514 C LEU A 35 -19.249 -25.218 -1.847 1.00 99.99 C ATOM 515 O LEU A 35 -18.999 -25.440 -3.015 1.00 99.99 O ATOM 516 CB LEU A 35 -17.657 -26.156 -0.166 1.00 99.99 C ATOM 517 CG LEU A 35 -16.137 -26.102 0.001 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.656 -27.364 0.718 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.475 -26.016 -1.376 1.00 99.99 C ATOM 0 H LEU A 35 -18.610 -24.266 1.132 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.305 -24.415 -1.383 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.137 -26.262 0.807 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.938 -27.027 -0.757 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.869 -25.225 0.590 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.573 -27.325 0.837 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.126 -27.427 1.699 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.925 -28.241 0.130 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.392 -25.977 -1.257 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.745 -26.893 -1.965 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.816 -25.116 -1.888 1.00 99.99 H new ATOM 531 N LYS A 36 -20.474 -25.262 -1.398 1.00 99.99 N ATOM 532 CA LYS A 36 -21.593 -25.590 -2.326 1.00 99.99 C ATOM 533 C LYS A 36 -21.423 -24.805 -3.627 1.00 99.99 C ATOM 534 O LYS A 36 -21.887 -25.211 -4.674 1.00 99.99 O ATOM 535 CB LYS A 36 -22.922 -25.212 -1.670 1.00 99.99 C ATOM 536 CG LYS A 36 -23.802 -26.456 -1.544 1.00 99.99 C ATOM 537 CD LYS A 36 -25.024 -26.132 -0.682 1.00 99.99 C ATOM 538 CE LYS A 36 -24.992 -26.981 0.590 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.155 -27.912 0.595 1.00 99.99 N ATOM 0 H LYS A 36 -20.748 -25.085 -0.431 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.586 -26.658 -2.545 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.743 -24.779 -0.686 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.430 -24.453 -2.265 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.119 -26.792 -2.531 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.234 -27.272 -1.097 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.030 -25.073 -0.425 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.939 -26.330 -1.241 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.061 -27.545 0.640 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.023 -26.338 1.470 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -26.134 -28.489 1.460 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -27.038 -27.364 0.566 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.106 -28.533 -0.238 1.00 99.99 H new ATOM 553 N THR A 37 -20.760 -23.683 -3.570 1.00 99.99 N ATOM 554 CA THR A 37 -20.560 -22.872 -4.801 1.00 99.99 C ATOM 555 C THR A 37 -19.965 -23.758 -5.897 1.00 99.99 C ATOM 556 O THR A 37 -20.119 -23.497 -7.073 1.00 99.99 O ATOM 557 CB THR A 37 -19.602 -21.717 -4.496 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.643 -20.776 -5.559 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.179 -22.256 -4.343 1.00 99.99 C ATOM 0 H THR A 37 -20.348 -23.293 -2.722 1.00 99.99 H new ATOM 0 HA THR A 37 -21.516 -22.470 -5.138 1.00 99.99 H new ATOM 0 HB THR A 37 -19.904 -21.231 -3.568 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.190 -19.952 -5.284 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.499 -21.432 -4.126 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.149 -22.976 -3.525 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.873 -22.744 -5.268 1.00 99.99 H new ATOM 567 N LEU A 38 -19.288 -24.805 -5.516 1.00 16.66 N ATOM 568 CA LEU A 38 -18.685 -25.712 -6.534 1.00 16.66 C ATOM 569 C LEU A 38 -19.788 -26.244 -7.448 1.00 16.66 C ATOM 570 O LEU A 38 -19.595 -26.427 -8.633 1.00 16.66 O ATOM 571 CB LEU A 38 -17.996 -26.884 -5.833 1.00 50.00 C ATOM 572 CG LEU A 38 -16.746 -26.385 -5.105 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.925 -27.582 -4.623 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.902 -25.539 -6.060 1.00 50.00 C ATOM 0 H LEU A 38 -19.126 -25.072 -4.545 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.951 -25.163 -7.124 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.680 -27.350 -5.124 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.724 -27.648 -6.562 1.00 50.00 H new ATOM 0 HG LEU A 38 -17.042 -25.779 -4.249 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.034 -27.227 -4.104 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.526 -28.185 -3.942 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.629 -28.188 -5.479 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -15.012 -25.184 -5.541 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.606 -26.144 -6.917 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.487 -24.686 -6.403 1.00 50.00 H new ATOM 586 N GLY A 39 -20.946 -26.490 -6.903 1.00 16.66 N ATOM 587 CA GLY A 39 -22.068 -27.007 -7.735 1.00 16.66 C ATOM 588 C GLY A 39 -21.819 -28.477 -8.080 1.00 16.66 C ATOM 589 O GLY A 39 -22.589 -29.096 -8.787 1.00 16.66 O ATOM 0 H GLY A 39 -21.164 -26.355 -5.916 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.010 -26.904 -7.197 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.157 -26.419 -8.648 1.00 16.66 H new ATOM 593 N SER A 40 -20.748 -29.043 -7.592 1.00 16.66 N ATOM 594 CA SER A 40 -20.458 -30.471 -7.900 1.00 16.66 C ATOM 595 C SER A 40 -19.581 -31.069 -6.800 1.00 16.66 C ATOM 596 O SER A 40 -18.544 -31.645 -7.065 1.00 16.66 O ATOM 597 CB SER A 40 -19.724 -30.559 -9.239 1.00 16.66 C ATOM 598 OG SER A 40 -20.624 -31.001 -10.245 1.00 16.66 O ATOM 0 H SER A 40 -20.064 -28.579 -6.995 1.00 16.66 H new ATOM 0 HA SER A 40 -21.394 -31.027 -7.956 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.314 -29.585 -9.506 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.883 -31.248 -9.160 1.00 16.66 H new ATOM 0 HG SER A 40 -21.499 -30.580 -10.109 1.00 16.66 H new ATOM 604 N ILE A 41 -19.985 -30.941 -5.565 1.00 16.66 N ATOM 605 CA ILE A 41 -19.167 -31.508 -4.456 1.00 16.66 C ATOM 606 C ILE A 41 -20.083 -32.216 -3.452 1.00 16.66 C ATOM 607 O ILE A 41 -21.292 -32.130 -3.529 1.00 16.66 O ATOM 608 CB ILE A 41 -18.395 -30.377 -3.760 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.180 -30.961 -3.034 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.297 -29.666 -2.744 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.197 -29.836 -2.698 1.00 16.66 C ATOM 0 H ILE A 41 -20.843 -30.470 -5.277 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.456 -32.230 -4.858 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.068 -29.658 -4.511 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.496 -31.467 -2.122 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.693 -31.709 -3.660 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.738 -28.867 -2.258 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.161 -29.244 -3.257 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.634 -30.381 -1.994 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.332 -30.251 -2.181 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.872 -29.350 -3.618 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.687 -29.105 -2.055 1.00 16.66 H new ATOM 623 N THR A 42 -19.510 -32.908 -2.507 1.00 16.66 N ATOM 624 CA THR A 42 -20.337 -33.616 -1.491 1.00 16.66 C ATOM 625 C THR A 42 -19.893 -33.172 -0.102 1.00 16.66 C ATOM 626 O THR A 42 -18.839 -32.590 0.063 1.00 16.66 O ATOM 627 CB THR A 42 -20.150 -35.140 -1.615 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.350 -35.613 -0.539 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.465 -35.483 -2.939 1.00 16.66 C ATOM 0 H THR A 42 -18.502 -33.014 -2.394 1.00 16.66 H new ATOM 0 HA THR A 42 -21.388 -33.374 -1.652 1.00 16.66 H new ATOM 0 HB THR A 42 -21.130 -35.617 -1.584 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.729 -36.296 -0.869 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.339 -36.563 -3.014 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.079 -35.131 -3.768 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.489 -35.000 -2.979 1.00 16.66 H new ATOM 637 N PRO A 43 -20.701 -33.473 0.919 1.00 16.66 N ATOM 638 CA PRO A 43 -20.371 -33.122 2.298 1.00 16.66 C ATOM 639 C PRO A 43 -19.187 -33.953 2.784 1.00 16.66 C ATOM 640 O PRO A 43 -18.371 -33.505 3.564 1.00 16.66 O ATOM 641 CB PRO A 43 -21.635 -33.488 3.075 1.00 50.00 C ATOM 642 CG PRO A 43 -22.294 -34.535 2.241 1.00 50.00 C ATOM 643 CD PRO A 43 -21.989 -34.178 0.814 1.00 50.00 C ATOM 0 HA PRO A 43 -20.088 -32.076 2.418 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.395 -33.865 4.069 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.283 -32.622 3.210 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -21.913 -35.526 2.486 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.369 -34.555 2.417 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.914 -35.064 0.183 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.763 -33.543 0.382 1.00 50.00 H new ATOM 651 N ASP A 44 -19.096 -35.171 2.324 1.00 16.66 N ATOM 652 CA ASP A 44 -17.975 -36.053 2.749 1.00 16.66 C ATOM 653 C ASP A 44 -16.642 -35.449 2.312 1.00 16.66 C ATOM 654 O ASP A 44 -15.626 -35.652 2.947 1.00 16.66 O ATOM 655 CB ASP A 44 -18.143 -37.433 2.110 1.00 50.00 C ATOM 656 CG ASP A 44 -19.346 -38.142 2.733 1.00 50.00 C ATOM 657 OD1 ASP A 44 -19.843 -37.654 3.734 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.752 -39.160 2.197 1.00 50.00 O ATOM 0 H ASP A 44 -19.754 -35.594 1.669 1.00 16.66 H new ATOM 0 HA ASP A 44 -17.986 -36.148 3.835 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.284 -37.332 1.034 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.241 -38.026 2.259 1.00 50.00 H new ATOM 663 N GLU A 45 -16.627 -34.701 1.243 1.00 16.66 N ATOM 664 CA GLU A 45 -15.349 -34.089 0.793 1.00 16.66 C ATOM 665 C GLU A 45 -15.109 -32.826 1.612 1.00 16.66 C ATOM 666 O GLU A 45 -13.993 -32.500 1.964 1.00 16.66 O ATOM 667 CB GLU A 45 -15.444 -33.732 -0.692 1.00 16.66 C ATOM 668 CG GLU A 45 -15.509 -35.018 -1.519 1.00 16.66 C ATOM 669 CD GLU A 45 -15.246 -34.693 -2.992 1.00 16.66 C ATOM 670 OE1 GLU A 45 -14.838 -33.576 -3.268 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.459 -35.565 -3.818 1.00 16.66 O ATOM 0 H GLU A 45 -17.441 -34.489 0.666 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.526 -34.789 0.934 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.329 -33.123 -0.875 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.581 -33.137 -0.991 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -14.771 -35.734 -1.156 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.488 -35.485 -1.408 1.00 16.66 H new ATOM 678 N VAL A 46 -16.158 -32.121 1.927 1.00 16.66 N ATOM 679 CA VAL A 46 -16.006 -30.883 2.737 1.00 16.66 C ATOM 680 C VAL A 46 -15.567 -31.265 4.149 1.00 16.66 C ATOM 681 O VAL A 46 -14.779 -30.583 4.774 1.00 16.66 O ATOM 682 CB VAL A 46 -17.343 -30.143 2.798 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.253 -28.998 3.810 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.665 -29.581 1.415 1.00 50.00 C ATOM 0 H VAL A 46 -17.115 -32.349 1.658 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.258 -30.233 2.282 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.129 -30.831 3.108 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.207 -28.473 3.851 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.018 -29.401 4.795 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.470 -28.304 3.505 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.617 -29.052 1.450 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.878 -28.892 1.110 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.730 -30.398 0.696 1.00 50.00 H new ATOM 694 N LYS A 47 -16.067 -32.359 4.652 1.00 16.66 N ATOM 695 CA LYS A 47 -15.674 -32.795 6.019 1.00 16.66 C ATOM 696 C LYS A 47 -14.209 -33.230 5.995 1.00 16.66 C ATOM 697 O LYS A 47 -13.456 -32.967 6.910 1.00 16.66 O ATOM 698 CB LYS A 47 -16.552 -33.968 6.457 1.00 16.66 C ATOM 699 CG LYS A 47 -17.940 -33.450 6.843 1.00 16.66 C ATOM 700 CD LYS A 47 -18.764 -34.591 7.443 1.00 16.66 C ATOM 701 CE LYS A 47 -20.211 -34.131 7.630 1.00 50.00 C ATOM 702 NZ LYS A 47 -20.871 -34.974 8.668 1.00 50.00 N ATOM 0 H LYS A 47 -16.731 -32.969 4.175 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.804 -31.972 6.722 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.635 -34.695 5.649 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.096 -34.482 7.303 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -17.849 -32.636 7.562 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.445 -33.045 5.966 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.730 -35.462 6.789 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.341 -34.895 8.401 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.235 -33.083 7.928 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.752 -34.206 6.687 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -21.855 -34.661 8.795 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.860 -35.969 8.365 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.359 -34.880 9.568 1.00 50.00 H new ATOM 716 N HIS A 48 -13.802 -33.888 4.947 1.00 16.66 N ATOM 717 CA HIS A 48 -12.388 -34.336 4.850 1.00 16.66 C ATOM 718 C HIS A 48 -11.476 -33.113 4.754 1.00 16.66 C ATOM 719 O HIS A 48 -10.415 -33.069 5.345 1.00 16.66 O ATOM 720 CB HIS A 48 -12.209 -35.203 3.604 1.00 16.66 C ATOM 721 CG HIS A 48 -10.762 -35.587 3.467 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.097 -35.547 2.252 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.840 -36.021 4.386 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.830 -35.946 2.470 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.619 -36.247 3.754 1.00 50.00 N ATOM 0 H HIS A 48 -14.390 -34.135 4.151 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.129 -34.918 5.735 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.829 -36.097 3.677 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.538 -34.659 2.719 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -10.032 -36.165 5.439 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.076 -36.014 1.700 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.751 -36.572 4.180 1.00 50.00 H new ATOM 733 N MET A 49 -11.882 -32.111 4.019 1.00 16.66 N ATOM 734 CA MET A 49 -11.037 -30.895 3.897 1.00 16.66 C ATOM 735 C MET A 49 -10.819 -30.305 5.287 1.00 16.66 C ATOM 736 O MET A 49 -9.724 -29.928 5.654 1.00 16.66 O ATOM 737 CB MET A 49 -11.744 -29.870 3.011 1.00 16.66 C ATOM 738 CG MET A 49 -11.384 -30.126 1.547 1.00 16.66 C ATOM 739 SD MET A 49 -11.406 -28.562 0.638 1.00 16.66 S ATOM 740 CE MET A 49 -12.366 -29.140 -0.783 1.00 16.66 C ATOM 0 H MET A 49 -12.760 -32.085 3.501 1.00 16.66 H new ATOM 0 HA MET A 49 -10.077 -31.153 3.450 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.823 -29.938 3.148 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.449 -28.861 3.298 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.398 -30.585 1.479 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.092 -30.826 1.104 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.503 -28.320 -1.487 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.834 -29.955 -1.274 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.340 -29.494 -0.445 1.00 16.66 H new ATOM 750 N MET A 50 -11.860 -30.226 6.065 1.00 16.66 N ATOM 751 CA MET A 50 -11.726 -29.667 7.436 1.00 16.66 C ATOM 752 C MET A 50 -10.780 -30.549 8.246 1.00 16.66 C ATOM 753 O MET A 50 -9.869 -30.074 8.892 1.00 16.66 O ATOM 754 CB MET A 50 -13.099 -29.635 8.105 1.00 16.66 C ATOM 755 CG MET A 50 -13.783 -28.305 7.792 1.00 16.66 C ATOM 756 SD MET A 50 -15.189 -28.078 8.906 1.00 16.66 S ATOM 757 CE MET A 50 -14.256 -27.454 10.325 1.00 50.00 C ATOM 0 H MET A 50 -12.801 -30.526 5.809 1.00 16.66 H new ATOM 0 HA MET A 50 -11.326 -28.654 7.386 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.710 -30.464 7.748 1.00 16.66 H new ATOM 0 HB3 MET A 50 -12.994 -29.758 9.183 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.076 -27.483 7.908 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.120 -28.291 6.755 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.899 -26.816 10.932 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.905 -28.292 10.927 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.401 -26.877 9.973 1.00 50.00 H new ATOM 767 N ALA A 51 -10.986 -31.833 8.211 1.00 16.66 N ATOM 768 CA ALA A 51 -10.094 -32.751 8.974 1.00 16.66 C ATOM 769 C ALA A 51 -8.651 -32.544 8.513 1.00 16.66 C ATOM 770 O ALA A 51 -7.711 -32.885 9.202 1.00 16.66 O ATOM 771 CB ALA A 51 -10.511 -34.202 8.715 1.00 50.00 C ATOM 0 H ALA A 51 -11.733 -32.289 7.687 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.173 -32.539 10.040 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.858 -34.873 9.273 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.542 -34.347 9.037 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.430 -34.419 7.650 1.00 50.00 H new ATOM 777 N GLU A 52 -8.471 -31.982 7.348 1.00 16.66 N ATOM 778 CA GLU A 52 -7.092 -31.745 6.837 1.00 16.66 C ATOM 779 C GLU A 52 -6.688 -30.301 7.132 1.00 16.66 C ATOM 780 O GLU A 52 -5.550 -30.011 7.443 1.00 16.66 O ATOM 781 CB GLU A 52 -7.057 -31.987 5.328 1.00 16.66 C ATOM 782 CG GLU A 52 -6.945 -33.487 5.055 1.00 16.66 C ATOM 783 CD GLU A 52 -6.452 -33.710 3.623 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.342 -32.735 2.898 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.195 -34.851 3.276 1.00 16.66 O ATOM 0 H GLU A 52 -9.221 -31.677 6.728 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.398 -32.427 7.327 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.959 -31.588 4.864 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.211 -31.462 4.884 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.256 -33.946 5.764 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.914 -33.966 5.196 1.00 16.66 H new ATOM 792 N ILE A 53 -7.619 -29.394 7.040 1.00 16.66 N ATOM 793 CA ILE A 53 -7.308 -27.968 7.317 1.00 16.66 C ATOM 794 C ILE A 53 -7.307 -27.728 8.826 1.00 16.66 C ATOM 795 O ILE A 53 -6.574 -26.906 9.337 1.00 16.66 O ATOM 796 CB ILE A 53 -8.374 -27.095 6.664 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.356 -27.321 5.154 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.083 -25.629 6.973 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.500 -26.540 4.508 1.00 50.00 C ATOM 0 H ILE A 53 -8.588 -29.582 6.783 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.326 -27.719 6.914 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.357 -27.357 7.055 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.401 -26.998 4.739 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.457 -28.384 4.933 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.843 -25.001 6.508 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.096 -25.475 8.052 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.102 -25.362 6.580 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.487 -26.701 3.430 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.451 -26.884 4.915 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.379 -25.477 4.717 1.00 50.00 H new ATOM 811 N ASP A 54 -8.123 -28.448 9.541 1.00 16.66 N ATOM 812 CA ASP A 54 -8.183 -28.284 11.016 1.00 16.66 C ATOM 813 C ASP A 54 -6.816 -28.634 11.611 1.00 16.66 C ATOM 814 O ASP A 54 -6.463 -29.788 11.749 1.00 16.66 O ATOM 815 CB ASP A 54 -9.252 -29.234 11.558 1.00 16.66 C ATOM 816 CG ASP A 54 -9.807 -28.705 12.882 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.333 -27.678 13.333 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.702 -29.335 13.419 1.00 16.66 O ATOM 0 H ASP A 54 -8.757 -29.151 9.161 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.433 -27.257 11.283 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.059 -29.337 10.832 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.826 -30.227 11.704 1.00 16.66 H new ATOM 823 N THR A 55 -6.037 -27.642 11.946 1.00 16.66 N ATOM 824 CA THR A 55 -4.683 -27.907 12.512 1.00 16.66 C ATOM 825 C THR A 55 -4.798 -28.541 13.898 1.00 16.66 C ATOM 826 O THR A 55 -4.113 -29.495 14.211 1.00 16.66 O ATOM 827 CB THR A 55 -3.915 -26.588 12.619 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.695 -25.647 13.345 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.632 -26.048 11.217 1.00 50.00 C ATOM 0 H THR A 55 -6.281 -26.656 11.852 1.00 16.66 H new ATOM 0 HA THR A 55 -4.153 -28.596 11.854 1.00 16.66 H new ATOM 0 HB THR A 55 -2.971 -26.755 13.138 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.641 -25.899 13.296 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.085 -25.108 11.293 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.035 -26.772 10.662 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.574 -25.878 10.695 1.00 50.00 H new ATOM 837 N ASP A 56 -5.649 -28.022 14.733 1.00 16.66 N ATOM 838 CA ASP A 56 -5.792 -28.601 16.101 1.00 16.66 C ATOM 839 C ASP A 56 -6.841 -29.715 16.081 1.00 16.66 C ATOM 840 O ASP A 56 -6.662 -30.765 16.665 1.00 16.66 O ATOM 841 CB ASP A 56 -6.215 -27.502 17.083 1.00 16.66 C ATOM 842 CG ASP A 56 -7.711 -27.221 16.933 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.086 -26.621 15.940 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.456 -27.616 17.813 1.00 16.66 O ATOM 0 H ASP A 56 -6.252 -27.224 14.532 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.836 -29.017 16.420 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -5.994 -27.810 18.105 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.644 -26.593 16.894 1.00 16.66 H new ATOM 849 N GLY A 57 -7.931 -29.492 15.404 1.00 16.66 N ATOM 850 CA GLY A 57 -8.989 -30.537 15.335 1.00 16.66 C ATOM 851 C GLY A 57 -10.168 -30.156 16.236 1.00 16.66 C ATOM 852 O GLY A 57 -10.857 -31.010 16.758 1.00 16.66 O ATOM 0 H GLY A 57 -8.136 -28.632 14.895 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.330 -30.652 14.306 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.581 -31.499 15.645 1.00 16.66 H new ATOM 856 N ASP A 58 -10.418 -28.886 16.420 1.00 16.66 N ATOM 857 CA ASP A 58 -11.566 -28.482 17.281 1.00 16.66 C ATOM 858 C ASP A 58 -12.859 -28.559 16.466 1.00 16.66 C ATOM 859 O ASP A 58 -13.939 -28.333 16.974 1.00 16.66 O ATOM 860 CB ASP A 58 -11.366 -27.051 17.791 1.00 50.00 C ATOM 861 CG ASP A 58 -11.526 -26.062 16.635 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.968 -26.319 15.581 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.199 -25.064 16.824 1.00 50.00 O ATOM 0 H ASP A 58 -9.882 -28.118 16.015 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.627 -29.156 18.136 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.091 -26.830 18.574 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.376 -26.948 18.235 1.00 50.00 H new ATOM 868 N GLY A 59 -12.757 -28.883 15.205 1.00 16.66 N ATOM 869 CA GLY A 59 -13.978 -28.981 14.359 1.00 16.66 C ATOM 870 C GLY A 59 -14.154 -27.693 13.552 1.00 16.66 C ATOM 871 O GLY A 59 -15.084 -27.557 12.783 1.00 16.66 O ATOM 0 H GLY A 59 -11.880 -29.084 14.725 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.898 -29.835 13.686 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.853 -29.151 14.986 1.00 16.66 H new ATOM 875 N PHE A 60 -13.277 -26.740 13.726 1.00 16.66 N ATOM 876 CA PHE A 60 -13.419 -25.466 12.966 1.00 16.66 C ATOM 877 C PHE A 60 -12.067 -24.983 12.433 1.00 16.66 C ATOM 878 O PHE A 60 -11.004 -25.286 12.970 1.00 16.66 O ATOM 879 CB PHE A 60 -13.994 -24.378 13.872 1.00 50.00 C ATOM 880 CG PHE A 60 -15.241 -24.872 14.558 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.467 -24.846 13.884 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.175 -25.344 15.873 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.626 -25.293 14.524 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.335 -25.790 16.515 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.561 -25.765 15.840 1.00 50.00 C ATOM 0 H PHE A 60 -12.476 -26.788 14.356 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.088 -25.658 12.127 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.253 -24.086 14.616 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.222 -23.489 13.284 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.517 -24.480 12.869 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.228 -25.364 16.393 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.572 -25.274 14.003 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.285 -26.153 17.531 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.457 -26.110 16.335 1.00 50.00 H new ATOM 895 N ILE A 61 -12.111 -24.203 11.385 1.00 16.66 N ATOM 896 CA ILE A 61 -10.869 -23.651 10.799 1.00 16.66 C ATOM 897 C ILE A 61 -10.833 -22.146 11.083 1.00 16.66 C ATOM 898 O ILE A 61 -11.784 -21.437 10.821 1.00 16.66 O ATOM 899 CB ILE A 61 -10.873 -23.878 9.286 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.224 -25.338 8.987 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.490 -23.557 8.720 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.220 -26.259 9.682 1.00 16.66 C ATOM 0 H ILE A 61 -12.969 -23.925 10.909 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.998 -24.142 11.233 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.615 -23.227 8.823 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.234 -25.558 9.332 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.210 -25.513 7.911 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.492 -23.718 7.642 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.243 -22.516 8.931 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.748 -24.207 9.183 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.471 -27.298 9.468 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.216 -26.045 9.315 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.257 -26.091 10.758 1.00 16.66 H new ATOM 914 N SER A 62 -9.750 -21.650 11.607 1.00 16.66 N ATOM 915 CA SER A 62 -9.666 -20.195 11.894 1.00 16.66 C ATOM 916 C SER A 62 -8.922 -19.510 10.751 1.00 16.66 C ATOM 917 O SER A 62 -8.325 -20.156 9.913 1.00 16.66 O ATOM 918 CB SER A 62 -8.907 -19.971 13.204 1.00 16.66 C ATOM 919 OG SER A 62 -8.159 -21.134 13.522 1.00 16.66 O ATOM 0 H SER A 62 -8.919 -22.190 11.849 1.00 16.66 H new ATOM 0 HA SER A 62 -10.669 -19.779 11.987 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.242 -19.113 13.109 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.607 -19.745 14.008 1.00 16.66 H new ATOM 0 HG SER A 62 -7.672 -20.990 14.360 1.00 16.66 H new ATOM 925 N PHE A 63 -8.952 -18.211 10.702 1.00 16.66 N ATOM 926 CA PHE A 63 -8.243 -17.506 9.605 1.00 16.66 C ATOM 927 C PHE A 63 -6.787 -17.957 9.594 1.00 16.66 C ATOM 928 O PHE A 63 -6.211 -18.223 8.558 1.00 16.66 O ATOM 929 CB PHE A 63 -8.306 -15.997 9.830 1.00 16.66 C ATOM 930 CG PHE A 63 -7.575 -15.311 8.706 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.920 -15.595 7.381 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.550 -14.401 8.984 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.242 -14.968 6.332 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.871 -13.773 7.935 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.218 -14.057 6.608 1.00 16.66 C ATOM 0 H PHE A 63 -9.434 -17.610 11.370 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.716 -17.742 8.652 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.343 -15.663 9.866 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.855 -15.738 10.788 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.711 -16.299 7.168 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.283 -14.183 10.008 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.509 -15.187 5.309 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.080 -13.070 8.148 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.694 -13.572 5.798 1.00 16.66 H new ATOM 945 N GLN A 64 -6.192 -18.051 10.747 1.00 16.66 N ATOM 946 CA GLN A 64 -4.776 -18.489 10.826 1.00 16.66 C ATOM 947 C GLN A 64 -4.653 -19.904 10.254 1.00 16.66 C ATOM 948 O GLN A 64 -3.778 -20.189 9.460 1.00 16.66 O ATOM 949 CB GLN A 64 -4.341 -18.487 12.289 1.00 16.66 C ATOM 950 CG GLN A 64 -2.833 -18.730 12.377 1.00 16.66 C ATOM 951 CD GLN A 64 -2.087 -17.497 11.860 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.248 -16.412 12.381 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.272 -17.620 10.848 1.00 50.00 N ATOM 0 H GLN A 64 -6.630 -17.841 11.644 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.142 -17.813 10.253 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.593 -17.533 12.753 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.877 -19.261 12.839 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.546 -18.936 13.408 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.560 -19.607 11.789 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.136 -18.531 10.410 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.771 -16.805 10.495 1.00 50.00 H new ATOM 962 N GLU A 65 -5.527 -20.791 10.649 1.00 16.66 N ATOM 963 CA GLU A 65 -5.466 -22.184 10.127 1.00 16.66 C ATOM 964 C GLU A 65 -5.664 -22.162 8.612 1.00 16.66 C ATOM 965 O GLU A 65 -4.929 -22.780 7.867 1.00 16.66 O ATOM 966 CB GLU A 65 -6.576 -23.015 10.772 1.00 16.66 C ATOM 967 CG GLU A 65 -6.174 -23.409 12.196 1.00 16.66 C ATOM 968 CD GLU A 65 -7.284 -24.259 12.827 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.428 -24.045 12.496 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.971 -25.108 13.630 1.00 16.66 O ATOM 0 H GLU A 65 -6.281 -20.609 11.312 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.497 -22.624 10.364 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.504 -22.444 10.792 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.764 -23.909 10.178 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.239 -23.968 12.179 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -6.000 -22.516 12.796 1.00 16.66 H new ATOM 977 N PHE A 66 -6.657 -21.454 8.151 1.00 16.66 N ATOM 978 CA PHE A 66 -6.909 -21.389 6.684 1.00 16.66 C ATOM 979 C PHE A 66 -5.698 -20.773 5.987 1.00 16.66 C ATOM 980 O PHE A 66 -5.327 -21.165 4.898 1.00 16.66 O ATOM 981 CB PHE A 66 -8.144 -20.527 6.418 1.00 16.66 C ATOM 982 CG PHE A 66 -8.450 -20.529 4.940 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.863 -19.572 4.101 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.321 -21.486 4.408 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.148 -19.575 2.730 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.606 -21.489 3.037 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.020 -20.532 2.198 1.00 16.66 C ATOM 0 H PHE A 66 -7.305 -20.917 8.727 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.077 -22.394 6.298 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.997 -20.912 6.977 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.970 -19.508 6.763 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.191 -18.833 4.512 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.774 -22.223 5.055 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.695 -18.839 2.083 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.277 -22.229 2.626 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.241 -20.533 1.141 1.00 16.66 H new ATOM 997 N THR A 67 -5.076 -19.811 6.607 1.00 16.66 N ATOM 998 CA THR A 67 -3.887 -19.169 5.985 1.00 16.66 C ATOM 999 C THR A 67 -2.754 -20.192 5.883 1.00 16.66 C ATOM 1000 O THR A 67 -2.126 -20.335 4.853 1.00 16.66 O ATOM 1001 CB THR A 67 -3.432 -17.989 6.849 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.401 -16.951 6.776 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.085 -17.471 6.343 1.00 50.00 C ATOM 0 H THR A 67 -5.341 -19.441 7.520 1.00 16.66 H new ATOM 0 HA THR A 67 -4.146 -18.810 4.989 1.00 16.66 H new ATOM 0 HB THR A 67 -3.325 -18.315 7.884 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.167 -17.179 7.343 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.763 -16.631 6.959 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.344 -18.268 6.400 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.186 -17.144 5.308 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.491 -20.907 6.941 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.399 -21.921 6.901 1.00 25.00 C ATOM 1013 C ASP A 68 -1.714 -22.972 5.837 1.00 25.00 C ATOM 1014 O ASP A 68 -0.842 -23.434 5.127 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.278 -22.598 8.268 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.806 -21.576 9.305 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.261 -20.562 8.901 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -0.998 -21.825 10.483 1.00 50.00 O ATOM 0 H ASP A 68 -2.984 -20.834 7.831 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.458 -21.429 6.656 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.240 -23.015 8.565 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.574 -23.428 8.213 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.955 -23.354 5.716 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.327 -24.371 4.697 1.00 25.00 C ATOM 1025 C PHE A 69 -3.372 -23.697 3.321 1.00 25.00 C ATOM 1026 O PHE A 69 -2.963 -24.265 2.327 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.696 -24.972 5.071 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.508 -25.253 3.831 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.158 -24.202 3.183 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.602 -26.555 3.330 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.906 -24.449 2.027 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.349 -26.805 2.174 1.00 50.00 C ATOM 1033 CZ PHE A 69 -7.002 -25.752 1.522 1.00 50.00 C ATOM 0 H PHE A 69 -3.729 -23.004 6.281 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.594 -25.177 4.664 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.553 -25.893 5.635 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.238 -24.282 5.719 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -6.084 -23.198 3.574 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.099 -27.366 3.835 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.409 -23.636 1.524 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.422 -27.810 1.785 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.580 -25.944 0.630 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.857 -22.490 3.259 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.919 -21.781 1.951 1.00 16.66 C ATOM 1045 C GLY A 70 -2.501 -21.642 1.394 1.00 16.66 C ATOM 1046 O GLY A 70 -2.287 -21.660 0.198 1.00 16.66 O ATOM 0 H GLY A 70 -4.213 -21.963 4.057 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.546 -22.334 1.252 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.373 -20.798 2.076 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.532 -21.507 2.257 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.125 -21.373 1.788 1.00 25.00 C ATOM 1052 C ARG A 71 0.350 -22.712 1.233 1.00 25.00 C ATOM 1053 O ARG A 71 1.119 -22.775 0.295 1.00 25.00 O ATOM 1054 CB ARG A 71 0.763 -20.969 2.964 1.00 50.00 C ATOM 1055 CG ARG A 71 0.348 -19.584 3.457 1.00 50.00 C ATOM 1056 CD ARG A 71 0.959 -19.326 4.834 1.00 50.00 C ATOM 1057 NE ARG A 71 2.385 -18.943 4.668 1.00 50.00 N ATOM 1058 CZ ARG A 71 3.111 -18.652 5.711 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.556 -17.436 5.879 1.00 50.00 N ATOM 1060 NH2 ARG A 71 3.394 -19.577 6.588 1.00 50.00 N ATOM 0 H ARG A 71 -1.655 -21.484 3.269 1.00 25.00 H new ATOM 0 HA ARG A 71 -0.069 -20.613 1.009 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.672 -21.697 3.770 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.809 -20.961 2.659 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.680 -18.822 2.752 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.739 -19.517 3.512 1.00 50.00 H new ATOM 0 HD2 ARG A 71 0.413 -18.533 5.345 1.00 50.00 H new ATOM 0 HD3 ARG A 71 0.879 -20.219 5.454 1.00 50.00 H new ATOM 0 HE ARG A 71 2.797 -18.908 3.736 1.00 50.00 H new ATOM 0 HH11 ARG A 71 3.336 -16.713 5.194 1.00 50.00 H new ATOM 0 HH12 ARG A 71 4.124 -17.209 6.695 1.00 50.00 H new ATOM 0 HH21 ARG A 71 3.047 -20.527 6.457 1.00 50.00 H new ATOM 0 HH22 ARG A 71 3.962 -19.349 7.404 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.108 -23.786 1.810 1.00 25.00 N ATOM 1075 CA ALA A 72 0.307 -25.131 1.325 1.00 25.00 C ATOM 1076 C ALA A 72 -0.533 -25.516 0.104 1.00 25.00 C ATOM 1077 O ALA A 72 -0.312 -26.538 -0.515 1.00 25.00 O ATOM 1078 CB ALA A 72 0.088 -26.160 2.437 1.00 50.00 C ATOM 0 H ALA A 72 -0.754 -23.791 2.599 1.00 25.00 H new ATOM 0 HA ALA A 72 1.361 -25.109 1.048 1.00 25.00 H new ATOM 0 HB1 ALA A 72 0.391 -27.146 2.085 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.684 -25.887 3.308 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -0.967 -26.181 2.711 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.493 -24.704 -0.249 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.343 -25.020 -1.426 1.00 25.00 C ATOM 1086 C ASN A 73 -2.813 -23.712 -2.059 1.00 25.00 C ATOM 1087 O ASN A 73 -3.971 -23.543 -2.381 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.552 -25.841 -0.974 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.085 -27.223 -0.516 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.790 -28.078 -1.327 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.006 -27.479 0.761 1.00 50.00 N ATOM 0 H ASN A 73 -1.723 -23.834 0.230 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.773 -25.597 -2.155 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.068 -25.331 -0.160 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -4.266 -25.939 -1.792 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -2.696 -28.397 1.079 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -3.254 -26.761 1.441 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.915 -22.785 -2.239 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.301 -21.486 -2.853 1.00 25.00 C ATOM 1100 C ARG A 74 -2.963 -21.763 -4.196 1.00 25.00 C ATOM 1101 O ARG A 74 -4.025 -21.256 -4.499 1.00 25.00 O ATOM 1102 CB ARG A 74 -1.054 -20.626 -3.060 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.452 -20.266 -1.700 1.00 25.00 C ATOM 1104 CD ARG A 74 0.591 -19.162 -1.881 1.00 25.00 C ATOM 1105 NE ARG A 74 1.611 -19.602 -2.872 1.00 25.00 N ATOM 1106 CZ ARG A 74 2.479 -18.747 -3.340 1.00 50.00 C ATOM 1107 NH1 ARG A 74 2.109 -17.526 -3.611 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.716 -19.114 -3.538 1.00 50.00 N ATOM 0 H ARG A 74 -0.930 -22.871 -1.987 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.993 -20.954 -2.200 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.323 -21.165 -3.662 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -1.311 -19.719 -3.608 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -1.236 -19.933 -1.020 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.008 -21.146 -1.250 1.00 25.00 H new ATOM 0 HD2 ARG A 74 0.110 -18.245 -2.221 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.068 -18.937 -0.927 1.00 25.00 H new ATOM 0 HE ARG A 74 1.632 -20.572 -3.186 1.00 25.00 H new ATOM 0 HH11 ARG A 74 1.142 -17.240 -3.457 1.00 50.00 H new ATOM 0 HH12 ARG A 74 2.787 -16.857 -3.977 1.00 50.00 H new ATOM 0 HH21 ARG A 74 4.005 -20.069 -3.327 1.00 50.00 H new ATOM 0 HH22 ARG A 74 4.394 -18.445 -3.904 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.342 -22.573 -5.000 1.00 25.00 N ATOM 1123 CA GLY A 75 -2.925 -22.902 -6.325 1.00 25.00 C ATOM 1124 C GLY A 75 -4.358 -23.398 -6.133 1.00 25.00 C ATOM 1125 O GLY A 75 -5.181 -23.307 -7.023 1.00 25.00 O ATOM 0 H GLY A 75 -1.450 -23.024 -4.795 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -2.915 -22.023 -6.969 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.326 -23.666 -6.820 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.665 -23.923 -4.978 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.046 -24.421 -4.734 1.00 25.00 C ATOM 1131 C LEU A 76 -6.964 -23.239 -4.430 1.00 25.00 C ATOM 1132 O LEU A 76 -8.065 -23.146 -4.938 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.038 -25.383 -3.543 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.351 -26.688 -3.948 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -3.839 -26.470 -4.050 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -5.640 -27.763 -2.897 1.00 50.00 C ATOM 0 H LEU A 76 -4.020 -24.028 -4.195 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.408 -24.944 -5.619 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.516 -24.931 -2.700 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.058 -25.583 -3.216 1.00 25.00 H new ATOM 0 HG LEU A 76 -5.734 -27.009 -4.917 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -3.356 -27.403 -4.339 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -3.631 -25.707 -4.800 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -3.452 -26.145 -3.084 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -5.151 -28.694 -3.184 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -5.259 -27.437 -1.929 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.716 -27.925 -2.828 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.519 -22.337 -3.604 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.362 -21.159 -3.259 1.00 25.00 C ATOM 1150 C LEU A 77 -7.676 -20.370 -4.529 1.00 25.00 C ATOM 1151 O LEU A 77 -8.773 -19.884 -4.715 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.610 -20.265 -2.272 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.501 -20.977 -0.922 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -6.011 -19.990 0.141 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.874 -21.520 -0.520 1.00 50.00 C ATOM 0 H LEU A 77 -5.605 -22.364 -3.151 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.292 -21.497 -2.803 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.616 -20.036 -2.656 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.132 -19.316 -2.154 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.793 -21.802 -1.004 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.934 -20.499 1.102 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -5.033 -19.604 -0.145 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.717 -19.164 0.223 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -7.797 -22.027 0.442 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -8.582 -20.695 -0.440 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -8.222 -22.225 -1.275 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.723 -20.241 -5.404 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.967 -19.485 -6.664 1.00 25.00 C ATOM 1169 C LYS A 78 -8.164 -20.094 -7.396 1.00 25.00 C ATOM 1170 O LYS A 78 -8.865 -19.425 -8.128 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.730 -19.573 -7.556 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.572 -18.820 -6.901 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.382 -18.772 -7.863 1.00 50.00 C ATOM 1174 CE LYS A 78 -3.867 -18.355 -9.253 1.00 50.00 C ATOM 1175 NZ LYS A 78 -2.727 -17.788 -10.029 1.00 50.00 N ATOM 0 H LYS A 78 -5.784 -20.626 -5.303 1.00 25.00 H new ATOM 0 HA LYS A 78 -7.174 -18.441 -6.429 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.456 -20.616 -7.714 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.945 -19.148 -8.537 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.883 -17.808 -6.641 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.283 -19.313 -5.973 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -2.635 -18.066 -7.500 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.900 -19.749 -7.912 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -4.285 -19.215 -9.777 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -4.664 -17.617 -9.165 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -3.057 -17.505 -10.974 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -2.347 -16.957 -9.531 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.981 -18.506 -10.124 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.397 -21.363 -7.206 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.545 -22.021 -7.893 1.00 25.00 C ATOM 1191 C ASP A 79 -10.853 -21.627 -7.207 1.00 25.00 C ATOM 1192 O ASP A 79 -11.859 -21.403 -7.850 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.372 -23.540 -7.828 1.00 25.00 C ATOM 1194 CG ASP A 79 -10.547 -24.217 -8.538 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -11.299 -23.518 -9.196 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -10.673 -25.424 -8.411 1.00 50.00 O ATOM 0 H ASP A 79 -7.843 -21.973 -6.605 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.575 -21.700 -8.934 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.433 -23.830 -8.298 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.323 -23.867 -6.789 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.849 -21.543 -5.906 1.00 25.00 N ATOM 1202 CA VAL A 80 -12.096 -21.167 -5.181 1.00 25.00 C ATOM 1203 C VAL A 80 -12.486 -19.735 -5.551 1.00 25.00 C ATOM 1204 O VAL A 80 -13.648 -19.409 -5.694 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.857 -21.283 -3.667 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -11.337 -19.959 -3.091 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -13.169 -21.656 -2.976 1.00 50.00 C ATOM 0 H VAL A 80 -10.038 -21.718 -5.313 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.908 -21.837 -5.464 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.107 -22.055 -3.492 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -11.176 -20.067 -2.018 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -10.396 -19.696 -3.575 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -12.069 -19.172 -3.270 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -13.004 -21.739 -1.902 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.914 -20.885 -3.170 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.526 -22.610 -3.363 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.516 -18.883 -5.707 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.813 -17.467 -6.066 1.00 25.00 C ATOM 1219 C ALA A 81 -12.263 -17.390 -7.526 1.00 25.00 C ATOM 1220 O ALA A 81 -12.634 -16.341 -8.014 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.554 -16.620 -5.876 1.00 50.00 C ATOM 0 H ALA A 81 -10.526 -19.104 -5.602 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.608 -17.090 -5.423 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.769 -15.584 -6.138 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -10.234 -16.672 -4.835 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.760 -16.999 -6.519 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.237 -18.490 -8.227 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.667 -18.470 -9.654 1.00 25.00 C ATOM 1229 C LYS A 82 -14.190 -18.359 -9.720 1.00 25.00 C ATOM 1230 O LYS A 82 -14.740 -17.728 -10.600 1.00 25.00 O ATOM 1231 CB LYS A 82 -12.218 -19.761 -10.342 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.714 -19.694 -10.616 1.00 25.00 C ATOM 1233 CD LYS A 82 -10.365 -20.640 -11.767 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.860 -20.914 -11.764 1.00 50.00 C ATOM 1235 NZ LYS A 82 -8.237 -20.271 -12.955 1.00 50.00 N ATOM 0 H LYS A 82 -11.938 -19.399 -7.875 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.216 -17.616 -10.160 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.446 -20.620 -9.712 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.763 -19.897 -11.276 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.424 -18.674 -10.868 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -10.157 -19.971 -9.721 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -10.916 -21.575 -11.663 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.663 -20.198 -12.718 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.410 -20.525 -10.850 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.675 -21.988 -11.778 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -7.214 -20.457 -12.954 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.659 -20.662 -13.821 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.403 -19.245 -12.922 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.875 -18.969 -8.795 1.00 25.00 N ATOM 1250 CA ILE A 83 -16.362 -18.901 -8.800 1.00 25.00 C ATOM 1251 C ILE A 83 -16.811 -17.537 -8.276 1.00 25.00 C ATOM 1252 O ILE A 83 -17.821 -17.003 -8.688 1.00 25.00 O ATOM 1253 CB ILE A 83 -16.926 -19.999 -7.899 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -16.612 -21.367 -8.504 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -18.442 -19.824 -7.778 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -17.286 -22.465 -7.676 1.00 50.00 C ATOM 0 H ILE A 83 -14.468 -19.513 -8.034 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.728 -19.040 -9.817 1.00 25.00 H new ATOM 0 HB ILE A 83 -16.472 -19.931 -6.910 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -16.963 -21.409 -9.535 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -15.534 -21.526 -8.528 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -18.848 -20.605 -7.136 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -18.662 -18.848 -7.346 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -18.896 -19.894 -8.766 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -17.060 -23.439 -8.110 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -16.914 -22.429 -6.652 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -18.365 -22.310 -7.675 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.067 -16.973 -7.368 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.448 -15.645 -6.811 1.00 25.00 C ATOM 1270 C PHE A 84 -15.638 -14.549 -7.507 1.00 25.00 C ATOM 1271 O PHE A 84 -14.535 -14.840 -7.940 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.153 -15.622 -5.309 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.977 -16.680 -4.615 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.762 -18.036 -4.897 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -17.955 -16.306 -3.685 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -17.525 -19.015 -4.249 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.718 -17.285 -3.039 1.00 50.00 C ATOM 1278 CZ PHE A 84 -18.503 -18.640 -3.320 1.00 50.00 C ATOM 1279 OXT PHE A 84 -16.136 -13.439 -7.596 1.00 99.99 O ATOM 0 H PHE A 84 -15.210 -17.374 -6.986 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.511 -15.471 -6.977 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.092 -15.800 -5.134 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -16.384 -14.639 -4.898 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -16.008 -18.326 -5.614 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.120 -15.261 -3.466 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -17.359 -20.060 -4.466 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.473 -16.995 -2.323 1.00 50.00 H new ATOM 0 HZ PHE A 84 -19.091 -19.395 -2.820 1.00 50.00 H new