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+ 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= -3.51! C(o=-3.5!,f=-7.5!) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 1.34 (180deg=0.878) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 138:sc= 0.0798 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 148:sc= -0.813 USER MOD Single : A 40 SER OG : rot -74:sc= 1.07 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0.053 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc=-0.00843 X(o=-0.0084,f=-0.13) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 172:sc= -9.66! (180deg=-10.3!) USER MOD Single : A 55 THR OG1 : rot -13:sc= -3.01! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0948 USER MOD Single : A 64 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.2) USER MOD Single : A 67 THR OG1 : rot 80:sc= 0.34 USER MOD Single : A 73 ASN : amide:sc= -1.9 K(o=-1.9,f=-3!) 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 -1.364 -10.678 0.026 1.00 16.66 N ATOM 86 CA ASP A 7 -2.075 -11.975 -0.142 1.00 16.66 C ATOM 87 C ASP A 7 -3.051 -12.168 1.018 1.00 16.66 C ATOM 88 O ASP A 7 -4.170 -12.603 0.838 1.00 16.66 O ATOM 89 CB ASP A 7 -1.060 -13.120 -0.152 1.00 16.66 C ATOM 90 CG ASP A 7 -0.225 -13.050 -1.432 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.597 -12.300 -2.319 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.774 -13.746 -1.503 1.00 50.00 O ATOM 0 HA ASP A 7 -2.622 -11.971 -1.085 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.412 -13.053 0.722 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.576 -14.078 -0.094 1.00 16.66 H new ATOM 97 N LYS A 8 -2.632 -11.842 2.208 1.00 16.66 N ATOM 98 CA LYS A 8 -3.532 -12.000 3.383 1.00 16.66 C ATOM 99 C LYS A 8 -4.862 -11.308 3.099 1.00 16.66 C ATOM 100 O LYS A 8 -5.915 -11.781 3.480 1.00 16.66 O ATOM 101 CB LYS A 8 -2.880 -11.365 4.612 1.00 16.66 C ATOM 102 CG LYS A 8 -2.011 -12.408 5.315 1.00 16.66 C ATOM 103 CD LYS A 8 -1.902 -12.065 6.802 1.00 16.66 C ATOM 104 CE LYS A 8 -0.839 -12.951 7.454 1.00 50.00 C ATOM 105 NZ LYS A 8 0.024 -12.122 8.342 1.00 50.00 N ATOM 0 H LYS A 8 -1.705 -11.473 2.418 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.705 -13.060 3.570 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.274 -10.509 4.316 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.645 -10.993 5.293 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.444 -13.401 5.191 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -1.019 -12.434 4.864 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.640 -11.014 6.925 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.864 -12.213 7.292 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -1.315 -13.744 8.030 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.233 -13.433 6.687 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 0.747 -12.725 8.785 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.489 -11.380 7.780 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 -0.560 -11.682 9.081 1.00 50.00 H new ATOM 119 N ALA A 9 -4.826 -10.195 2.423 1.00 16.66 N ATOM 120 CA ALA A 9 -6.092 -9.481 2.106 1.00 16.66 C ATOM 121 C ALA A 9 -6.997 -10.423 1.322 1.00 16.66 C ATOM 122 O ALA A 9 -8.171 -10.557 1.605 1.00 16.66 O ATOM 123 CB ALA A 9 -5.786 -8.239 1.267 1.00 16.66 C ATOM 0 H ALA A 9 -3.976 -9.750 2.077 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.587 -9.171 3.026 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.715 -7.718 1.036 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.127 -7.575 1.827 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.298 -8.538 0.340 1.00 16.66 H new ATOM 129 N GLU A 10 -6.453 -11.086 0.345 1.00 16.66 N ATOM 130 CA GLU A 10 -7.274 -12.034 -0.458 1.00 16.66 C ATOM 131 C GLU A 10 -7.671 -13.216 0.427 1.00 16.66 C ATOM 132 O GLU A 10 -8.779 -13.708 0.368 1.00 16.66 O ATOM 133 CB GLU A 10 -6.456 -12.540 -1.649 1.00 16.66 C ATOM 134 CG GLU A 10 -5.852 -11.349 -2.395 1.00 16.66 C ATOM 135 CD GLU A 10 -5.176 -11.839 -3.677 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.928 -13.030 -3.774 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.918 -11.016 -4.540 1.00 16.66 O ATOM 0 H GLU A 10 -5.475 -11.014 0.066 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.167 -11.529 -0.826 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.665 -13.206 -1.304 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.090 -13.119 -2.320 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.630 -10.625 -2.636 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.127 -10.839 -1.761 1.00 16.66 H new ATOM 144 N ARG A 11 -6.770 -13.667 1.254 1.00 16.66 N ATOM 145 CA ARG A 11 -7.083 -14.811 2.155 1.00 16.66 C ATOM 146 C ARG A 11 -8.155 -14.387 3.157 1.00 16.66 C ATOM 147 O ARG A 11 -9.064 -15.132 3.470 1.00 16.66 O ATOM 148 CB ARG A 11 -5.820 -15.219 2.912 1.00 16.66 C ATOM 149 CG ARG A 11 -4.836 -15.880 1.946 1.00 16.66 C ATOM 150 CD ARG A 11 -3.808 -16.686 2.739 1.00 50.00 C ATOM 151 NE ARG A 11 -2.586 -16.876 1.909 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.415 -17.985 1.243 1.00 50.00 C ATOM 153 NH1 ARG A 11 -3.443 -18.735 0.951 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.218 -18.343 0.867 1.00 50.00 N ATOM 0 H ARG A 11 -5.826 -13.291 1.345 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.445 -15.653 1.564 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.361 -14.344 3.373 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -6.073 -15.908 3.718 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.370 -16.532 1.255 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.334 -15.121 1.345 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.556 -16.167 3.664 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.225 -17.653 3.020 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.883 -16.139 1.861 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -4.379 -18.454 1.243 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -3.310 -19.602 0.430 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -0.415 -17.756 1.094 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -1.085 -19.210 0.346 1.00 50.00 H new ATOM 168 N GLU A 12 -8.056 -13.190 3.658 1.00 16.66 N ATOM 169 CA GLU A 12 -9.063 -12.700 4.636 1.00 16.66 C ATOM 170 C GLU A 12 -10.424 -12.599 3.949 1.00 16.66 C ATOM 171 O GLU A 12 -11.445 -12.939 4.513 1.00 16.66 O ATOM 172 CB GLU A 12 -8.641 -11.323 5.149 1.00 16.66 C ATOM 173 CG GLU A 12 -7.671 -11.489 6.320 1.00 16.66 C ATOM 174 CD GLU A 12 -7.475 -10.141 7.016 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.196 -9.214 6.683 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.608 -10.058 7.870 1.00 50.00 O ATOM 0 H GLU A 12 -7.316 -12.526 3.431 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.131 -13.393 5.475 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -8.167 -10.755 4.349 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.517 -10.757 5.466 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -8.060 -12.222 7.027 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.714 -11.868 5.962 1.00 16.66 H new ATOM 183 N ARG A 13 -10.444 -12.138 2.729 1.00 16.66 N ATOM 184 CA ARG A 13 -11.735 -12.019 1.998 1.00 16.66 C ATOM 185 C ARG A 13 -12.286 -13.415 1.720 1.00 16.66 C ATOM 186 O ARG A 13 -13.468 -13.665 1.842 1.00 16.66 O ATOM 187 CB ARG A 13 -11.508 -11.286 0.675 1.00 16.66 C ATOM 188 CG ARG A 13 -10.973 -9.882 0.955 1.00 16.66 C ATOM 189 CD ARG A 13 -10.443 -9.269 -0.343 1.00 16.66 C ATOM 190 NE ARG A 13 -11.589 -8.812 -1.179 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.367 -8.205 -2.313 1.00 50.00 C ATOM 192 NH1 ARG A 13 -10.173 -8.214 -2.837 1.00 50.00 N ATOM 193 NH2 ARG A 13 -12.343 -7.587 -2.922 1.00 50.00 N ATOM 0 H ARG A 13 -9.621 -11.838 2.207 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.448 -11.458 2.603 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.801 -11.840 0.057 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.441 -11.226 0.115 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.764 -9.256 1.369 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.178 -9.926 1.700 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.784 -8.430 -0.119 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.850 -10.003 -0.889 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.546 -8.973 -0.865 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -9.411 -8.696 -2.361 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -10.001 -7.739 -3.723 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -13.277 -7.579 -2.511 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -12.172 -7.112 -3.808 1.00 50.00 H new ATOM 207 N ILE A 14 -11.433 -14.331 1.359 1.00 16.66 N ATOM 208 CA ILE A 14 -11.901 -15.715 1.084 1.00 16.66 C ATOM 209 C ILE A 14 -12.311 -16.370 2.402 1.00 16.66 C ATOM 210 O ILE A 14 -13.349 -16.997 2.500 1.00 16.66 O ATOM 211 CB ILE A 14 -10.768 -16.518 0.442 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.263 -15.782 -0.799 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.286 -17.901 0.041 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.812 -16.183 -1.077 1.00 50.00 C ATOM 0 H ILE A 14 -10.431 -14.180 1.243 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.753 -15.691 0.404 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.952 -16.630 1.155 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.889 -16.024 -1.658 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.331 -14.705 -0.648 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.479 -18.473 -0.416 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.646 -18.425 0.926 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.102 -17.791 -0.673 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.453 -15.658 -1.962 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.191 -15.919 -0.221 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.758 -17.258 -1.246 1.00 50.00 H new ATOM 226 N PHE A 15 -11.509 -16.224 3.421 1.00 16.66 N ATOM 227 CA PHE A 15 -11.863 -16.834 4.731 1.00 16.66 C ATOM 228 C PHE A 15 -13.134 -16.172 5.261 1.00 16.66 C ATOM 229 O PHE A 15 -13.970 -16.808 5.870 1.00 16.66 O ATOM 230 CB PHE A 15 -10.720 -16.627 5.728 1.00 16.66 C ATOM 231 CG PHE A 15 -11.088 -17.286 7.036 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.779 -16.564 8.017 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.748 -18.624 7.263 1.00 16.66 C ATOM 234 CE1 PHE A 15 -12.129 -17.183 9.225 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.095 -19.242 8.471 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.787 -18.522 9.451 1.00 16.66 C ATOM 0 H PHE A 15 -10.628 -15.711 3.402 1.00 16.66 H new ATOM 0 HA PHE A 15 -12.030 -17.903 4.602 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.797 -17.054 5.337 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.540 -15.563 5.879 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -12.042 -15.531 7.843 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.217 -19.181 6.505 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.663 -16.627 9.982 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.829 -20.274 8.646 1.00 16.66 H new ATOM 0 HZ PHE A 15 -12.057 -18.999 10.382 1.00 16.66 H new ATOM 246 N LYS A 16 -13.287 -14.898 5.028 1.00 16.66 N ATOM 247 CA LYS A 16 -14.507 -14.195 5.510 1.00 16.66 C ATOM 248 C LYS A 16 -15.728 -14.746 4.772 1.00 16.66 C ATOM 249 O LYS A 16 -16.823 -14.780 5.299 1.00 16.66 O ATOM 250 CB LYS A 16 -14.378 -12.696 5.233 1.00 50.00 C ATOM 251 CG LYS A 16 -13.556 -12.041 6.345 1.00 50.00 C ATOM 252 CD LYS A 16 -13.583 -10.521 6.171 1.00 50.00 C ATOM 253 CE LYS A 16 -12.601 -9.877 7.150 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.133 -8.575 6.599 1.00 50.00 N ATOM 0 H LYS A 16 -12.619 -14.314 4.525 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.622 -14.355 6.582 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.898 -12.534 4.268 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.366 -12.239 5.179 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.961 -12.313 7.320 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.528 -12.403 6.314 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -13.318 -10.257 5.147 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.590 -10.142 6.347 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -13.082 -9.723 8.116 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.752 -10.539 7.318 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.465 -8.136 7.265 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -11.659 -8.734 5.687 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -12.948 -7.944 6.460 1.00 50.00 H new ATOM 268 N ARG A 17 -15.547 -15.185 3.556 1.00 16.66 N ATOM 269 CA ARG A 17 -16.694 -15.741 2.787 1.00 16.66 C ATOM 270 C ARG A 17 -17.086 -17.096 3.377 1.00 16.66 C ATOM 271 O ARG A 17 -18.244 -17.459 3.410 1.00 16.66 O ATOM 272 CB ARG A 17 -16.289 -15.920 1.322 1.00 16.66 C ATOM 273 CG ARG A 17 -16.228 -14.552 0.639 1.00 16.66 C ATOM 274 CD ARG A 17 -16.212 -14.740 -0.879 1.00 50.00 C ATOM 275 NE ARG A 17 -15.865 -13.448 -1.535 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.788 -13.356 -2.265 1.00 50.00 C ATOM 277 NH1 ARG A 17 -13.660 -13.844 -1.828 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.839 -12.775 -3.433 1.00 50.00 N ATOM 0 H ARG A 17 -14.654 -15.182 3.063 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.540 -15.057 2.847 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.319 -16.413 1.259 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.007 -16.562 0.811 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.087 -13.949 0.932 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.336 -14.013 0.959 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.487 -15.506 -1.154 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.187 -15.085 -1.224 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.470 -12.636 -1.413 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.620 -14.298 -0.915 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -12.818 -13.772 -2.399 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.721 -12.393 -3.775 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -13.997 -12.703 -4.004 1.00 50.00 H new ATOM 292 N PHE A 18 -16.125 -17.844 3.846 1.00 16.66 N ATOM 293 CA PHE A 18 -16.439 -19.175 4.436 1.00 16.66 C ATOM 294 C PHE A 18 -17.109 -18.983 5.796 1.00 16.66 C ATOM 295 O PHE A 18 -18.130 -19.575 6.085 1.00 16.66 O ATOM 296 CB PHE A 18 -15.148 -19.977 4.607 1.00 16.66 C ATOM 297 CG PHE A 18 -14.737 -20.555 3.274 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.437 -21.642 2.738 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.656 -20.006 2.575 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.058 -22.178 1.501 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.275 -20.543 1.339 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.977 -21.629 0.802 1.00 16.66 C ATOM 0 H PHE A 18 -15.137 -17.591 3.846 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.114 -19.717 3.773 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.358 -19.336 4.997 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.297 -20.777 5.332 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.270 -22.067 3.278 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.115 -19.168 2.989 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.600 -23.015 1.086 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.440 -20.120 0.800 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.684 -22.043 -0.152 1.00 16.66 H new ATOM 312 N ASP A 19 -16.551 -18.153 6.631 1.00 16.66 N ATOM 313 CA ASP A 19 -17.165 -17.918 7.968 1.00 16.66 C ATOM 314 C ASP A 19 -18.588 -17.386 7.763 1.00 16.66 C ATOM 315 O ASP A 19 -18.786 -16.239 7.413 1.00 16.66 O ATOM 316 CB ASP A 19 -16.328 -16.897 8.744 1.00 16.66 C ATOM 317 CG ASP A 19 -16.595 -17.059 10.237 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.386 -17.916 10.578 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.999 -16.328 11.011 1.00 16.66 O ATOM 0 H ASP A 19 -15.697 -17.627 6.446 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.198 -18.847 8.537 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.268 -17.043 8.534 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.580 -15.885 8.425 1.00 16.66 H new ATOM 324 N ALA A 20 -19.578 -18.219 7.950 1.00 16.66 N ATOM 325 CA ALA A 20 -20.988 -17.776 7.736 1.00 16.66 C ATOM 326 C ALA A 20 -21.410 -16.731 8.774 1.00 16.66 C ATOM 327 O ALA A 20 -21.915 -15.681 8.427 1.00 16.66 O ATOM 328 CB ALA A 20 -21.916 -18.989 7.839 1.00 50.00 C ATOM 0 H ALA A 20 -19.471 -19.190 8.243 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.058 -17.323 6.747 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.947 -18.672 7.684 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.643 -19.721 7.079 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.819 -19.438 8.827 1.00 50.00 H new ATOM 334 N ASN A 21 -21.227 -16.998 10.039 1.00 16.66 N ATOM 335 CA ASN A 21 -21.646 -15.994 11.061 1.00 16.66 C ATOM 336 C ASN A 21 -20.507 -15.005 11.313 1.00 16.66 C ATOM 337 O ASN A 21 -20.728 -13.872 11.691 1.00 16.66 O ATOM 338 CB ASN A 21 -22.044 -16.701 12.365 1.00 16.66 C ATOM 339 CG ASN A 21 -20.837 -17.395 13.000 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.914 -17.784 12.311 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.836 -17.561 14.293 1.00 16.66 N ATOM 0 H ASN A 21 -20.812 -17.854 10.406 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.511 -15.445 10.689 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.461 -15.976 13.064 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.825 -17.434 12.162 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -20.050 -18.026 14.747 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.622 -17.226 14.851 1.00 16.66 H new ATOM 348 N GLY A 22 -19.292 -15.417 11.088 1.00 16.66 N ATOM 349 CA GLY A 22 -18.146 -14.488 11.296 1.00 16.66 C ATOM 350 C GLY A 22 -17.668 -14.560 12.747 1.00 16.66 C ATOM 351 O GLY A 22 -17.299 -13.564 13.337 1.00 16.66 O ATOM 0 H GLY A 22 -19.042 -16.353 10.770 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.330 -14.749 10.623 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.446 -13.468 11.054 1.00 16.66 H new ATOM 355 N ASP A 23 -17.656 -15.728 13.324 1.00 16.66 N ATOM 356 CA ASP A 23 -17.181 -15.847 14.732 1.00 16.66 C ATOM 357 C ASP A 23 -15.684 -16.178 14.733 1.00 16.66 C ATOM 358 O ASP A 23 -15.088 -16.401 15.768 1.00 16.66 O ATOM 359 CB ASP A 23 -17.965 -16.938 15.473 1.00 16.66 C ATOM 360 CG ASP A 23 -17.788 -18.290 14.781 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.357 -18.305 13.643 1.00 16.66 O ATOM 362 OD2 ASP A 23 -18.097 -19.293 15.404 1.00 16.66 O ATOM 0 H ASP A 23 -17.952 -16.601 12.886 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.345 -14.900 15.247 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.621 -17.004 16.505 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -19.022 -16.675 15.506 1.00 16.66 H new ATOM 367 N GLY A 24 -15.069 -16.190 13.578 1.00 16.66 N ATOM 368 CA GLY A 24 -13.609 -16.483 13.510 1.00 16.66 C ATOM 369 C GLY A 24 -13.377 -17.972 13.246 1.00 16.66 C ATOM 370 O GLY A 24 -12.261 -18.402 13.032 1.00 16.66 O ATOM 0 H GLY A 24 -15.517 -16.009 12.680 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.149 -15.891 12.719 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.129 -16.194 14.445 1.00 16.66 H new ATOM 374 N LYS A 25 -14.409 -18.769 13.271 1.00 16.66 N ATOM 375 CA LYS A 25 -14.221 -20.227 13.032 1.00 16.66 C ATOM 376 C LYS A 25 -15.217 -20.718 11.980 1.00 16.66 C ATOM 377 O LYS A 25 -16.364 -20.301 11.940 1.00 16.66 O ATOM 378 CB LYS A 25 -14.437 -20.992 14.342 1.00 50.00 C ATOM 379 CG LYS A 25 -15.911 -20.929 14.738 1.00 50.00 C ATOM 380 CD LYS A 25 -16.183 -21.956 15.840 1.00 50.00 C ATOM 381 CE LYS A 25 -17.679 -22.277 15.881 1.00 50.00 C ATOM 382 NZ LYS A 25 -17.993 -23.024 17.133 1.00 50.00 N ATOM 0 H LYS A 25 -15.370 -18.476 13.446 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.208 -20.402 12.670 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.126 -22.030 14.224 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.820 -20.563 15.131 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.163 -19.928 15.088 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.541 -21.132 13.872 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.610 -22.865 15.654 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.857 -21.565 16.804 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -18.261 -21.356 15.839 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.958 -22.871 15.011 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.004 -22.922 17.354 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.767 -24.031 17.002 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.427 -22.641 17.917 1.00 50.00 H new ATOM 396 N ILE A 26 -14.784 -21.614 11.134 1.00 16.66 N ATOM 397 CA ILE A 26 -15.688 -22.155 10.082 1.00 16.66 C ATOM 398 C ILE A 26 -15.976 -23.628 10.369 1.00 16.66 C ATOM 399 O ILE A 26 -15.088 -24.401 10.667 1.00 16.66 O ATOM 400 CB ILE A 26 -15.015 -22.026 8.715 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.306 -20.674 8.620 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.074 -22.125 7.615 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.726 -20.505 7.216 1.00 16.66 C ATOM 0 H ILE A 26 -13.838 -21.995 11.128 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.622 -21.593 10.082 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.286 -22.827 8.592 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.006 -19.867 8.836 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.511 -20.614 9.364 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.596 -22.033 6.640 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.579 -23.089 7.682 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.803 -21.324 7.738 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.220 -19.542 7.145 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.013 -21.305 7.018 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.531 -20.547 6.482 1.00 16.66 H new ATOM 415 N SER A 27 -17.214 -24.021 10.277 1.00 16.66 N ATOM 416 CA SER A 27 -17.573 -25.440 10.541 1.00 16.66 C ATOM 417 C SER A 27 -17.909 -26.118 9.215 1.00 16.66 C ATOM 418 O SER A 27 -18.076 -25.468 8.202 1.00 16.66 O ATOM 419 CB SER A 27 -18.793 -25.492 11.461 1.00 50.00 C ATOM 420 OG SER A 27 -19.973 -25.296 10.696 1.00 50.00 O ATOM 0 H SER A 27 -17.997 -23.416 10.029 1.00 16.66 H new ATOM 0 HA SER A 27 -16.738 -25.952 11.019 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.835 -26.453 11.973 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.714 -24.724 12.231 1.00 50.00 H new ATOM 0 HG SER A 27 -20.755 -25.331 11.286 1.00 50.00 H new ATOM 426 N ALA A 28 -18.009 -27.416 9.204 1.00 16.66 N ATOM 427 CA ALA A 28 -18.335 -28.113 7.932 1.00 16.66 C ATOM 428 C ALA A 28 -19.559 -27.450 7.307 1.00 16.66 C ATOM 429 O ALA A 28 -19.592 -27.171 6.126 1.00 16.66 O ATOM 430 CB ALA A 28 -18.631 -29.588 8.211 1.00 50.00 C ATOM 0 H ALA A 28 -17.880 -28.021 10.015 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.489 -28.047 7.247 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.869 -30.094 7.276 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.757 -30.055 8.664 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.478 -29.667 8.892 1.00 50.00 H new ATOM 436 N ALA A 29 -20.566 -27.198 8.090 1.00 16.66 N ATOM 437 CA ALA A 29 -21.790 -26.553 7.545 1.00 16.66 C ATOM 438 C ALA A 29 -21.420 -25.216 6.904 1.00 16.66 C ATOM 439 O ALA A 29 -21.958 -24.838 5.881 1.00 16.66 O ATOM 440 CB ALA A 29 -22.793 -26.316 8.675 1.00 50.00 C ATOM 0 H ALA A 29 -20.595 -27.411 9.087 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.238 -27.205 6.795 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.689 -25.843 8.273 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.059 -27.270 9.131 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.346 -25.666 9.428 1.00 50.00 H new ATOM 446 N GLU A 30 -20.508 -24.495 7.493 1.00 16.66 N ATOM 447 CA GLU A 30 -20.114 -23.186 6.907 1.00 16.66 C ATOM 448 C GLU A 30 -19.195 -23.424 5.711 1.00 16.66 C ATOM 449 O GLU A 30 -19.446 -22.949 4.621 1.00 16.66 O ATOM 450 CB GLU A 30 -19.386 -22.347 7.961 1.00 16.66 C ATOM 451 CG GLU A 30 -20.346 -22.031 9.112 1.00 16.66 C ATOM 452 CD GLU A 30 -19.641 -21.142 10.141 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.616 -21.547 10.640 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.140 -20.071 10.416 1.00 16.66 O ATOM 0 H GLU A 30 -20.021 -24.754 8.351 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.005 -22.651 6.579 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.517 -22.888 8.336 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -19.018 -21.423 7.515 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.234 -21.528 8.730 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.681 -22.955 9.584 1.00 16.66 H new ATOM 461 N LEU A 31 -18.135 -24.155 5.900 1.00 16.66 N ATOM 462 CA LEU A 31 -17.208 -24.418 4.765 1.00 16.66 C ATOM 463 C LEU A 31 -17.953 -25.204 3.689 1.00 16.66 C ATOM 464 O LEU A 31 -17.824 -24.944 2.510 1.00 16.66 O ATOM 465 CB LEU A 31 -16.010 -25.233 5.258 1.00 16.66 C ATOM 466 CG LEU A 31 -15.179 -25.695 4.059 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.756 -24.481 3.231 1.00 16.66 C ATOM 468 CD2 LEU A 31 -13.933 -26.433 4.556 1.00 16.66 C ATOM 0 H LEU A 31 -17.870 -24.581 6.788 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.852 -23.474 4.353 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.397 -24.630 5.928 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.354 -26.095 5.830 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.776 -26.365 3.441 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -14.164 -24.811 2.377 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -15.643 -23.956 2.876 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -14.159 -23.810 3.848 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.341 -26.762 3.702 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.336 -25.763 5.175 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.234 -27.300 5.145 1.00 16.66 H new ATOM 480 N GLY A 32 -18.738 -26.163 4.091 1.00 16.66 N ATOM 481 CA GLY A 32 -19.501 -26.964 3.098 1.00 16.66 C ATOM 482 C GLY A 32 -20.501 -26.058 2.384 1.00 16.66 C ATOM 483 O GLY A 32 -20.647 -26.106 1.179 1.00 16.66 O ATOM 0 H GLY A 32 -18.884 -26.426 5.066 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.820 -27.414 2.376 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.023 -27.781 3.596 1.00 16.66 H new ATOM 487 N GLU A 33 -21.196 -25.236 3.119 1.00 16.66 N ATOM 488 CA GLU A 33 -22.190 -24.332 2.484 1.00 16.66 C ATOM 489 C GLU A 33 -21.494 -23.438 1.464 1.00 16.66 C ATOM 490 O GLU A 33 -21.995 -23.212 0.380 1.00 16.66 O ATOM 491 CB GLU A 33 -22.846 -23.468 3.561 1.00 50.00 C ATOM 492 CG GLU A 33 -24.020 -24.230 4.180 1.00 50.00 C ATOM 493 CD GLU A 33 -25.260 -24.058 3.299 1.00 50.00 C ATOM 494 OE1 GLU A 33 -25.196 -23.277 2.364 1.00 50.00 O ATOM 495 OE2 GLU A 33 -26.253 -24.711 3.574 1.00 50.00 O ATOM 0 H GLU A 33 -21.117 -25.152 4.133 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.951 -24.926 1.978 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.118 -23.212 4.331 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.195 -22.530 3.128 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -23.772 -25.287 4.275 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -24.220 -23.858 5.185 1.00 50.00 H new ATOM 502 N ALA A 34 -20.339 -22.933 1.791 1.00 16.66 N ATOM 503 CA ALA A 34 -19.615 -22.065 0.825 1.00 16.66 C ATOM 504 C ALA A 34 -19.059 -22.942 -0.294 1.00 16.66 C ATOM 505 O ALA A 34 -19.084 -22.583 -1.455 1.00 16.66 O ATOM 506 CB ALA A 34 -18.464 -21.351 1.537 1.00 50.00 C ATOM 0 H ALA A 34 -19.867 -23.083 2.682 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.294 -21.319 0.413 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.935 -20.716 0.827 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.861 -20.738 2.346 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.775 -22.090 1.946 1.00 50.00 H new ATOM 512 N LEU A 35 -18.558 -24.093 0.052 1.00 99.99 N ATOM 513 CA LEU A 35 -17.996 -25.007 -0.977 1.00 99.99 C ATOM 514 C LEU A 35 -19.089 -25.387 -1.976 1.00 99.99 C ATOM 515 O LEU A 35 -18.823 -25.623 -3.138 1.00 99.99 O ATOM 516 CB LEU A 35 -17.466 -26.270 -0.297 1.00 99.99 C ATOM 517 CG LEU A 35 -15.993 -26.075 0.070 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.449 -27.362 0.691 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.193 -25.738 -1.191 1.00 99.99 C ATOM 0 H LEU A 35 -18.514 -24.442 1.010 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.183 -24.506 -1.503 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.049 -26.485 0.598 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.575 -27.127 -0.962 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.901 -25.259 0.786 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.400 -27.224 0.953 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.019 -27.602 1.589 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.540 -28.178 -0.025 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.144 -25.599 -0.930 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.284 -26.554 -1.908 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.581 -24.821 -1.634 1.00 99.99 H new ATOM 531 N LYS A 36 -20.319 -25.453 -1.540 1.00 99.99 N ATOM 532 CA LYS A 36 -21.417 -25.823 -2.477 1.00 99.99 C ATOM 533 C LYS A 36 -21.259 -25.042 -3.781 1.00 99.99 C ATOM 534 O LYS A 36 -21.706 -25.466 -4.828 1.00 99.99 O ATOM 535 CB LYS A 36 -22.767 -25.486 -1.840 1.00 99.99 C ATOM 536 CG LYS A 36 -23.511 -26.781 -1.509 1.00 99.99 C ATOM 537 CD LYS A 36 -24.806 -26.451 -0.764 1.00 99.99 C ATOM 538 CE LYS A 36 -24.871 -27.265 0.530 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.138 -26.954 1.250 1.00 99.99 N ATOM 0 H LYS A 36 -20.609 -25.267 -0.580 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.371 -26.892 -2.686 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.617 -24.898 -0.934 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.361 -24.877 -2.521 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -23.735 -27.328 -2.425 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -22.882 -27.428 -0.897 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.847 -25.385 -0.538 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.667 -26.677 -1.392 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.820 -28.330 0.305 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -24.014 -27.032 1.162 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -26.548 -27.833 1.626 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -25.940 -26.301 2.035 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.811 -26.511 0.593 1.00 99.99 H new ATOM 553 N THR A 37 -20.625 -23.903 -3.728 1.00 99.99 N ATOM 554 CA THR A 37 -20.438 -23.097 -4.965 1.00 99.99 C ATOM 555 C THR A 37 -19.826 -23.980 -6.052 1.00 99.99 C ATOM 556 O THR A 37 -19.965 -23.721 -7.231 1.00 99.99 O ATOM 557 CB THR A 37 -19.503 -21.921 -4.671 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.556 -20.995 -5.746 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.070 -22.433 -4.504 1.00 99.99 C ATOM 0 H THR A 37 -20.229 -23.496 -2.881 1.00 99.99 H new ATOM 0 HA THR A 37 -21.401 -22.715 -5.304 1.00 99.99 H new ATOM 0 HB THR A 37 -19.818 -21.428 -3.751 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.419 -20.087 -5.403 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.406 -21.594 -4.295 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.031 -23.142 -3.677 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.751 -22.928 -5.421 1.00 99.99 H new ATOM 567 N LEU A 38 -19.152 -25.026 -5.662 1.00 16.66 N ATOM 568 CA LEU A 38 -18.533 -25.930 -6.671 1.00 16.66 C ATOM 569 C LEU A 38 -19.626 -26.494 -7.579 1.00 16.66 C ATOM 570 O LEU A 38 -19.415 -26.730 -8.753 1.00 16.66 O ATOM 571 CB LEU A 38 -17.816 -27.079 -5.958 1.00 50.00 C ATOM 572 CG LEU A 38 -16.486 -26.578 -5.393 1.00 50.00 C ATOM 573 CD1 LEU A 38 -16.136 -27.369 -4.132 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.384 -26.769 -6.438 1.00 50.00 C ATOM 0 H LEU A 38 -19.003 -25.294 -4.689 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.812 -25.372 -7.269 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.441 -27.469 -5.154 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.642 -27.900 -6.653 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.572 -25.520 -5.145 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.188 -27.012 -3.730 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.921 -27.233 -3.388 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -16.050 -28.427 -4.379 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.436 -26.412 -6.036 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.298 -27.827 -6.687 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -15.633 -26.204 -7.336 1.00 50.00 H new ATOM 586 N GLY A 39 -20.796 -26.709 -7.045 1.00 16.66 N ATOM 587 CA GLY A 39 -21.910 -27.253 -7.872 1.00 16.66 C ATOM 588 C GLY A 39 -21.672 -28.740 -8.145 1.00 16.66 C ATOM 589 O GLY A 39 -22.452 -29.388 -8.815 1.00 16.66 O ATOM 0 H GLY A 39 -21.030 -26.531 -6.068 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.860 -27.116 -7.355 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -21.977 -26.707 -8.813 1.00 16.66 H new ATOM 593 N SER A 40 -20.604 -29.288 -7.634 1.00 16.66 N ATOM 594 CA SER A 40 -20.325 -30.732 -7.872 1.00 16.66 C ATOM 595 C SER A 40 -19.456 -31.283 -6.740 1.00 16.66 C ATOM 596 O SER A 40 -18.329 -31.686 -6.950 1.00 16.66 O ATOM 597 CB SER A 40 -19.588 -30.891 -9.202 1.00 16.66 C ATOM 598 OG SER A 40 -18.904 -32.135 -9.219 1.00 16.66 O ATOM 0 H SER A 40 -19.914 -28.800 -7.063 1.00 16.66 H new ATOM 0 HA SER A 40 -21.265 -31.282 -7.904 1.00 16.66 H new ATOM 0 HB2 SER A 40 -20.295 -30.842 -10.030 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.880 -30.073 -9.338 1.00 16.66 H new ATOM 0 HG SER A 40 -18.117 -32.083 -8.638 1.00 16.66 H new ATOM 604 N ILE A 41 -19.971 -31.309 -5.541 1.00 16.66 N ATOM 605 CA ILE A 41 -19.172 -31.840 -4.401 1.00 16.66 C ATOM 606 C ILE A 41 -20.107 -32.520 -3.397 1.00 16.66 C ATOM 607 O ILE A 41 -21.313 -32.500 -3.543 1.00 16.66 O ATOM 608 CB ILE A 41 -18.422 -30.688 -3.716 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.281 -31.256 -2.867 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.380 -29.904 -2.815 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.196 -30.193 -2.693 1.00 16.66 C ATOM 0 H ILE A 41 -20.909 -30.986 -5.302 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.449 -32.567 -4.771 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.018 -30.022 -4.478 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.659 -31.568 -1.893 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.864 -32.142 -3.346 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.841 -29.089 -2.333 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.193 -29.496 -3.416 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.789 -30.568 -2.054 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.384 -30.597 -2.089 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.811 -29.903 -3.671 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.618 -29.320 -2.196 1.00 16.66 H new ATOM 623 N THR A 42 -19.559 -33.119 -2.377 1.00 16.66 N ATOM 624 CA THR A 42 -20.411 -33.795 -1.361 1.00 16.66 C ATOM 625 C THR A 42 -20.038 -33.269 0.021 1.00 16.66 C ATOM 626 O THR A 42 -18.996 -32.672 0.204 1.00 16.66 O ATOM 627 CB THR A 42 -20.182 -35.317 -1.400 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.425 -35.716 -0.264 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.423 -35.706 -2.671 1.00 16.66 C ATOM 0 H THR A 42 -18.555 -33.169 -2.203 1.00 16.66 H new ATOM 0 HA THR A 42 -21.460 -33.589 -1.576 1.00 16.66 H new ATOM 0 HB THR A 42 -21.151 -35.817 -1.393 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.146 -36.650 -0.368 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.268 -36.785 -2.686 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.002 -35.411 -3.546 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.458 -35.200 -2.688 1.00 16.66 H new ATOM 637 N PRO A 43 -20.895 -33.514 1.016 1.00 16.66 N ATOM 638 CA PRO A 43 -20.637 -33.082 2.387 1.00 16.66 C ATOM 639 C PRO A 43 -19.481 -33.883 2.982 1.00 16.66 C ATOM 640 O PRO A 43 -18.713 -33.391 3.785 1.00 16.66 O ATOM 641 CB PRO A 43 -21.941 -33.404 3.118 1.00 50.00 C ATOM 642 CG PRO A 43 -22.558 -34.499 2.314 1.00 50.00 C ATOM 643 CD PRO A 43 -22.176 -34.231 0.886 1.00 50.00 C ATOM 0 HA PRO A 43 -20.359 -32.031 2.460 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.753 -33.722 4.144 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.594 -32.532 3.169 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.194 -35.474 2.639 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.641 -34.507 2.433 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.066 -35.154 0.317 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.926 -33.628 0.374 1.00 50.00 H new ATOM 651 N ASP A 44 -19.365 -35.122 2.590 1.00 16.66 N ATOM 652 CA ASP A 44 -18.271 -35.978 3.124 1.00 16.66 C ATOM 653 C ASP A 44 -16.915 -35.461 2.640 1.00 16.66 C ATOM 654 O ASP A 44 -15.897 -35.716 3.252 1.00 16.66 O ATOM 655 CB ASP A 44 -18.470 -37.416 2.639 1.00 50.00 C ATOM 656 CG ASP A 44 -19.762 -37.980 3.236 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.235 -37.420 4.210 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.253 -38.963 2.707 1.00 50.00 O ATOM 0 H ASP A 44 -19.984 -35.579 1.920 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.294 -35.949 4.213 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.518 -37.441 1.550 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.621 -38.032 2.935 1.00 50.00 H new ATOM 663 N GLU A 45 -16.881 -34.733 1.555 1.00 16.66 N ATOM 664 CA GLU A 45 -15.579 -34.209 1.064 1.00 16.66 C ATOM 665 C GLU A 45 -15.247 -32.942 1.841 1.00 16.66 C ATOM 666 O GLU A 45 -14.116 -32.705 2.218 1.00 16.66 O ATOM 667 CB GLU A 45 -15.682 -33.887 -0.428 1.00 16.66 C ATOM 668 CG GLU A 45 -15.755 -35.190 -1.228 1.00 16.66 C ATOM 669 CD GLU A 45 -15.585 -34.884 -2.717 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.366 -33.729 -3.044 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.678 -35.809 -3.506 1.00 16.66 O ATOM 0 H GLU A 45 -17.694 -34.481 0.993 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.797 -34.954 1.210 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.567 -33.280 -0.620 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.819 -33.301 -0.745 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -14.977 -35.877 -0.896 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.711 -35.683 -1.054 1.00 16.66 H new ATOM 678 N VAL A 46 -16.234 -32.132 2.095 1.00 16.66 N ATOM 679 CA VAL A 46 -15.990 -30.883 2.863 1.00 16.66 C ATOM 680 C VAL A 46 -15.571 -31.256 4.284 1.00 16.66 C ATOM 681 O VAL A 46 -14.739 -30.610 4.890 1.00 16.66 O ATOM 682 CB VAL A 46 -17.273 -30.051 2.905 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.095 -28.870 3.866 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.574 -29.524 1.502 1.00 50.00 C ATOM 0 H VAL A 46 -17.200 -32.281 1.804 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.203 -30.299 2.387 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.098 -30.673 3.252 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.012 -28.281 3.892 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.876 -29.244 4.866 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.271 -28.244 3.524 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.488 -28.930 1.525 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.746 -28.903 1.161 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.704 -30.363 0.818 1.00 50.00 H new ATOM 694 N LYS A 47 -16.136 -32.304 4.813 1.00 16.66 N ATOM 695 CA LYS A 47 -15.769 -32.735 6.188 1.00 16.66 C ATOM 696 C LYS A 47 -14.322 -33.223 6.184 1.00 16.66 C ATOM 697 O LYS A 47 -13.563 -32.961 7.095 1.00 16.66 O ATOM 698 CB LYS A 47 -16.693 -33.869 6.636 1.00 16.66 C ATOM 699 CG LYS A 47 -18.112 -33.328 6.818 1.00 16.66 C ATOM 700 CD LYS A 47 -19.007 -34.423 7.403 1.00 16.66 C ATOM 701 CE LYS A 47 -20.466 -33.966 7.358 1.00 50.00 C ATOM 702 NZ LYS A 47 -21.282 -34.818 8.268 1.00 50.00 N ATOM 0 H LYS A 47 -16.838 -32.882 4.351 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.874 -31.897 6.877 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.689 -34.669 5.896 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.333 -34.298 7.571 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -18.100 -32.462 7.480 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.510 -32.992 5.860 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.886 -35.347 6.838 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.713 -34.637 8.431 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.540 -32.921 7.658 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.848 -34.034 6.339 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -22.274 -34.507 8.238 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -21.220 -35.810 7.963 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.922 -34.732 9.240 1.00 50.00 H new ATOM 716 N HIS A 48 -13.934 -33.924 5.157 1.00 16.66 N ATOM 717 CA HIS A 48 -12.535 -34.424 5.081 1.00 16.66 C ATOM 718 C HIS A 48 -11.583 -33.235 4.951 1.00 16.66 C ATOM 719 O HIS A 48 -10.532 -33.199 5.562 1.00 16.66 O ATOM 720 CB HIS A 48 -12.382 -35.336 3.862 1.00 16.66 C ATOM 721 CG HIS A 48 -10.950 -35.780 3.749 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.278 -35.812 2.537 1.00 16.66 N ATOM 723 CD2 HIS A 48 -10.048 -36.210 4.689 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.028 -36.248 2.778 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.834 -36.505 4.074 1.00 50.00 N ATOM 0 H HIS A 48 -14.527 -34.173 4.365 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.298 -34.987 5.984 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -13.037 -36.202 3.957 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.683 -34.807 2.958 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -10.249 -36.305 5.746 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.273 -36.375 2.016 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.981 -36.844 4.518 1.00 50.00 H new ATOM 733 N MET A 49 -11.943 -32.256 4.166 1.00 16.66 N ATOM 734 CA MET A 49 -11.060 -31.074 4.006 1.00 16.66 C ATOM 735 C MET A 49 -10.857 -30.421 5.371 1.00 16.66 C ATOM 736 O MET A 49 -9.760 -30.055 5.743 1.00 16.66 O ATOM 737 CB MET A 49 -11.716 -30.077 3.053 1.00 16.66 C ATOM 738 CG MET A 49 -11.445 -30.498 1.607 1.00 16.66 C ATOM 739 SD MET A 49 -11.666 -29.074 0.513 1.00 16.66 S ATOM 740 CE MET A 49 -12.369 -29.973 -0.891 1.00 16.66 C ATOM 0 H MET A 49 -12.811 -32.227 3.630 1.00 16.66 H new ATOM 0 HA MET A 49 -10.097 -31.381 3.598 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.790 -30.036 3.236 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.324 -29.076 3.231 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.431 -30.888 1.514 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.123 -31.301 1.318 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.586 -29.274 -1.699 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.655 -30.719 -1.239 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.290 -30.468 -0.582 1.00 16.66 H new ATOM 750 N MET A 50 -11.911 -30.278 6.120 1.00 16.66 N ATOM 751 CA MET A 50 -11.791 -29.655 7.465 1.00 16.66 C ATOM 752 C MET A 50 -10.870 -30.510 8.332 1.00 16.66 C ATOM 753 O MET A 50 -9.973 -30.015 8.981 1.00 16.66 O ATOM 754 CB MET A 50 -13.173 -29.572 8.111 1.00 16.66 C ATOM 755 CG MET A 50 -13.825 -28.238 7.744 1.00 16.66 C ATOM 756 SD MET A 50 -15.257 -27.956 8.814 1.00 16.66 S ATOM 757 CE MET A 50 -14.350 -27.296 10.232 1.00 50.00 C ATOM 0 H MET A 50 -12.854 -30.566 5.858 1.00 16.66 H new ATOM 0 HA MET A 50 -11.376 -28.651 7.371 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.796 -30.400 7.771 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.087 -29.662 9.194 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.107 -27.426 7.857 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.134 -28.247 6.699 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.056 -26.918 10.971 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.747 -28.087 10.678 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.700 -26.485 9.903 1.00 50.00 H new ATOM 767 N ALA A 51 -11.082 -31.793 8.339 1.00 16.66 N ATOM 768 CA ALA A 51 -10.213 -32.687 9.155 1.00 16.66 C ATOM 769 C ALA A 51 -8.759 -32.507 8.719 1.00 16.66 C ATOM 770 O ALA A 51 -7.836 -32.793 9.455 1.00 16.66 O ATOM 771 CB ALA A 51 -10.634 -34.143 8.945 1.00 50.00 C ATOM 0 H ALA A 51 -11.820 -32.264 7.815 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.314 -32.433 10.210 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.997 -34.796 9.542 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.672 -34.269 9.251 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.532 -34.403 7.891 1.00 50.00 H new ATOM 777 N GLU A 52 -8.549 -32.027 7.524 1.00 16.66 N ATOM 778 CA GLU A 52 -7.158 -31.819 7.034 1.00 16.66 C ATOM 779 C GLU A 52 -6.743 -30.376 7.314 1.00 16.66 C ATOM 780 O GLU A 52 -5.607 -30.093 7.637 1.00 16.66 O ATOM 781 CB GLU A 52 -7.099 -32.085 5.529 1.00 16.66 C ATOM 782 CG GLU A 52 -6.976 -33.590 5.284 1.00 16.66 C ATOM 783 CD GLU A 52 -6.515 -33.836 3.845 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.364 -32.867 3.119 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.320 -34.988 3.495 1.00 16.66 O ATOM 0 H GLU A 52 -9.283 -31.769 6.864 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.482 -32.504 7.546 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.996 -31.699 5.045 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.249 -31.563 5.089 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.265 -34.027 5.985 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.935 -34.077 5.458 1.00 16.66 H new ATOM 792 N ILE A 53 -7.665 -29.463 7.200 1.00 16.66 N ATOM 793 CA ILE A 53 -7.347 -28.037 7.462 1.00 16.66 C ATOM 794 C ILE A 53 -7.362 -27.781 8.969 1.00 16.66 C ATOM 795 O ILE A 53 -6.641 -26.944 9.478 1.00 16.66 O ATOM 796 CB ILE A 53 -8.405 -27.168 6.793 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.387 -27.420 5.286 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.106 -25.699 7.079 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.538 -26.659 4.629 1.00 50.00 C ATOM 0 H ILE A 53 -8.632 -29.647 6.934 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.361 -27.798 7.064 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.391 -27.416 7.186 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.435 -27.097 4.864 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.480 -28.487 5.084 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.861 -25.074 6.602 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.121 -25.528 8.155 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.122 -25.444 6.684 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.526 -26.838 3.554 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.485 -27.003 5.044 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.425 -25.592 4.820 1.00 50.00 H new ATOM 811 N ASP A 54 -8.177 -28.501 9.684 1.00 16.66 N ATOM 812 CA ASP A 54 -8.254 -28.324 11.157 1.00 16.66 C ATOM 813 C ASP A 54 -6.885 -28.637 11.770 1.00 16.66 C ATOM 814 O ASP A 54 -6.515 -29.783 11.935 1.00 16.66 O ATOM 815 CB ASP A 54 -9.308 -29.294 11.696 1.00 16.66 C ATOM 816 CG ASP A 54 -9.902 -28.762 13.001 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.561 -27.658 13.377 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.698 -29.469 13.597 1.00 16.66 O ATOM 0 H ASP A 54 -8.801 -29.213 9.305 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.528 -27.301 11.413 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.098 -29.430 10.958 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.859 -30.272 11.865 1.00 16.66 H new ATOM 823 N THR A 55 -6.124 -27.625 12.093 1.00 16.66 N ATOM 824 CA THR A 55 -4.769 -27.861 12.674 1.00 16.66 C ATOM 825 C THR A 55 -4.886 -28.393 14.103 1.00 16.66 C ATOM 826 O THR A 55 -4.226 -29.344 14.475 1.00 16.66 O ATOM 827 CB THR A 55 -3.986 -26.546 12.688 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.720 -25.568 13.411 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.765 -26.067 11.253 1.00 50.00 C ATOM 0 H THR A 55 -6.382 -26.645 11.980 1.00 16.66 H new ATOM 0 HA THR A 55 -4.248 -28.599 12.063 1.00 16.66 H new ATOM 0 HB THR A 55 -3.020 -26.702 13.168 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.636 -25.886 13.555 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.207 -25.131 11.264 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.201 -26.819 10.701 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.729 -25.910 10.769 1.00 50.00 H new ATOM 837 N ASP A 56 -5.711 -27.791 14.908 1.00 16.66 N ATOM 838 CA ASP A 56 -5.853 -28.274 16.315 1.00 16.66 C ATOM 839 C ASP A 56 -6.886 -29.402 16.367 1.00 16.66 C ATOM 840 O ASP A 56 -6.791 -30.303 17.177 1.00 16.66 O ATOM 841 CB ASP A 56 -6.289 -27.126 17.235 1.00 16.66 C ATOM 842 CG ASP A 56 -7.218 -26.173 16.482 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.198 -26.644 15.936 1.00 16.66 O ATOM 844 OD2 ASP A 56 -6.931 -24.987 16.467 1.00 16.66 O ATOM 0 H ASP A 56 -6.292 -26.990 14.660 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.888 -28.647 16.659 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.798 -27.526 18.112 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.414 -26.585 17.594 1.00 16.66 H new ATOM 849 N GLY A 57 -7.863 -29.369 15.505 1.00 16.66 N ATOM 850 CA GLY A 57 -8.887 -30.453 15.502 1.00 16.66 C ATOM 851 C GLY A 57 -10.083 -30.054 16.372 1.00 16.66 C ATOM 852 O GLY A 57 -10.762 -30.897 16.924 1.00 16.66 O ATOM 0 H GLY A 57 -7.998 -28.641 14.804 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.219 -30.647 14.482 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.449 -31.378 15.876 1.00 16.66 H new ATOM 856 N ASP A 58 -10.354 -28.783 16.502 1.00 16.66 N ATOM 857 CA ASP A 58 -11.513 -28.363 17.341 1.00 16.66 C ATOM 858 C ASP A 58 -12.801 -28.458 16.515 1.00 16.66 C ATOM 859 O ASP A 58 -13.886 -28.228 17.012 1.00 16.66 O ATOM 860 CB ASP A 58 -11.308 -26.927 17.835 1.00 50.00 C ATOM 861 CG ASP A 58 -11.587 -25.942 16.701 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.054 -26.146 15.627 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.329 -25.001 16.928 1.00 50.00 O ATOM 0 H ASP A 58 -9.829 -28.024 16.068 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.592 -29.022 18.206 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -11.971 -26.724 18.676 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.287 -26.800 18.196 1.00 50.00 H new ATOM 868 N GLY A 59 -12.692 -28.810 15.261 1.00 16.66 N ATOM 869 CA GLY A 59 -13.913 -28.937 14.413 1.00 16.66 C ATOM 870 C GLY A 59 -14.100 -27.684 13.553 1.00 16.66 C ATOM 871 O GLY A 59 -14.971 -27.634 12.705 1.00 16.66 O ATOM 0 H GLY A 59 -11.812 -29.015 14.788 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.829 -29.815 13.773 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.788 -29.086 15.045 1.00 16.66 H new ATOM 875 N PHE A 60 -13.310 -26.668 13.762 1.00 16.66 N ATOM 876 CA PHE A 60 -13.477 -25.429 12.949 1.00 16.66 C ATOM 877 C PHE A 60 -12.128 -24.918 12.433 1.00 16.66 C ATOM 878 O PHE A 60 -11.072 -25.169 13.002 1.00 16.66 O ATOM 879 CB PHE A 60 -14.120 -24.336 13.801 1.00 50.00 C ATOM 880 CG PHE A 60 -15.348 -24.877 14.488 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.571 -24.905 13.811 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.264 -25.346 15.803 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.713 -25.402 14.449 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.405 -25.843 16.443 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.629 -25.871 15.765 1.00 50.00 C ATOM 0 H PHE A 60 -12.562 -26.640 14.454 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.113 -25.672 12.097 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.408 -23.974 14.542 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.388 -23.485 13.175 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.634 -24.543 12.795 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.319 -25.325 16.325 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.658 -25.424 13.927 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.341 -26.204 17.459 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.510 -26.255 16.258 1.00 50.00 H new ATOM 895 N ILE A 61 -12.159 -24.178 11.359 1.00 16.66 N ATOM 896 CA ILE A 61 -10.907 -23.621 10.800 1.00 16.66 C ATOM 897 C ILE A 61 -10.867 -22.121 11.098 1.00 16.66 C ATOM 898 O ILE A 61 -11.794 -21.395 10.800 1.00 16.66 O ATOM 899 CB ILE A 61 -10.880 -23.844 9.287 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.215 -25.306 8.979 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.487 -23.513 8.748 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.262 -26.226 9.745 1.00 16.66 C ATOM 0 H ILE A 61 -13.006 -23.937 10.845 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.044 -24.114 11.248 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.616 -23.197 8.811 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.246 -25.520 9.260 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.131 -25.490 7.908 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.467 -23.672 7.670 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.251 -22.472 8.966 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.750 -24.160 9.224 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.503 -27.266 9.523 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.235 -26.019 9.443 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.368 -26.049 10.815 1.00 16.66 H new ATOM 914 N SER A 62 -9.801 -21.649 11.675 1.00 16.66 N ATOM 915 CA SER A 62 -9.700 -20.198 11.980 1.00 16.66 C ATOM 916 C SER A 62 -8.988 -19.505 10.822 1.00 16.66 C ATOM 917 O SER A 62 -8.394 -20.146 9.978 1.00 16.66 O ATOM 918 CB SER A 62 -8.899 -19.997 13.268 1.00 16.66 C ATOM 919 OG SER A 62 -8.075 -21.131 13.496 1.00 16.66 O ATOM 0 H SER A 62 -8.993 -22.207 11.949 1.00 16.66 H new ATOM 0 HA SER A 62 -10.696 -19.776 12.112 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.286 -19.099 13.191 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.575 -19.851 14.110 1.00 16.66 H new ATOM 0 HG SER A 62 -7.561 -21.001 14.320 1.00 16.66 H new ATOM 925 N PHE A 63 -9.040 -18.208 10.766 1.00 16.66 N ATOM 926 CA PHE A 63 -8.360 -17.502 9.652 1.00 16.66 C ATOM 927 C PHE A 63 -6.901 -17.944 9.615 1.00 16.66 C ATOM 928 O PHE A 63 -6.338 -18.192 8.566 1.00 16.66 O ATOM 929 CB PHE A 63 -8.428 -15.993 9.866 1.00 16.66 C ATOM 930 CG PHE A 63 -7.727 -15.316 8.717 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.123 -15.593 7.404 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.679 -14.424 8.961 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.472 -14.975 6.333 1.00 16.66 C ATOM 934 CE2 PHE A 63 -6.025 -13.806 7.889 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.422 -14.081 6.574 1.00 16.66 C ATOM 0 H PHE A 63 -9.520 -17.610 11.438 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.853 -17.745 8.711 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.466 -15.665 9.923 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.956 -15.723 10.810 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.932 -16.284 7.218 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.374 -14.212 9.975 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.779 -15.187 5.319 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.214 -13.117 8.076 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.918 -13.604 5.747 1.00 16.66 H new ATOM 945 N GLN A 64 -6.290 -18.053 10.758 1.00 16.66 N ATOM 946 CA GLN A 64 -4.871 -18.487 10.809 1.00 16.66 C ATOM 947 C GLN A 64 -4.760 -19.895 10.220 1.00 16.66 C ATOM 948 O GLN A 64 -3.936 -20.160 9.367 1.00 16.66 O ATOM 949 CB GLN A 64 -4.411 -18.500 12.264 1.00 16.66 C ATOM 950 CG GLN A 64 -2.903 -18.752 12.323 1.00 16.66 C ATOM 951 CD GLN A 64 -2.158 -17.509 11.829 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.270 -16.449 12.410 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.397 -17.598 10.772 1.00 50.00 N ATOM 0 H GLN A 64 -6.716 -17.859 11.664 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.246 -17.803 10.235 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.650 -17.549 12.740 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.941 -19.275 12.817 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.603 -18.987 13.344 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.643 -19.613 11.708 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.303 -18.489 10.284 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.896 -16.776 10.434 1.00 50.00 H new ATOM 962 N GLU A 65 -5.591 -20.799 10.665 1.00 16.66 N ATOM 963 CA GLU A 65 -5.544 -22.188 10.129 1.00 16.66 C ATOM 964 C GLU A 65 -5.761 -22.146 8.617 1.00 16.66 C ATOM 965 O GLU A 65 -5.044 -22.764 7.856 1.00 16.66 O ATOM 966 CB GLU A 65 -6.655 -23.018 10.772 1.00 16.66 C ATOM 967 CG GLU A 65 -6.137 -23.691 12.045 1.00 16.66 C ATOM 968 CD GLU A 65 -7.292 -24.412 12.751 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.426 -24.110 12.451 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.024 -25.252 13.579 1.00 16.66 O ATOM 0 H GLU A 65 -6.301 -20.634 11.378 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.576 -22.636 10.354 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.506 -22.380 11.009 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -7.009 -23.773 10.070 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.348 -24.401 11.798 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.699 -22.947 12.710 1.00 16.66 H new ATOM 977 N PHE A 66 -6.751 -21.418 8.181 1.00 16.66 N ATOM 978 CA PHE A 66 -7.025 -21.328 6.722 1.00 16.66 C ATOM 979 C PHE A 66 -5.815 -20.717 6.018 1.00 16.66 C ATOM 980 O PHE A 66 -5.422 -21.142 4.950 1.00 16.66 O ATOM 981 CB PHE A 66 -8.253 -20.445 6.495 1.00 16.66 C ATOM 982 CG PHE A 66 -8.619 -20.454 5.029 1.00 16.66 C ATOM 983 CD1 PHE A 66 -9.467 -21.447 4.525 1.00 16.66 C ATOM 984 CD2 PHE A 66 -8.111 -19.467 4.177 1.00 16.66 C ATOM 985 CE1 PHE A 66 -9.807 -21.452 3.167 1.00 16.66 C ATOM 986 CE2 PHE A 66 -8.451 -19.473 2.820 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.299 -20.466 2.314 1.00 16.66 C ATOM 0 H PHE A 66 -7.383 -20.881 8.775 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.213 -22.323 6.319 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.090 -20.808 7.091 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -8.046 -19.426 6.823 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -9.859 -22.209 5.183 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -7.457 -18.701 4.567 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -10.462 -22.217 2.777 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -8.059 -18.711 2.162 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.561 -20.471 1.266 1.00 16.66 H new ATOM 997 N THR A 67 -5.218 -19.725 6.615 1.00 16.66 N ATOM 998 CA THR A 67 -4.028 -19.084 5.991 1.00 16.66 C ATOM 999 C THR A 67 -2.882 -20.096 5.934 1.00 16.66 C ATOM 1000 O THR A 67 -2.235 -20.258 4.919 1.00 16.66 O ATOM 1001 CB THR A 67 -3.604 -17.876 6.831 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.540 -16.823 6.647 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.214 -17.408 6.394 1.00 50.00 C ATOM 0 H THR A 67 -5.503 -19.329 7.511 1.00 16.66 H new ATOM 0 HA THR A 67 -4.274 -18.755 4.981 1.00 16.66 H new ATOM 0 HB THR A 67 -3.574 -18.158 7.884 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.333 -16.990 7.198 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.914 -16.548 6.993 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.497 -18.216 6.535 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.239 -17.126 5.342 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.630 -20.781 7.016 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.528 -21.783 7.022 1.00 25.00 C ATOM 1013 C ASP A 68 -1.804 -22.846 5.958 1.00 25.00 C ATOM 1014 O ASP A 68 -0.907 -23.321 5.290 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.445 -22.446 8.398 1.00 25.00 C ATOM 1016 CG ASP A 68 -1.126 -21.389 9.456 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.681 -20.317 9.080 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.333 -21.668 10.626 1.00 50.00 O ATOM 0 H ASP A 68 -3.139 -20.690 7.895 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.583 -21.286 6.804 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.389 -22.938 8.634 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.675 -23.217 8.396 1.00 25.00 H new ATOM 1023 N PHE A 69 -3.043 -23.220 5.792 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.384 -24.245 4.773 1.00 25.00 C ATOM 1025 C PHE A 69 -3.402 -23.579 3.393 1.00 25.00 C ATOM 1026 O PHE A 69 -2.990 -24.157 2.407 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.760 -24.847 5.125 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.540 -25.168 3.875 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.133 -24.133 3.148 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.665 -26.492 3.443 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.853 -24.420 1.983 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.385 -26.781 2.280 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.979 -25.745 1.548 1.00 50.00 C ATOM 0 H PHE A 69 -3.835 -22.857 6.322 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.647 -25.048 4.758 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.625 -25.752 5.717 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.323 -24.145 5.740 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -6.036 -23.112 3.485 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.206 -27.290 4.007 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.311 -23.620 1.420 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.483 -27.803 1.946 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.534 -25.968 0.649 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.873 -22.366 3.320 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.915 -21.659 2.009 1.00 16.66 C ATOM 1045 C GLY A 70 -2.493 -21.525 1.459 1.00 16.66 C ATOM 1046 O GLY A 70 -2.281 -21.483 0.263 1.00 16.66 O ATOM 0 H GLY A 70 -4.231 -21.833 4.112 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.539 -22.211 1.305 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.365 -20.673 2.129 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.517 -21.460 2.323 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.111 -21.332 1.848 1.00 25.00 C ATOM 1052 C ARG A 71 0.348 -22.669 1.267 1.00 25.00 C ATOM 1053 O ARG A 71 1.108 -22.719 0.319 1.00 25.00 O ATOM 1054 CB ARG A 71 0.793 -20.945 3.021 1.00 50.00 C ATOM 1055 CG ARG A 71 0.463 -19.520 3.468 1.00 50.00 C ATOM 1056 CD ARG A 71 1.448 -19.085 4.556 1.00 50.00 C ATOM 1057 NE ARG A 71 1.542 -20.150 5.594 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.454 -20.076 6.524 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.089 -18.954 6.728 1.00 50.00 N ATOM 1060 NH2 ARG A 71 2.732 -21.122 7.251 1.00 50.00 N ATOM 0 H ARG A 71 -1.633 -21.490 3.336 1.00 25.00 H new ATOM 0 HA ARG A 71 -0.053 -20.561 1.080 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.651 -21.640 3.849 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.840 -21.012 2.725 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.519 -18.839 2.619 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.558 -19.474 3.847 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.430 -18.899 4.120 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.118 -18.150 5.008 1.00 50.00 H new ATOM 0 HE ARG A 71 0.893 -20.937 5.577 1.00 50.00 H new ATOM 0 HH11 ARG A 71 2.872 -18.135 6.160 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.802 -18.896 7.455 1.00 50.00 H new ATOM 0 HH21 ARG A 71 2.236 -21.999 7.093 1.00 50.00 H new ATOM 0 HH22 ARG A 71 3.445 -21.063 7.978 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.109 -23.753 1.827 1.00 25.00 N ATOM 1075 CA ALA A 72 0.295 -25.089 1.308 1.00 25.00 C ATOM 1076 C ALA A 72 -0.284 -25.284 -0.094 1.00 25.00 C ATOM 1077 O ALA A 72 0.155 -26.130 -0.847 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.243 -26.179 2.238 1.00 50.00 C ATOM 0 H ALA A 72 -0.746 -23.772 2.623 1.00 25.00 H new ATOM 0 HA ALA A 72 1.382 -25.151 1.265 1.00 25.00 H new ATOM 0 HB1 ALA A 72 0.052 -27.158 1.860 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.166 -26.038 3.238 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.331 -26.118 2.279 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.266 -24.502 -0.451 1.00 25.00 N ATOM 1085 CA ASN A 73 -1.875 -24.634 -1.804 1.00 25.00 C ATOM 1086 C ASN A 73 -2.360 -23.263 -2.275 1.00 25.00 C ATOM 1087 O ASN A 73 -3.513 -23.085 -2.615 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.059 -25.601 -1.741 1.00 25.00 C ATOM 1089 CG ASN A 73 -2.760 -26.709 -0.730 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -1.907 -27.543 -0.958 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.433 -26.752 0.387 1.00 50.00 N ATOM 0 H ASN A 73 -1.673 -23.776 0.138 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.132 -25.019 -2.502 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -3.964 -25.066 -1.453 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.243 -26.032 -2.725 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.243 -27.486 1.069 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.149 -26.051 0.578 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.490 -22.291 -2.295 1.00 25.00 N ATOM 1099 CA ARG A 74 -1.902 -20.933 -2.743 1.00 25.00 C ATOM 1100 C ARG A 74 -2.619 -21.054 -4.082 1.00 25.00 C ATOM 1101 O ARG A 74 -3.622 -20.414 -4.327 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.667 -20.044 -2.899 1.00 25.00 C ATOM 1103 CG ARG A 74 0.303 -20.686 -3.892 1.00 25.00 C ATOM 1104 CD ARG A 74 1.597 -19.871 -3.939 1.00 25.00 C ATOM 1105 NE ARG A 74 1.267 -18.420 -4.000 1.00 25.00 N ATOM 1106 CZ ARG A 74 1.755 -17.601 -3.108 1.00 50.00 C ATOM 1107 NH1 ARG A 74 1.641 -17.876 -1.838 1.00 50.00 N ATOM 1108 NH2 ARG A 74 2.355 -16.506 -3.487 1.00 50.00 N ATOM 0 H ARG A 74 -0.512 -22.380 -2.020 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.568 -20.487 -2.005 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.960 -19.054 -3.249 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.179 -19.909 -1.934 1.00 25.00 H new ATOM 0 HG2 ARG A 74 0.518 -21.713 -3.595 1.00 25.00 H new ATOM 0 HG3 ARG A 74 -0.149 -20.728 -4.883 1.00 25.00 H new ATOM 0 HD2 ARG A 74 2.204 -20.080 -3.058 1.00 25.00 H new ATOM 0 HD3 ARG A 74 2.189 -20.157 -4.809 1.00 25.00 H new ATOM 0 HE ARG A 74 0.660 -18.066 -4.739 1.00 25.00 H new ATOM 0 HH11 ARG A 74 1.171 -18.731 -1.542 1.00 50.00 H new ATOM 0 HH12 ARG A 74 2.022 -17.236 -1.141 1.00 50.00 H new ATOM 0 HH21 ARG A 74 2.443 -16.290 -4.480 1.00 50.00 H new ATOM 0 HH22 ARG A 74 2.736 -15.866 -2.790 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.110 -21.881 -4.948 1.00 25.00 N ATOM 1123 CA GLY A 75 -2.753 -22.064 -6.274 1.00 25.00 C ATOM 1124 C GLY A 75 -4.224 -22.434 -6.077 1.00 25.00 C ATOM 1125 O GLY A 75 -5.039 -22.281 -6.964 1.00 25.00 O ATOM 0 H GLY A 75 -1.272 -22.441 -4.793 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -2.672 -21.148 -6.860 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.241 -22.847 -6.834 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.569 -22.917 -4.915 1.00 25.00 N ATOM 1130 CA LEU A 76 -5.986 -23.294 -4.654 1.00 25.00 C ATOM 1131 C LEU A 76 -6.793 -22.038 -4.329 1.00 25.00 C ATOM 1132 O LEU A 76 -7.904 -21.861 -4.789 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.050 -24.259 -3.468 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.479 -25.618 -3.881 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.599 -26.597 -2.710 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.260 -26.157 -5.080 1.00 50.00 C ATOM 0 H LEU A 76 -3.930 -23.067 -4.134 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.401 -23.778 -5.538 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.485 -23.856 -2.627 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.081 -24.373 -3.134 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.430 -25.504 -4.154 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.193 -27.565 -3.002 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.042 -26.213 -1.856 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.648 -26.711 -2.437 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -5.853 -27.125 -5.374 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.309 -26.272 -4.809 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.175 -25.459 -5.913 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.242 -21.170 -3.529 1.00 25.00 N ATOM 1149 CA LEU A 77 -6.970 -19.926 -3.154 1.00 25.00 C ATOM 1150 C LEU A 77 -7.255 -19.096 -4.404 1.00 25.00 C ATOM 1151 O LEU A 77 -8.320 -18.533 -4.559 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.106 -19.113 -2.187 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.159 -19.731 -0.784 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -7.462 -19.325 -0.097 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -6.087 -21.259 -0.875 1.00 50.00 C ATOM 0 H LEU A 77 -5.314 -21.269 -3.117 1.00 25.00 H new ATOM 0 HA LEU A 77 -7.914 -20.187 -2.676 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.076 -19.086 -2.542 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.458 -18.082 -2.152 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.309 -19.369 -0.206 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -7.500 -19.764 0.900 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -7.508 -18.239 -0.017 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -8.309 -19.682 -0.683 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.126 -21.685 0.127 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -6.930 -21.629 -1.459 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -5.155 -21.551 -1.358 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.311 -19.011 -5.295 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.525 -18.212 -6.534 1.00 25.00 C ATOM 1169 C LYS A 78 -7.665 -18.829 -7.345 1.00 25.00 C ATOM 1170 O LYS A 78 -8.470 -18.134 -7.933 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.244 -18.213 -7.368 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.107 -17.597 -6.551 1.00 25.00 C ATOM 1173 CD LYS A 78 -2.777 -17.820 -7.275 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.820 -17.132 -8.641 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.901 -15.957 -8.634 1.00 50.00 N ATOM 0 H LYS A 78 -5.398 -19.460 -5.221 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.782 -17.187 -6.268 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -4.987 -19.231 -7.659 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.395 -17.647 -8.287 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.282 -16.530 -6.411 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.073 -18.047 -5.559 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -1.955 -17.421 -6.680 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.592 -18.887 -7.399 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -2.526 -17.833 -9.423 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.837 -16.811 -8.867 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.929 -15.489 -9.562 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -2.201 -15.286 -7.898 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -0.931 -16.276 -8.437 1.00 50.00 H new ATOM 1189 N ASP A 79 -7.737 -20.128 -7.380 1.00 25.00 N ATOM 1190 CA ASP A 79 -8.822 -20.796 -8.152 1.00 25.00 C ATOM 1191 C ASP A 79 -10.148 -20.645 -7.407 1.00 25.00 C ATOM 1192 O ASP A 79 -11.150 -20.257 -7.974 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.495 -22.281 -8.307 1.00 25.00 C ATOM 1194 CG ASP A 79 -7.766 -22.508 -9.632 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -7.701 -21.576 -10.417 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -7.286 -23.610 -9.841 1.00 50.00 O ATOM 0 H ASP A 79 -7.090 -20.759 -6.907 1.00 25.00 H new ATOM 0 HA ASP A 79 -8.903 -20.334 -9.136 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -7.874 -22.616 -7.476 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.411 -22.871 -8.278 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.161 -20.952 -6.142 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.419 -20.832 -5.355 1.00 25.00 C ATOM 1203 C VAL A 80 -11.823 -19.364 -5.257 1.00 25.00 C ATOM 1204 O VAL A 80 -12.976 -19.009 -5.397 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.185 -21.392 -3.948 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.429 -20.371 -3.092 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.533 -21.706 -3.296 1.00 50.00 C ATOM 0 H VAL A 80 -9.352 -21.282 -5.616 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.214 -21.392 -5.847 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.590 -22.302 -4.021 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.269 -20.780 -2.095 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.466 -20.151 -3.553 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.014 -19.454 -3.018 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.369 -22.105 -2.295 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.127 -20.794 -3.231 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.065 -22.443 -3.897 1.00 50.00 H new ATOM 1217 N ALA A 81 -10.872 -18.516 -5.008 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.176 -17.062 -4.887 1.00 25.00 C ATOM 1219 C ALA A 81 -11.999 -16.601 -6.090 1.00 25.00 C ATOM 1220 O ALA A 81 -12.911 -15.807 -5.963 1.00 25.00 O ATOM 1221 CB ALA A 81 -9.867 -16.272 -4.833 1.00 50.00 C ATOM 0 H ALA A 81 -9.891 -18.765 -4.882 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.747 -16.889 -3.975 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.087 -15.208 -4.745 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.283 -16.594 -3.971 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.297 -16.450 -5.745 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.682 -17.083 -7.257 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.442 -16.664 -8.469 1.00 25.00 C ATOM 1229 C LYS A 82 -13.876 -17.187 -8.384 1.00 25.00 C ATOM 1230 O LYS A 82 -14.786 -16.628 -8.964 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.765 -17.235 -9.717 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.393 -16.583 -9.895 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.823 -16.957 -11.265 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.370 -16.488 -11.359 1.00 50.00 C ATOM 1235 NZ LYS A 82 -8.324 -15.136 -11.985 1.00 50.00 N ATOM 0 H LYS A 82 -10.929 -17.750 -7.426 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.458 -15.576 -8.527 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.657 -18.316 -9.623 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.384 -17.052 -10.596 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.480 -15.500 -9.809 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.717 -16.912 -9.106 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.878 -18.036 -11.411 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.416 -16.497 -12.055 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -7.922 -16.456 -10.366 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -7.786 -17.194 -11.950 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -7.336 -14.817 -12.049 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.736 -15.181 -12.939 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.867 -14.466 -11.404 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.086 -18.256 -7.669 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.462 -18.813 -7.550 1.00 25.00 C ATOM 1251 C ILE A 83 -16.365 -17.795 -6.856 1.00 25.00 C ATOM 1252 O ILE A 83 -17.477 -17.543 -7.278 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.417 -20.101 -6.729 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.368 -21.045 -7.321 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -16.791 -20.772 -6.763 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.535 -22.442 -6.717 1.00 50.00 C ATOM 0 H ILE A 83 -13.364 -18.768 -7.162 1.00 25.00 H new ATOM 0 HA ILE A 83 -15.857 -19.028 -8.543 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.153 -19.869 -5.697 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.476 -21.091 -8.405 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.367 -20.667 -7.116 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -16.762 -21.691 -6.178 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.536 -20.097 -6.341 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.056 -21.006 -7.794 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -13.787 -23.113 -7.140 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.405 -22.389 -5.636 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.532 -22.820 -6.945 1.00 50.00 H new ATOM 1268 N PHE A 84 -15.894 -17.207 -5.794 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.721 -16.203 -5.067 1.00 25.00 C ATOM 1270 C PHE A 84 -16.495 -14.819 -5.678 1.00 25.00 C ATOM 1271 O PHE A 84 -16.122 -14.759 -6.839 1.00 99.99 O ATOM 1272 CB PHE A 84 -16.316 -16.181 -3.592 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.597 -17.530 -2.973 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -15.656 -18.560 -3.081 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -17.801 -17.750 -2.293 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -15.918 -19.810 -2.507 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.063 -19.000 -1.719 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.121 -20.030 -1.827 1.00 50.00 C ATOM 1279 OXT PHE A 84 -16.698 -13.843 -4.976 1.00 25.00 O ATOM 0 H PHE A 84 -14.970 -17.378 -5.396 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.774 -16.470 -5.151 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.257 -15.939 -3.498 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -16.869 -15.404 -3.064 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -14.728 -18.391 -3.607 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.528 -16.955 -2.211 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.191 -20.605 -2.589 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -18.991 -19.169 -1.193 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.323 -20.995 -1.385 1.00 50.00 H new