USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.66! C(o=-3.7!,f=-7.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 130:sc= -2.74! USER MOD Single : A 40 SER OG : rot 39:sc= 0.109 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0689 USER MOD Single : A 47 LYS NZ :NH3+ -163:sc=-0.00142 (180deg=-0.205) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 171:sc= -9.38! (180deg=-10!) USER MOD Single : A 55 THR OG1 : rot -18:sc= -2.79! USER MOD Single : A 62 SER OG : rot 180:sc= 0.073 USER MOD Single : A 64 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.16) USER MOD Single : A 67 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 73 ASN : amide:sc= -1.91! C(o=-1.9!,f=-2.6!) 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 -1.323 -10.351 0.169 1.00 16.66 N ATOM 86 CA ASP A 7 -1.942 -11.698 0.017 1.00 16.66 C ATOM 87 C ASP A 7 -2.947 -11.924 1.147 1.00 16.66 C ATOM 88 O ASP A 7 -4.027 -12.439 0.936 1.00 16.66 O ATOM 89 CB ASP A 7 -0.853 -12.771 0.080 1.00 16.66 C ATOM 90 CG ASP A 7 -0.018 -12.727 -1.201 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.484 -12.150 -2.170 1.00 50.00 O ATOM 92 OD2 ASP A 7 1.075 -13.269 -1.192 1.00 50.00 O ATOM 0 HA ASP A 7 -2.454 -11.758 -0.944 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.215 -12.606 0.948 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.305 -13.756 0.199 1.00 16.66 H new ATOM 97 N LYS A 8 -2.598 -11.541 2.342 1.00 16.66 N ATOM 98 CA LYS A 8 -3.532 -11.730 3.486 1.00 16.66 C ATOM 99 C LYS A 8 -4.888 -11.118 3.138 1.00 16.66 C ATOM 100 O LYS A 8 -5.926 -11.635 3.498 1.00 16.66 O ATOM 101 CB LYS A 8 -2.964 -11.043 4.728 1.00 16.66 C ATOM 102 CG LYS A 8 -1.999 -11.994 5.436 1.00 16.66 C ATOM 103 CD LYS A 8 -1.870 -11.588 6.905 1.00 16.66 C ATOM 104 CE LYS A 8 -0.797 -12.447 7.578 1.00 50.00 C ATOM 105 NZ LYS A 8 0.514 -11.739 7.521 1.00 50.00 N ATOM 0 H LYS A 8 -1.706 -11.105 2.577 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.653 -12.795 3.686 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.447 -10.126 4.446 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.772 -10.759 5.402 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.361 -13.019 5.361 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -1.023 -11.965 4.952 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.607 -10.533 6.980 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.825 -11.715 7.414 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -1.071 -12.644 8.614 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.723 -13.413 7.078 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.244 -12.322 7.978 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.776 -11.572 6.528 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.438 -10.828 8.017 1.00 50.00 H new ATOM 119 N ALA A 9 -4.884 -10.021 2.435 1.00 16.66 N ATOM 120 CA ALA A 9 -6.173 -9.379 2.059 1.00 16.66 C ATOM 121 C ALA A 9 -6.999 -10.378 1.255 1.00 16.66 C ATOM 122 O ALA A 9 -8.179 -10.555 1.483 1.00 16.66 O ATOM 123 CB ALA A 9 -5.901 -8.135 1.210 1.00 16.66 C ATOM 0 H ALA A 9 -4.046 -9.542 2.105 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.717 -9.083 2.956 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.847 -7.667 0.936 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.299 -7.429 1.782 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.363 -8.422 0.306 1.00 16.66 H new ATOM 129 N GLU A 10 -6.380 -11.040 0.321 1.00 16.66 N ATOM 130 CA GLU A 10 -7.120 -12.042 -0.496 1.00 16.66 C ATOM 131 C GLU A 10 -7.515 -13.214 0.400 1.00 16.66 C ATOM 132 O GLU A 10 -8.623 -13.707 0.345 1.00 16.66 O ATOM 133 CB GLU A 10 -6.222 -12.542 -1.629 1.00 16.66 C ATOM 134 CG GLU A 10 -5.675 -11.347 -2.414 1.00 16.66 C ATOM 135 CD GLU A 10 -5.004 -11.842 -3.697 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.756 -13.033 -3.791 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.749 -11.022 -4.563 1.00 16.66 O ATOM 0 H GLU A 10 -5.393 -10.932 0.087 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.013 -11.586 -0.923 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.400 -13.130 -1.222 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.786 -13.198 -2.292 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.483 -10.657 -2.657 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -4.958 -10.796 -1.805 1.00 16.66 H new ATOM 144 N ARG A 11 -6.614 -13.657 1.229 1.00 16.66 N ATOM 145 CA ARG A 11 -6.926 -14.793 2.139 1.00 16.66 C ATOM 146 C ARG A 11 -7.993 -14.359 3.143 1.00 16.66 C ATOM 147 O ARG A 11 -8.888 -15.109 3.481 1.00 16.66 O ATOM 148 CB ARG A 11 -5.660 -15.194 2.894 1.00 16.66 C ATOM 149 CG ARG A 11 -4.684 -15.871 1.932 1.00 16.66 C ATOM 150 CD ARG A 11 -3.632 -16.641 2.732 1.00 50.00 C ATOM 151 NE ARG A 11 -2.374 -16.728 1.940 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.032 -17.856 1.380 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.224 -18.672 1.997 1.00 50.00 N ATOM 154 NH2 ARG A 11 -2.498 -18.166 0.201 1.00 50.00 N ATOM 0 H ARG A 11 -5.670 -13.280 1.316 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.292 -15.639 1.557 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.196 -14.314 3.340 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.910 -15.871 3.711 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.221 -16.550 1.270 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.202 -15.124 1.301 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.443 -16.140 3.682 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -3.997 -17.641 2.966 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.780 -15.906 1.835 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -0.859 -18.429 2.918 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -0.957 -19.554 1.559 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -3.129 -17.527 -0.282 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -2.231 -19.048 -0.237 1.00 50.00 H new ATOM 168 N GLU A 12 -7.901 -13.152 3.621 1.00 16.66 N ATOM 169 CA GLU A 12 -8.901 -12.656 4.606 1.00 16.66 C ATOM 170 C GLU A 12 -10.264 -12.532 3.926 1.00 16.66 C ATOM 171 O GLU A 12 -11.284 -12.870 4.491 1.00 16.66 O ATOM 172 CB GLU A 12 -8.465 -11.288 5.131 1.00 16.66 C ATOM 173 CG GLU A 12 -7.620 -11.468 6.394 1.00 16.66 C ATOM 174 CD GLU A 12 -7.595 -10.158 7.182 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.328 -9.254 6.816 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.844 -10.079 8.141 1.00 50.00 O ATOM 0 H GLU A 12 -7.173 -12.483 3.371 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.972 -13.357 5.438 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.891 -10.761 4.369 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.340 -10.676 5.351 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -8.033 -12.267 7.010 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.605 -11.763 6.127 1.00 16.66 H new ATOM 183 N ARG A 13 -10.287 -12.051 2.715 1.00 16.66 N ATOM 184 CA ARG A 13 -11.583 -11.910 1.998 1.00 16.66 C ATOM 185 C ARG A 13 -12.134 -13.299 1.683 1.00 16.66 C ATOM 186 O ARG A 13 -13.316 -13.552 1.802 1.00 16.66 O ATOM 187 CB ARG A 13 -11.369 -11.133 0.698 1.00 16.66 C ATOM 188 CG ARG A 13 -10.858 -9.727 1.022 1.00 16.66 C ATOM 189 CD ARG A 13 -10.105 -9.165 -0.186 1.00 16.66 C ATOM 190 NE ARG A 13 -10.339 -7.695 -0.276 1.00 50.00 N ATOM 191 CZ ARG A 13 -9.353 -6.895 -0.576 1.00 50.00 C ATOM 192 NH1 ARG A 13 -8.654 -7.098 -1.660 1.00 50.00 N ATOM 193 NH2 ARG A 13 -9.066 -5.891 0.205 1.00 50.00 N ATOM 0 H ARG A 13 -9.465 -11.750 2.192 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.292 -11.369 2.624 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.652 -11.655 0.064 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.303 -11.072 0.140 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.693 -9.075 1.278 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.200 -9.759 1.891 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.039 -9.369 -0.091 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.443 -9.655 -1.099 1.00 16.66 H new ATOM 0 HE ARG A 13 -11.270 -7.315 -0.103 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -8.879 -7.882 -2.272 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -7.883 -6.472 -1.894 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -9.613 -5.731 1.051 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -8.295 -5.266 -0.030 1.00 50.00 H new ATOM 207 N ILE A 14 -11.282 -14.204 1.295 1.00 16.66 N ATOM 208 CA ILE A 14 -11.750 -15.582 0.984 1.00 16.66 C ATOM 209 C ILE A 14 -12.148 -16.279 2.284 1.00 16.66 C ATOM 210 O ILE A 14 -13.176 -16.921 2.368 1.00 16.66 O ATOM 211 CB ILE A 14 -10.620 -16.359 0.311 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.149 -15.597 -0.929 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.127 -17.742 -0.099 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.704 -15.986 -1.249 1.00 50.00 C ATOM 0 H ILE A 14 -10.280 -14.049 1.180 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.609 -15.540 0.314 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.788 -16.470 1.006 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.795 -15.826 -1.777 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.218 -14.523 -0.757 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.321 -18.297 -0.579 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.464 -18.283 0.785 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -11.958 -17.633 -0.796 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.368 -15.443 -2.133 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.064 -15.734 -0.403 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.649 -17.058 -1.439 1.00 50.00 H new ATOM 226 N PHE A 15 -11.342 -16.154 3.304 1.00 16.66 N ATOM 227 CA PHE A 15 -11.685 -16.805 4.597 1.00 16.66 C ATOM 228 C PHE A 15 -12.947 -16.156 5.162 1.00 16.66 C ATOM 229 O PHE A 15 -13.784 -16.807 5.754 1.00 16.66 O ATOM 230 CB PHE A 15 -10.535 -16.639 5.591 1.00 16.66 C ATOM 231 CG PHE A 15 -10.910 -17.314 6.889 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.658 -18.680 7.064 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.517 -16.578 7.913 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.013 -19.311 8.262 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.872 -17.209 9.113 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.619 -18.576 9.287 1.00 16.66 C ATOM 0 H PHE A 15 -10.466 -15.632 3.297 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.856 -17.869 4.432 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.622 -17.077 5.188 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.333 -15.581 5.761 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.189 -19.248 6.274 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.712 -15.524 7.779 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.819 -20.365 8.395 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.341 -16.642 9.904 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.892 -19.062 10.212 1.00 16.66 H new ATOM 246 N LYS A 16 -13.093 -14.873 4.975 1.00 16.66 N ATOM 247 CA LYS A 16 -14.305 -14.179 5.492 1.00 16.66 C ATOM 248 C LYS A 16 -15.534 -14.690 4.741 1.00 16.66 C ATOM 249 O LYS A 16 -16.627 -14.725 5.269 1.00 16.66 O ATOM 250 CB LYS A 16 -14.162 -12.672 5.277 1.00 50.00 C ATOM 251 CG LYS A 16 -13.309 -12.077 6.398 1.00 50.00 C ATOM 252 CD LYS A 16 -14.129 -12.022 7.689 1.00 50.00 C ATOM 253 CE LYS A 16 -13.276 -11.424 8.809 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.849 -12.505 9.741 1.00 50.00 N ATOM 0 H LYS A 16 -12.426 -14.276 4.487 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.417 -14.381 6.557 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.700 -12.474 4.310 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.145 -12.201 5.264 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -12.414 -12.681 6.548 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.975 -11.076 6.124 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -15.025 -11.420 7.538 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.461 -13.023 7.965 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -12.402 -10.926 8.389 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -13.845 -10.667 9.349 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -12.269 -12.098 10.502 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.689 -12.961 10.151 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -12.291 -13.212 9.221 1.00 50.00 H new ATOM 268 N ARG A 17 -15.361 -15.096 3.511 1.00 16.66 N ATOM 269 CA ARG A 17 -16.518 -15.613 2.729 1.00 16.66 C ATOM 270 C ARG A 17 -16.939 -16.968 3.297 1.00 16.66 C ATOM 271 O ARG A 17 -18.111 -17.276 3.394 1.00 16.66 O ATOM 272 CB ARG A 17 -16.113 -15.779 1.263 1.00 16.66 C ATOM 273 CG ARG A 17 -16.068 -14.407 0.589 1.00 16.66 C ATOM 274 CD ARG A 17 -16.114 -14.584 -0.930 1.00 50.00 C ATOM 275 NE ARG A 17 -15.592 -13.354 -1.588 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.654 -13.445 -2.492 1.00 50.00 C ATOM 277 NH1 ARG A 17 -14.930 -13.202 -3.744 1.00 50.00 N ATOM 278 NH2 ARG A 17 -13.442 -13.779 -2.142 1.00 50.00 N ATOM 0 H ARG A 17 -14.469 -15.091 3.016 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.349 -14.911 2.796 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.138 -16.261 1.196 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.824 -16.426 0.749 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -16.910 -13.799 0.921 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.160 -13.878 0.877 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.518 -15.448 -1.225 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.137 -14.777 -1.254 1.00 50.00 H new ATOM 0 HE ARG A 17 -15.967 -12.441 -1.333 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -15.878 -12.941 -4.016 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -14.198 -13.273 -4.451 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -13.228 -13.969 -1.163 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -12.709 -13.850 -2.847 1.00 50.00 H new ATOM 292 N PHE A 18 -15.990 -17.777 3.674 1.00 16.66 N ATOM 293 CA PHE A 18 -16.329 -19.113 4.239 1.00 16.66 C ATOM 294 C PHE A 18 -16.997 -18.931 5.601 1.00 16.66 C ATOM 295 O PHE A 18 -18.034 -19.501 5.876 1.00 16.66 O ATOM 296 CB PHE A 18 -15.052 -19.940 4.394 1.00 16.66 C ATOM 297 CG PHE A 18 -14.645 -20.493 3.048 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.291 -21.622 2.530 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.623 -19.874 2.317 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.914 -22.133 1.282 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.246 -20.386 1.069 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.892 -21.515 0.552 1.00 16.66 C ATOM 0 H PHE A 18 -14.993 -17.571 3.615 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.013 -19.633 3.568 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.253 -19.322 4.802 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.217 -20.755 5.099 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.080 -22.099 3.093 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.126 -19.002 2.716 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.412 -23.004 0.883 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.457 -19.910 0.506 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.602 -21.909 -0.411 1.00 16.66 H new ATOM 312 N ASP A 19 -16.419 -18.134 6.454 1.00 16.66 N ATOM 313 CA ASP A 19 -17.031 -17.910 7.793 1.00 16.66 C ATOM 314 C ASP A 19 -18.455 -17.379 7.597 1.00 16.66 C ATOM 315 O ASP A 19 -18.658 -16.231 7.254 1.00 16.66 O ATOM 316 CB ASP A 19 -16.194 -16.894 8.578 1.00 16.66 C ATOM 317 CG ASP A 19 -16.476 -17.057 10.066 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.278 -17.907 10.397 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.881 -16.334 10.848 1.00 16.66 O ATOM 0 H ASP A 19 -15.550 -17.628 6.283 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.061 -18.845 8.353 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.133 -17.046 8.378 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.437 -15.881 8.258 1.00 16.66 H new ATOM 324 N ALA A 20 -19.443 -18.216 7.785 1.00 16.66 N ATOM 325 CA ALA A 20 -20.856 -17.779 7.579 1.00 16.66 C ATOM 326 C ALA A 20 -21.262 -16.698 8.589 1.00 16.66 C ATOM 327 O ALA A 20 -21.763 -15.658 8.214 1.00 16.66 O ATOM 328 CB ALA A 20 -21.782 -18.985 7.738 1.00 50.00 C ATOM 0 H ALA A 20 -19.331 -19.188 8.074 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.940 -17.359 6.577 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.815 -18.672 7.589 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.522 -19.743 6.999 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.670 -19.400 8.739 1.00 50.00 H new ATOM 334 N ASN A 21 -21.069 -16.928 9.861 1.00 16.66 N ATOM 335 CA ASN A 21 -21.474 -15.892 10.856 1.00 16.66 C ATOM 336 C ASN A 21 -20.318 -14.919 11.089 1.00 16.66 C ATOM 337 O ASN A 21 -20.514 -13.798 11.516 1.00 16.66 O ATOM 338 CB ASN A 21 -21.890 -16.558 12.174 1.00 16.66 C ATOM 339 CG ASN A 21 -20.705 -17.279 12.820 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.795 -17.703 12.136 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.706 -17.430 14.115 1.00 16.66 N ATOM 0 H ASN A 21 -20.655 -17.775 10.250 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.328 -15.337 10.467 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.280 -15.805 12.859 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.696 -17.268 11.989 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.932 -17.912 14.573 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.480 -17.066 14.670 1.00 16.66 H new ATOM 348 N GLY A 22 -19.117 -15.331 10.801 1.00 16.66 N ATOM 349 CA GLY A 22 -17.954 -14.420 10.995 1.00 16.66 C ATOM 350 C GLY A 22 -17.507 -14.452 12.456 1.00 16.66 C ATOM 351 O GLY A 22 -17.159 -13.440 13.030 1.00 16.66 O ATOM 0 H GLY A 22 -18.889 -16.257 10.440 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.131 -14.723 10.347 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.226 -13.403 10.711 1.00 16.66 H new ATOM 355 N ASP A 23 -17.498 -15.607 13.061 1.00 16.66 N ATOM 356 CA ASP A 23 -17.054 -15.690 14.480 1.00 16.66 C ATOM 357 C ASP A 23 -15.563 -16.039 14.523 1.00 16.66 C ATOM 358 O ASP A 23 -14.986 -16.217 15.577 1.00 16.66 O ATOM 359 CB ASP A 23 -17.869 -16.748 15.235 1.00 16.66 C ATOM 360 CG ASP A 23 -17.663 -18.130 14.610 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.234 -18.190 13.472 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.949 -19.105 15.283 1.00 16.66 O ATOM 0 H ASP A 23 -17.777 -16.492 12.637 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.215 -14.727 14.964 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.569 -16.768 16.283 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.927 -16.486 15.212 1.00 16.66 H new ATOM 367 N GLY A 24 -14.930 -16.118 13.380 1.00 16.66 N ATOM 368 CA GLY A 24 -13.473 -16.433 13.351 1.00 16.66 C ATOM 369 C GLY A 24 -13.252 -17.926 13.098 1.00 16.66 C ATOM 370 O GLY A 24 -12.140 -18.365 12.883 1.00 16.66 O ATOM 0 H GLY A 24 -15.361 -15.978 12.466 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.984 -15.850 12.571 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.014 -16.147 14.297 1.00 16.66 H new ATOM 374 N LYS A 25 -14.289 -18.716 13.135 1.00 16.66 N ATOM 375 CA LYS A 25 -14.109 -20.179 12.908 1.00 16.66 C ATOM 376 C LYS A 25 -15.118 -20.679 11.871 1.00 16.66 C ATOM 377 O LYS A 25 -16.260 -20.249 11.832 1.00 16.66 O ATOM 378 CB LYS A 25 -14.316 -20.929 14.228 1.00 50.00 C ATOM 379 CG LYS A 25 -15.793 -20.887 14.614 1.00 50.00 C ATOM 380 CD LYS A 25 -16.036 -21.835 15.789 1.00 50.00 C ATOM 381 CE LYS A 25 -17.537 -22.092 15.935 1.00 50.00 C ATOM 382 NZ LYS A 25 -17.927 -21.960 17.367 1.00 50.00 N ATOM 0 H LYS A 25 -15.248 -18.415 13.311 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.100 -20.361 12.537 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -13.985 -21.963 14.126 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.711 -20.477 15.014 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.081 -19.871 14.886 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.411 -21.177 13.764 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.509 -22.775 15.626 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.639 -21.402 16.707 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -18.099 -21.383 15.327 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.783 -23.089 15.571 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -18.947 -22.135 17.466 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.400 -22.653 17.936 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.706 -21.000 17.700 1.00 50.00 H new ATOM 396 N ILE A 26 -14.698 -21.592 11.037 1.00 16.66 N ATOM 397 CA ILE A 26 -15.608 -22.145 9.996 1.00 16.66 C ATOM 398 C ILE A 26 -15.896 -23.617 10.302 1.00 16.66 C ATOM 399 O ILE A 26 -15.005 -24.385 10.602 1.00 16.66 O ATOM 400 CB ILE A 26 -14.937 -22.031 8.627 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.311 -20.642 8.481 1.00 16.66 C ATOM 402 CG2 ILE A 26 -15.980 -22.240 7.527 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.811 -20.454 7.048 1.00 16.66 C ATOM 0 H ILE A 26 -13.755 -21.981 11.033 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.543 -21.585 9.992 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.161 -22.791 8.538 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.045 -19.874 8.725 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.485 -20.528 9.183 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.501 -22.159 6.551 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.425 -23.229 7.631 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.758 -21.481 7.614 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.365 -19.465 6.945 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.063 -21.214 6.821 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.647 -20.549 6.355 1.00 16.66 H new ATOM 415 N SER A 27 -17.135 -24.012 10.225 1.00 16.66 N ATOM 416 CA SER A 27 -17.489 -25.430 10.505 1.00 16.66 C ATOM 417 C SER A 27 -17.851 -26.117 9.190 1.00 16.66 C ATOM 418 O SER A 27 -18.017 -25.475 8.172 1.00 16.66 O ATOM 419 CB SER A 27 -18.689 -25.479 11.452 1.00 50.00 C ATOM 420 OG SER A 27 -19.880 -25.232 10.721 1.00 50.00 O ATOM 0 H SER A 27 -17.921 -23.411 9.979 1.00 16.66 H new ATOM 0 HA SER A 27 -16.644 -25.938 10.969 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.743 -26.454 11.937 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.573 -24.736 12.241 1.00 50.00 H new ATOM 0 HG SER A 27 -20.649 -25.265 11.328 1.00 50.00 H new ATOM 426 N ALA A 28 -17.977 -27.413 9.195 1.00 16.66 N ATOM 427 CA ALA A 28 -18.329 -28.119 7.935 1.00 16.66 C ATOM 428 C ALA A 28 -19.551 -27.445 7.314 1.00 16.66 C ATOM 429 O ALA A 28 -19.584 -27.161 6.134 1.00 16.66 O ATOM 430 CB ALA A 28 -18.646 -29.585 8.236 1.00 50.00 C ATOM 0 H ALA A 28 -17.852 -28.011 10.012 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.490 -28.073 7.241 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.904 -30.099 7.310 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.774 -30.061 8.685 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.486 -29.641 8.928 1.00 50.00 H new ATOM 436 N ALA A 29 -20.554 -27.191 8.102 1.00 16.66 N ATOM 437 CA ALA A 29 -21.778 -26.537 7.562 1.00 16.66 C ATOM 438 C ALA A 29 -21.406 -25.206 6.910 1.00 16.66 C ATOM 439 O ALA A 29 -21.974 -24.816 5.910 1.00 16.66 O ATOM 440 CB ALA A 29 -22.768 -26.288 8.702 1.00 50.00 C ATOM 0 H ALA A 29 -20.581 -27.408 9.098 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.236 -27.188 6.817 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.664 -25.809 8.308 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.037 -27.238 9.164 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.309 -25.639 9.448 1.00 50.00 H new ATOM 446 N GLU A 30 -20.460 -24.502 7.465 1.00 16.66 N ATOM 447 CA GLU A 30 -20.064 -23.199 6.867 1.00 16.66 C ATOM 448 C GLU A 30 -19.169 -23.446 5.656 1.00 16.66 C ATOM 449 O GLU A 30 -19.428 -22.960 4.573 1.00 16.66 O ATOM 450 CB GLU A 30 -19.318 -22.361 7.909 1.00 16.66 C ATOM 451 CG GLU A 30 -20.260 -22.042 9.073 1.00 16.66 C ATOM 452 CD GLU A 30 -19.550 -21.130 10.077 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.526 -21.528 10.587 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.042 -20.050 10.321 1.00 16.66 O ATOM 0 H GLU A 30 -19.946 -24.772 8.304 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.955 -22.658 6.548 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.445 -22.904 8.271 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.955 -21.438 7.457 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.162 -21.556 8.701 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.573 -22.964 9.563 1.00 16.66 H new ATOM 461 N LEU A 31 -18.119 -24.196 5.824 1.00 16.66 N ATOM 462 CA LEU A 31 -17.217 -24.469 4.671 1.00 16.66 C ATOM 463 C LEU A 31 -17.993 -25.239 3.605 1.00 16.66 C ATOM 464 O LEU A 31 -17.862 -24.989 2.424 1.00 16.66 O ATOM 465 CB LEU A 31 -16.023 -25.303 5.137 1.00 16.66 C ATOM 466 CG LEU A 31 -15.148 -25.659 3.933 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.685 -24.374 3.242 1.00 16.66 C ATOM 468 CD2 LEU A 31 -13.928 -26.452 4.403 1.00 16.66 C ATOM 0 H LEU A 31 -17.846 -24.631 6.705 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.855 -23.528 4.257 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.441 -24.746 5.871 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.370 -26.212 5.629 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.724 -26.263 3.232 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -14.062 -24.626 2.384 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -15.554 -23.809 2.905 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -14.109 -23.771 3.944 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.306 -26.705 3.545 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.351 -25.850 5.105 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.257 -27.367 4.895 1.00 16.66 H new ATOM 480 N GLY A 32 -18.807 -26.171 4.016 1.00 16.66 N ATOM 481 CA GLY A 32 -19.599 -26.954 3.030 1.00 16.66 C ATOM 482 C GLY A 32 -20.563 -26.018 2.305 1.00 16.66 C ATOM 483 O GLY A 32 -20.707 -26.070 1.098 1.00 16.66 O ATOM 0 H GLY A 32 -18.957 -26.424 4.993 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.935 -27.438 2.314 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.152 -27.745 3.536 1.00 16.66 H new ATOM 487 N GLU A 33 -21.231 -25.165 3.028 1.00 16.66 N ATOM 488 CA GLU A 33 -22.192 -24.231 2.382 1.00 16.66 C ATOM 489 C GLU A 33 -21.464 -23.378 1.348 1.00 16.66 C ATOM 490 O GLU A 33 -21.949 -23.167 0.254 1.00 16.66 O ATOM 491 CB GLU A 33 -22.816 -23.328 3.445 1.00 50.00 C ATOM 492 CG GLU A 33 -24.068 -23.999 4.016 1.00 50.00 C ATOM 493 CD GLU A 33 -24.818 -23.005 4.906 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.390 -21.864 4.977 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.804 -23.402 5.502 1.00 50.00 O ATOM 0 H GLU A 33 -21.153 -25.074 4.041 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.976 -24.804 1.886 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.098 -23.137 4.242 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.074 -22.362 3.011 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.714 -24.337 3.206 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.790 -24.882 4.592 1.00 50.00 H new ATOM 502 N ALA A 34 -20.299 -22.894 1.671 1.00 16.66 N ATOM 503 CA ALA A 34 -19.549 -22.070 0.687 1.00 16.66 C ATOM 504 C ALA A 34 -18.978 -22.996 -0.380 1.00 16.66 C ATOM 505 O ALA A 34 -18.987 -22.692 -1.557 1.00 16.66 O ATOM 506 CB ALA A 34 -18.408 -21.335 1.394 1.00 50.00 C ATOM 0 H ALA A 34 -19.836 -23.033 2.569 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.212 -21.335 0.230 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.860 -20.732 0.670 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.817 -20.688 2.170 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.733 -22.061 1.847 1.00 50.00 H new ATOM 512 N LEU A 35 -18.485 -24.131 0.027 1.00 99.99 N ATOM 513 CA LEU A 35 -17.914 -25.092 -0.953 1.00 99.99 C ATOM 514 C LEU A 35 -18.998 -25.513 -1.944 1.00 99.99 C ATOM 515 O LEU A 35 -18.726 -25.768 -3.101 1.00 99.99 O ATOM 516 CB LEU A 35 -17.388 -26.323 -0.213 1.00 99.99 C ATOM 517 CG LEU A 35 -15.898 -26.142 0.082 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.351 -27.407 0.746 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.148 -25.887 -1.227 1.00 99.99 C ATOM 0 H LEU A 35 -18.453 -24.435 1.000 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.095 -24.618 -1.493 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -17.939 -26.465 0.717 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.544 -27.217 -0.816 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.760 -25.293 0.752 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.289 -27.278 0.956 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -15.886 -27.589 1.678 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.488 -28.257 0.077 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.086 -25.758 -1.019 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.286 -26.736 -1.897 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.537 -24.985 -1.700 1.00 99.99 H new ATOM 531 N LYS A 36 -20.226 -25.592 -1.507 1.00 99.99 N ATOM 532 CA LYS A 36 -21.317 -26.000 -2.436 1.00 99.99 C ATOM 533 C LYS A 36 -21.195 -25.212 -3.742 1.00 99.99 C ATOM 534 O LYS A 36 -21.653 -25.641 -4.782 1.00 99.99 O ATOM 535 CB LYS A 36 -22.673 -25.711 -1.789 1.00 99.99 C ATOM 536 CG LYS A 36 -23.349 -27.032 -1.413 1.00 99.99 C ATOM 537 CD LYS A 36 -24.647 -26.742 -0.656 1.00 99.99 C ATOM 538 CE LYS A 36 -24.803 -27.742 0.491 1.00 99.99 C ATOM 539 NZ LYS A 36 -25.359 -27.045 1.686 1.00 99.99 N ATOM 0 H LYS A 36 -20.519 -25.392 -0.551 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.236 -27.066 -2.646 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.540 -25.092 -0.902 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.305 -25.150 -2.478 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -23.561 -27.613 -2.311 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -22.681 -27.632 -0.795 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.633 -25.724 -0.266 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.499 -26.813 -1.333 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -25.464 -28.555 0.191 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -23.838 -28.188 0.733 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.465 -27.725 2.466 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -24.713 -26.284 1.976 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.288 -26.640 1.451 1.00 99.99 H new ATOM 553 N THR A 37 -20.580 -24.062 -3.696 1.00 99.99 N ATOM 554 CA THR A 37 -20.430 -23.248 -4.934 1.00 99.99 C ATOM 555 C THR A 37 -19.812 -24.112 -6.031 1.00 99.99 C ATOM 556 O THR A 37 -19.955 -23.839 -7.206 1.00 99.99 O ATOM 557 CB THR A 37 -19.516 -22.054 -4.649 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.580 -21.140 -5.736 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.077 -22.540 -4.472 1.00 99.99 C ATOM 0 H THR A 37 -20.175 -23.651 -2.855 1.00 99.99 H new ATOM 0 HA THR A 37 -21.406 -22.888 -5.258 1.00 99.99 H new ATOM 0 HB THR A 37 -19.843 -21.556 -3.736 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.748 -20.237 -5.395 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.428 -21.688 -4.269 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.029 -23.240 -3.637 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.747 -23.039 -5.383 1.00 99.99 H new ATOM 567 N LEU A 38 -19.126 -25.156 -5.655 1.00 16.66 N ATOM 568 CA LEU A 38 -18.501 -26.042 -6.676 1.00 16.66 C ATOM 569 C LEU A 38 -19.595 -26.638 -7.563 1.00 16.66 C ATOM 570 O LEU A 38 -19.390 -26.896 -8.733 1.00 16.66 O ATOM 571 CB LEU A 38 -17.736 -27.168 -5.979 1.00 50.00 C ATOM 572 CG LEU A 38 -16.542 -26.580 -5.225 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.674 -27.717 -4.678 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.712 -25.718 -6.178 1.00 50.00 C ATOM 0 H LEU A 38 -18.972 -25.433 -4.686 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.809 -25.463 -7.288 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.393 -27.695 -5.287 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.393 -27.898 -6.712 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.900 -25.966 -4.398 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.823 -27.299 -4.141 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.265 -28.332 -3.999 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.315 -28.331 -5.504 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.861 -25.299 -5.641 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.353 -26.331 -7.005 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.330 -24.909 -6.568 1.00 50.00 H new ATOM 586 N GLY A 39 -20.758 -26.857 -7.015 1.00 16.66 N ATOM 587 CA GLY A 39 -21.869 -27.434 -7.823 1.00 16.66 C ATOM 588 C GLY A 39 -21.582 -28.907 -8.118 1.00 16.66 C ATOM 589 O GLY A 39 -22.325 -29.563 -8.821 1.00 16.66 O ATOM 0 H GLY A 39 -20.987 -26.661 -6.041 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.811 -27.338 -7.284 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -21.978 -26.881 -8.756 1.00 16.66 H new ATOM 593 N SER A 40 -20.511 -29.434 -7.591 1.00 16.66 N ATOM 594 CA SER A 40 -20.185 -30.864 -7.849 1.00 16.66 C ATOM 595 C SER A 40 -19.306 -31.405 -6.719 1.00 16.66 C ATOM 596 O SER A 40 -18.164 -31.762 -6.926 1.00 16.66 O ATOM 597 CB SER A 40 -19.435 -30.979 -9.176 1.00 16.66 C ATOM 598 OG SER A 40 -20.323 -31.441 -10.183 1.00 16.66 O ATOM 0 H SER A 40 -19.849 -28.937 -6.994 1.00 16.66 H new ATOM 0 HA SER A 40 -21.107 -31.443 -7.896 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.021 -30.011 -9.457 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.595 -31.667 -9.073 1.00 16.66 H new ATOM 0 HG SER A 40 -21.201 -31.024 -10.061 1.00 16.66 H new ATOM 604 N ILE A 41 -19.831 -31.473 -5.526 1.00 16.66 N ATOM 605 CA ILE A 41 -19.021 -31.997 -4.390 1.00 16.66 C ATOM 606 C ILE A 41 -19.946 -32.676 -3.376 1.00 16.66 C ATOM 607 O ILE A 41 -21.154 -32.579 -3.459 1.00 16.66 O ATOM 608 CB ILE A 41 -18.273 -30.840 -3.716 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.136 -31.399 -2.858 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.233 -30.042 -2.828 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.144 -30.281 -2.533 1.00 16.66 C ATOM 0 H ILE A 41 -20.782 -31.190 -5.289 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.298 -32.723 -4.762 1.00 16.66 H new ATOM 0 HB ILE A 41 -17.866 -30.183 -4.485 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.536 -31.824 -1.937 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.630 -32.206 -3.387 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.693 -29.222 -2.353 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.042 -29.639 -3.437 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.648 -30.696 -2.061 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.334 -30.679 -1.922 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.735 -29.877 -3.459 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.655 -29.489 -1.986 1.00 16.66 H new ATOM 623 N THR A 42 -19.385 -33.360 -2.417 1.00 16.66 N ATOM 624 CA THR A 42 -20.227 -34.040 -1.396 1.00 16.66 C ATOM 625 C THR A 42 -19.898 -33.459 -0.025 1.00 16.66 C ATOM 626 O THR A 42 -18.870 -32.840 0.163 1.00 16.66 O ATOM 627 CB THR A 42 -19.937 -35.553 -1.384 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.211 -35.891 -0.209 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.114 -35.947 -2.613 1.00 16.66 C ATOM 0 H THR A 42 -18.379 -33.477 -2.297 1.00 16.66 H new ATOM 0 HA THR A 42 -21.279 -33.884 -1.635 1.00 16.66 H new ATOM 0 HB THR A 42 -20.885 -36.090 -1.401 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.029 -36.854 -0.203 1.00 16.66 H new ATOM 0 HG21 THR A 42 -18.917 -37.019 -2.591 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.669 -35.699 -3.518 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.169 -35.404 -2.607 1.00 16.66 H new ATOM 637 N PRO A 43 -20.778 -33.682 0.955 1.00 16.66 N ATOM 638 CA PRO A 43 -20.561 -33.197 2.315 1.00 16.66 C ATOM 639 C PRO A 43 -19.403 -33.950 2.964 1.00 16.66 C ATOM 640 O PRO A 43 -18.672 -33.419 3.776 1.00 16.66 O ATOM 641 CB PRO A 43 -21.876 -33.516 3.026 1.00 50.00 C ATOM 642 CG PRO A 43 -22.456 -34.650 2.247 1.00 50.00 C ATOM 643 CD PRO A 43 -22.043 -34.424 0.819 1.00 50.00 C ATOM 0 HA PRO A 43 -20.305 -32.138 2.357 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.707 -33.794 4.066 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.544 -32.655 3.031 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.084 -35.607 2.614 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.542 -34.673 2.340 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.904 -35.364 0.285 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.790 -33.852 0.268 1.00 50.00 H new ATOM 651 N ASP A 44 -19.239 -35.195 2.607 1.00 16.66 N ATOM 652 CA ASP A 44 -18.137 -36.006 3.193 1.00 16.66 C ATOM 653 C ASP A 44 -16.786 -35.462 2.728 1.00 16.66 C ATOM 654 O ASP A 44 -15.778 -35.656 3.378 1.00 16.66 O ATOM 655 CB ASP A 44 -18.281 -37.461 2.742 1.00 50.00 C ATOM 656 CG ASP A 44 -18.012 -38.391 3.926 1.00 50.00 C ATOM 657 OD1 ASP A 44 -18.865 -38.475 4.794 1.00 50.00 O ATOM 658 OD2 ASP A 44 -16.958 -39.005 3.944 1.00 50.00 O ATOM 0 H ASP A 44 -19.824 -35.686 1.931 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.191 -35.951 4.280 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -19.283 -37.634 2.350 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.582 -37.673 1.933 1.00 50.00 H new ATOM 663 N GLU A 45 -16.746 -34.775 1.617 1.00 16.66 N ATOM 664 CA GLU A 45 -15.449 -34.224 1.141 1.00 16.66 C ATOM 665 C GLU A 45 -15.169 -32.935 1.902 1.00 16.66 C ATOM 666 O GLU A 45 -14.051 -32.652 2.286 1.00 16.66 O ATOM 667 CB GLU A 45 -15.530 -33.931 -0.359 1.00 16.66 C ATOM 668 CG GLU A 45 -15.727 -35.241 -1.125 1.00 16.66 C ATOM 669 CD GLU A 45 -15.513 -34.994 -2.620 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.195 -33.872 -2.976 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.671 -35.933 -3.383 1.00 16.66 O ATOM 0 H GLU A 45 -17.551 -34.574 1.024 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.649 -34.944 1.314 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.356 -33.250 -0.563 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.619 -33.435 -0.693 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -15.026 -35.994 -0.766 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.730 -35.630 -0.950 1.00 16.66 H new ATOM 678 N VAL A 46 -16.187 -32.158 2.134 1.00 16.66 N ATOM 679 CA VAL A 46 -15.995 -30.890 2.887 1.00 16.66 C ATOM 680 C VAL A 46 -15.589 -31.231 4.318 1.00 16.66 C ATOM 681 O VAL A 46 -14.776 -30.561 4.925 1.00 16.66 O ATOM 682 CB VAL A 46 -17.302 -30.097 2.897 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.180 -28.920 3.868 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.582 -29.571 1.489 1.00 50.00 C ATOM 0 H VAL A 46 -17.144 -32.346 1.835 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.219 -30.288 2.414 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.120 -30.744 3.216 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.112 -28.355 3.874 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.976 -29.295 4.871 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.364 -28.270 3.551 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.513 -29.005 1.491 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.764 -28.923 1.173 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.669 -30.409 0.798 1.00 50.00 H new ATOM 694 N LYS A 47 -16.139 -32.285 4.854 1.00 16.66 N ATOM 695 CA LYS A 47 -15.779 -32.692 6.240 1.00 16.66 C ATOM 696 C LYS A 47 -14.341 -33.203 6.236 1.00 16.66 C ATOM 697 O LYS A 47 -13.572 -32.939 7.140 1.00 16.66 O ATOM 698 CB LYS A 47 -16.722 -33.802 6.711 1.00 16.66 C ATOM 699 CG LYS A 47 -18.115 -33.220 6.957 1.00 16.66 C ATOM 700 CD LYS A 47 -19.030 -34.307 7.526 1.00 16.66 C ATOM 701 CE LYS A 47 -20.469 -33.791 7.572 1.00 50.00 C ATOM 702 NZ LYS A 47 -20.567 -32.678 8.557 1.00 50.00 N ATOM 0 H LYS A 47 -16.823 -32.883 4.391 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.870 -31.842 6.916 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.774 -34.592 5.962 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.339 -34.255 7.626 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -18.053 -32.382 7.651 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.528 -32.833 6.026 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.974 -35.204 6.909 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.701 -34.587 8.527 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.774 -33.445 6.585 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -21.147 -34.598 7.850 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -21.565 -32.520 8.804 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.033 -32.925 9.415 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.172 -31.811 8.141 1.00 50.00 H new ATOM 716 N HIS A 48 -13.972 -33.928 5.217 1.00 16.66 N ATOM 717 CA HIS A 48 -12.581 -34.452 5.137 1.00 16.66 C ATOM 718 C HIS A 48 -11.617 -33.278 4.969 1.00 16.66 C ATOM 719 O HIS A 48 -10.563 -33.235 5.574 1.00 16.66 O ATOM 720 CB HIS A 48 -12.456 -35.392 3.937 1.00 16.66 C ATOM 721 CG HIS A 48 -11.036 -35.877 3.826 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.381 -35.974 2.609 1.00 16.66 N ATOM 723 CD2 HIS A 48 -10.134 -36.292 4.772 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.140 -36.433 2.852 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.937 -36.644 4.155 1.00 50.00 N ATOM 0 H HIS A 48 -14.576 -34.181 4.435 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.340 -35.000 6.048 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -13.133 -36.239 4.053 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.747 -34.874 3.023 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -10.324 -36.339 5.834 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.398 -36.609 2.087 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -8.087 -36.989 4.602 1.00 50.00 H new ATOM 733 N MET A 49 -11.972 -32.319 4.158 1.00 16.66 N ATOM 734 CA MET A 49 -11.080 -31.147 3.962 1.00 16.66 C ATOM 735 C MET A 49 -10.860 -30.471 5.312 1.00 16.66 C ATOM 736 O MET A 49 -9.755 -30.120 5.674 1.00 16.66 O ATOM 737 CB MET A 49 -11.741 -30.165 2.995 1.00 16.66 C ATOM 738 CG MET A 49 -11.437 -30.584 1.555 1.00 16.66 C ATOM 739 SD MET A 49 -11.540 -29.138 0.472 1.00 16.66 S ATOM 740 CE MET A 49 -12.418 -29.937 -0.893 1.00 16.66 C ATOM 0 H MET A 49 -12.841 -32.299 3.624 1.00 16.66 H new ATOM 0 HA MET A 49 -10.123 -31.466 3.549 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.818 -30.146 3.160 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.372 -29.155 3.177 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.442 -31.026 1.496 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.145 -31.347 1.230 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.590 -29.212 -1.689 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.819 -30.763 -1.277 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.375 -30.318 -0.536 1.00 16.66 H new ATOM 750 N MET A 50 -11.910 -30.295 6.062 1.00 16.66 N ATOM 751 CA MET A 50 -11.775 -29.651 7.395 1.00 16.66 C ATOM 752 C MET A 50 -10.841 -30.492 8.263 1.00 16.66 C ATOM 753 O MET A 50 -9.950 -29.984 8.908 1.00 16.66 O ATOM 754 CB MET A 50 -13.150 -29.566 8.057 1.00 16.66 C ATOM 755 CG MET A 50 -13.823 -28.250 7.665 1.00 16.66 C ATOM 756 SD MET A 50 -15.229 -27.944 8.759 1.00 16.66 S ATOM 757 CE MET A 50 -14.287 -27.306 10.167 1.00 50.00 C ATOM 0 H MET A 50 -12.859 -30.571 5.808 1.00 16.66 H new ATOM 0 HA MET A 50 -11.365 -28.647 7.282 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.767 -30.409 7.747 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.048 -29.626 9.141 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.109 -27.429 7.734 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.158 -28.295 6.629 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.973 -26.901 10.910 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.706 -28.114 10.612 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.614 -26.519 9.828 1.00 50.00 H new ATOM 767 N ALA A 51 -11.039 -31.779 8.275 1.00 16.66 N ATOM 768 CA ALA A 51 -10.161 -32.663 9.092 1.00 16.66 C ATOM 769 C ALA A 51 -8.708 -32.474 8.657 1.00 16.66 C ATOM 770 O ALA A 51 -7.785 -32.725 9.406 1.00 16.66 O ATOM 771 CB ALA A 51 -10.570 -34.123 8.884 1.00 50.00 C ATOM 0 H ALA A 51 -11.772 -32.259 7.753 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.263 -32.405 10.146 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.928 -34.770 9.482 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.607 -34.258 9.191 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.467 -34.383 7.831 1.00 50.00 H new ATOM 777 N GLU A 52 -8.499 -32.023 7.451 1.00 16.66 N ATOM 778 CA GLU A 52 -7.106 -31.808 6.965 1.00 16.66 C ATOM 779 C GLU A 52 -6.706 -30.360 7.242 1.00 16.66 C ATOM 780 O GLU A 52 -5.573 -30.065 7.567 1.00 16.66 O ATOM 781 CB GLU A 52 -7.041 -32.080 5.460 1.00 16.66 C ATOM 782 CG GLU A 52 -6.852 -33.579 5.221 1.00 16.66 C ATOM 783 CD GLU A 52 -6.457 -33.819 3.762 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.373 -32.850 3.025 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.247 -34.966 3.407 1.00 16.66 O ATOM 0 H GLU A 52 -9.233 -31.794 6.780 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.424 -32.485 7.480 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.956 -31.736 4.978 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.217 -31.523 5.014 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.082 -33.970 5.886 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.773 -34.114 5.452 1.00 16.66 H new ATOM 792 N ILE A 53 -7.637 -29.457 7.120 1.00 16.66 N ATOM 793 CA ILE A 53 -7.336 -28.025 7.379 1.00 16.66 C ATOM 794 C ILE A 53 -7.352 -27.765 8.886 1.00 16.66 C ATOM 795 O ILE A 53 -6.666 -26.898 9.388 1.00 16.66 O ATOM 796 CB ILE A 53 -8.407 -27.172 6.709 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.370 -27.407 5.201 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.140 -25.702 7.015 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.514 -26.640 4.536 1.00 50.00 C ATOM 0 H ILE A 53 -8.601 -29.652 6.850 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.353 -27.774 6.980 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.392 -27.445 7.088 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.413 -27.079 4.795 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.459 -28.472 4.986 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.903 -25.087 6.538 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.168 -25.544 8.093 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.158 -25.423 6.633 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.487 -26.808 3.459 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.466 -26.990 4.934 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.405 -25.575 4.740 1.00 50.00 H new ATOM 811 N ASP A 54 -8.134 -28.516 9.608 1.00 16.66 N ATOM 812 CA ASP A 54 -8.212 -28.334 11.081 1.00 16.66 C ATOM 813 C ASP A 54 -6.847 -28.652 11.701 1.00 16.66 C ATOM 814 O ASP A 54 -6.476 -29.799 11.856 1.00 16.66 O ATOM 815 CB ASP A 54 -9.274 -29.294 11.624 1.00 16.66 C ATOM 816 CG ASP A 54 -9.858 -28.748 12.926 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.536 -27.627 13.271 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.626 -29.460 13.551 1.00 16.66 O ATOM 0 H ASP A 54 -8.729 -29.256 9.235 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.480 -27.307 11.330 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.067 -29.426 10.888 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.833 -30.276 11.797 1.00 16.66 H new ATOM 823 N THR A 55 -6.090 -27.643 12.038 1.00 16.66 N ATOM 824 CA THR A 55 -4.738 -27.879 12.626 1.00 16.66 C ATOM 825 C THR A 55 -4.850 -28.364 14.073 1.00 16.66 C ATOM 826 O THR A 55 -4.197 -29.309 14.470 1.00 16.66 O ATOM 827 CB THR A 55 -3.939 -26.575 12.597 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.642 -25.576 13.322 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.747 -26.121 11.150 1.00 50.00 C ATOM 0 H THR A 55 -6.350 -26.662 11.931 1.00 16.66 H new ATOM 0 HA THR A 55 -4.234 -28.645 12.037 1.00 16.66 H new ATOM 0 HB THR A 55 -2.963 -26.737 13.054 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.578 -25.846 13.427 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.177 -25.192 11.133 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.206 -26.889 10.597 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.721 -25.958 10.687 1.00 50.00 H new ATOM 837 N ASP A 56 -5.659 -27.725 14.868 1.00 16.66 N ATOM 838 CA ASP A 56 -5.788 -28.158 16.292 1.00 16.66 C ATOM 839 C ASP A 56 -6.835 -29.271 16.399 1.00 16.66 C ATOM 840 O ASP A 56 -6.733 -30.153 17.228 1.00 16.66 O ATOM 841 CB ASP A 56 -6.190 -26.966 17.164 1.00 16.66 C ATOM 842 CG ASP A 56 -7.664 -26.631 16.944 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.094 -26.666 15.806 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.333 -26.340 17.920 1.00 16.66 O ATOM 0 H ASP A 56 -6.234 -26.927 14.600 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.829 -28.540 16.642 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.014 -27.198 18.214 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.572 -26.102 16.920 1.00 16.66 H new ATOM 849 N GLY A 57 -7.827 -29.252 15.552 1.00 16.66 N ATOM 850 CA GLY A 57 -8.860 -30.329 15.595 1.00 16.66 C ATOM 851 C GLY A 57 -10.066 -29.902 16.438 1.00 16.66 C ATOM 852 O GLY A 57 -10.756 -30.732 16.998 1.00 16.66 O ATOM 0 H GLY A 57 -7.968 -28.541 14.834 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.186 -30.566 14.582 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.425 -31.238 16.011 1.00 16.66 H new ATOM 856 N ASP A 58 -10.341 -28.631 16.536 1.00 16.66 N ATOM 857 CA ASP A 58 -11.519 -28.199 17.344 1.00 16.66 C ATOM 858 C ASP A 58 -12.789 -28.327 16.497 1.00 16.66 C ATOM 859 O ASP A 58 -13.885 -28.101 16.970 1.00 16.66 O ATOM 860 CB ASP A 58 -11.346 -26.749 17.802 1.00 50.00 C ATOM 861 CG ASP A 58 -11.504 -25.809 16.607 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.951 -26.112 15.566 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.177 -24.802 16.754 1.00 50.00 O ATOM 0 H ASP A 58 -9.809 -27.879 16.098 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.600 -28.836 18.225 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.085 -26.508 18.566 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.364 -26.615 18.255 1.00 50.00 H new ATOM 868 N GLY A 59 -12.651 -28.700 15.252 1.00 16.66 N ATOM 869 CA GLY A 59 -13.852 -28.856 14.382 1.00 16.66 C ATOM 870 C GLY A 59 -14.038 -27.613 13.508 1.00 16.66 C ATOM 871 O GLY A 59 -14.903 -27.573 12.655 1.00 16.66 O ATOM 0 H GLY A 59 -11.759 -28.903 14.801 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.741 -29.739 13.752 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.738 -29.012 14.998 1.00 16.66 H new ATOM 875 N PHE A 60 -13.246 -26.595 13.709 1.00 16.66 N ATOM 876 CA PHE A 60 -13.408 -25.366 12.881 1.00 16.66 C ATOM 877 C PHE A 60 -12.056 -24.871 12.362 1.00 16.66 C ATOM 878 O PHE A 60 -11.006 -25.107 12.949 1.00 16.66 O ATOM 879 CB PHE A 60 -14.039 -24.257 13.722 1.00 50.00 C ATOM 880 CG PHE A 60 -15.250 -24.788 14.444 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.468 -24.906 13.769 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.157 -25.155 15.791 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.594 -25.393 14.438 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.282 -25.642 16.461 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.502 -25.762 15.786 1.00 50.00 C ATOM 0 H PHE A 60 -12.500 -26.560 14.404 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.048 -25.614 12.034 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.314 -23.876 14.441 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.323 -23.421 13.083 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.539 -24.621 12.730 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.216 -25.062 16.313 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.535 -25.485 13.916 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.210 -25.926 17.500 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.372 -26.139 16.304 1.00 50.00 H new ATOM 895 N ILE A 61 -12.082 -24.158 11.269 1.00 16.66 N ATOM 896 CA ILE A 61 -10.829 -23.610 10.703 1.00 16.66 C ATOM 897 C ILE A 61 -10.786 -22.109 10.998 1.00 16.66 C ATOM 898 O ILE A 61 -11.714 -21.385 10.700 1.00 16.66 O ATOM 899 CB ILE A 61 -10.808 -23.837 9.191 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.126 -25.304 8.888 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.422 -23.489 8.646 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.129 -26.209 9.617 1.00 16.66 C ATOM 0 H ILE A 61 -12.927 -23.933 10.744 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.966 -24.106 11.147 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.556 -23.202 8.716 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.143 -25.538 9.203 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.076 -25.483 7.814 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.404 -23.650 7.568 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.198 -22.444 8.861 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.674 -24.125 9.120 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.358 -27.252 9.399 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.118 -25.982 9.280 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.201 -26.038 10.691 1.00 16.66 H new ATOM 914 N SER A 62 -9.721 -21.636 11.578 1.00 16.66 N ATOM 915 CA SER A 62 -9.627 -20.185 11.885 1.00 16.66 C ATOM 916 C SER A 62 -8.900 -19.484 10.742 1.00 16.66 C ATOM 917 O SER A 62 -8.308 -20.117 9.892 1.00 16.66 O ATOM 918 CB SER A 62 -8.848 -19.987 13.187 1.00 16.66 C ATOM 919 OG SER A 62 -8.072 -21.145 13.454 1.00 16.66 O ATOM 0 H SER A 62 -8.911 -22.192 11.853 1.00 16.66 H new ATOM 0 HA SER A 62 -10.626 -19.765 11.999 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.201 -19.113 13.107 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.537 -19.800 14.011 1.00 16.66 H new ATOM 0 HG SER A 62 -7.571 -21.018 14.287 1.00 16.66 H new ATOM 925 N PHE A 63 -8.935 -18.184 10.708 1.00 16.66 N ATOM 926 CA PHE A 63 -8.239 -17.467 9.612 1.00 16.66 C ATOM 927 C PHE A 63 -6.784 -17.920 9.580 1.00 16.66 C ATOM 928 O PHE A 63 -6.218 -18.169 8.535 1.00 16.66 O ATOM 929 CB PHE A 63 -8.296 -15.960 9.850 1.00 16.66 C ATOM 930 CG PHE A 63 -7.587 -15.270 8.716 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.986 -15.517 7.399 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.529 -14.393 8.977 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.328 -14.887 6.340 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.870 -13.762 7.916 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.270 -14.008 6.597 1.00 16.66 C ATOM 0 H PHE A 63 -9.412 -17.591 11.387 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.726 -17.691 8.663 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.332 -15.625 9.909 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.825 -15.709 10.800 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.803 -16.195 7.200 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.222 -14.203 9.995 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.636 -15.078 5.323 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.052 -13.085 8.115 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.762 -13.520 5.778 1.00 16.66 H new ATOM 945 N GLN A 64 -6.180 -18.036 10.727 1.00 16.66 N ATOM 946 CA GLN A 64 -4.764 -18.481 10.784 1.00 16.66 C ATOM 947 C GLN A 64 -4.654 -19.880 10.177 1.00 16.66 C ATOM 948 O GLN A 64 -3.820 -20.138 9.331 1.00 16.66 O ATOM 949 CB GLN A 64 -4.317 -18.518 12.244 1.00 16.66 C ATOM 950 CG GLN A 64 -2.811 -18.778 12.313 1.00 16.66 C ATOM 951 CD GLN A 64 -2.057 -17.541 11.825 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.023 -16.530 12.498 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.445 -17.577 10.672 1.00 50.00 N ATOM 0 H GLN A 64 -6.609 -17.841 11.632 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.131 -17.793 10.224 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.556 -17.573 12.732 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.856 -19.299 12.780 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.519 -19.015 13.336 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.552 -19.641 11.699 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.473 -18.425 10.106 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.939 -16.757 10.337 1.00 50.00 H new ATOM 962 N GLU A 65 -5.496 -20.785 10.598 1.00 16.66 N ATOM 963 CA GLU A 65 -5.451 -22.166 10.044 1.00 16.66 C ATOM 964 C GLU A 65 -5.663 -22.103 8.532 1.00 16.66 C ATOM 965 O GLU A 65 -4.950 -22.719 7.766 1.00 16.66 O ATOM 966 CB GLU A 65 -6.567 -23.001 10.675 1.00 16.66 C ATOM 967 CG GLU A 65 -6.069 -23.639 11.975 1.00 16.66 C ATOM 968 CD GLU A 65 -7.220 -24.399 12.645 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.354 -24.093 12.352 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.949 -25.272 13.437 1.00 16.66 O ATOM 0 H GLU A 65 -6.215 -20.625 11.304 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.485 -22.621 10.264 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.434 -22.372 10.877 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.891 -23.776 9.980 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.243 -24.319 11.766 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.687 -22.870 12.647 1.00 16.66 H new ATOM 977 N PHE A 66 -6.643 -21.361 8.102 1.00 16.66 N ATOM 978 CA PHE A 66 -6.910 -21.248 6.643 1.00 16.66 C ATOM 979 C PHE A 66 -5.714 -20.587 5.961 1.00 16.66 C ATOM 980 O PHE A 66 -5.345 -20.932 4.855 1.00 16.66 O ATOM 981 CB PHE A 66 -8.161 -20.396 6.422 1.00 16.66 C ATOM 982 CG PHE A 66 -8.511 -20.385 4.954 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.880 -19.479 4.092 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.465 -21.278 4.454 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.203 -19.467 2.731 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.789 -21.266 3.091 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.159 -20.360 2.230 1.00 16.66 C ATOM 0 H PHE A 66 -7.273 -20.826 8.700 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.067 -22.240 6.220 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.993 -20.796 7.002 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.987 -19.379 6.773 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.144 -18.790 4.478 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.952 -21.976 5.119 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.715 -18.769 2.066 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.525 -21.956 2.705 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.410 -20.349 1.180 1.00 16.66 H new ATOM 997 N THR A 67 -5.100 -19.642 6.616 1.00 16.66 N ATOM 998 CA THR A 67 -3.923 -18.961 6.013 1.00 16.66 C ATOM 999 C THR A 67 -2.774 -19.962 5.884 1.00 16.66 C ATOM 1000 O THR A 67 -2.156 -20.085 4.845 1.00 16.66 O ATOM 1001 CB THR A 67 -3.492 -17.799 6.909 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.522 -16.821 6.941 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.209 -17.174 6.359 1.00 50.00 C ATOM 0 H THR A 67 -5.364 -19.312 7.544 1.00 16.66 H new ATOM 0 HA THR A 67 -4.186 -18.578 5.027 1.00 16.66 H new ATOM 0 HB THR A 67 -3.308 -18.168 7.918 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.322 -17.202 7.359 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.904 -16.346 6.999 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.419 -17.925 6.336 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.388 -16.805 5.349 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.483 -20.682 6.934 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.377 -21.677 6.872 1.00 25.00 C ATOM 1013 C ASP A 68 -1.707 -22.734 5.819 1.00 25.00 C ATOM 1014 O ASP A 68 -0.845 -23.206 5.104 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.215 -22.348 8.238 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.914 -21.285 9.296 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.353 -20.263 8.937 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.250 -21.511 10.447 1.00 50.00 O ATOM 0 H ASP A 68 -2.964 -20.623 7.831 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.448 -21.174 6.605 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.124 -22.889 8.499 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.408 -23.080 8.202 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.953 -23.107 5.716 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.348 -24.126 4.711 1.00 25.00 C ATOM 1025 C PHE A 69 -3.291 -23.486 3.320 1.00 25.00 C ATOM 1026 O PHE A 69 -2.855 -24.096 2.361 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.769 -24.617 5.051 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.561 -24.882 3.795 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.052 -23.806 3.053 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.795 -26.194 3.376 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.784 -24.041 1.884 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.526 -26.431 2.209 1.00 50.00 C ATOM 1033 CZ PHE A 69 -7.021 -25.355 1.460 1.00 50.00 C ATOM 0 H PHE A 69 -3.716 -22.746 6.289 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.674 -24.982 4.722 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.711 -25.527 5.648 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.281 -23.870 5.658 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.867 -22.794 3.381 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.412 -27.023 3.953 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.166 -23.210 1.309 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.710 -27.444 1.884 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.584 -25.539 0.557 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.722 -22.262 3.205 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.687 -21.579 1.882 1.00 16.66 C ATOM 1045 C GLY A 70 -2.255 -21.599 1.345 1.00 16.66 C ATOM 1046 O GLY A 70 -2.026 -21.612 0.152 1.00 16.66 O ATOM 0 H GLY A 70 -4.098 -21.704 3.971 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.357 -22.079 1.183 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.037 -20.551 1.980 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.287 -21.610 2.222 1.00 25.00 N ATOM 1051 CA ARG A 71 0.131 -21.639 1.766 1.00 25.00 C ATOM 1052 C ARG A 71 0.438 -23.016 1.178 1.00 25.00 C ATOM 1053 O ARG A 71 1.361 -23.183 0.404 1.00 25.00 O ATOM 1054 CB ARG A 71 1.056 -21.376 2.957 1.00 50.00 C ATOM 1055 CG ARG A 71 0.787 -19.977 3.514 1.00 50.00 C ATOM 1056 CD ARG A 71 1.850 -19.631 4.560 1.00 50.00 C ATOM 1057 NE ARG A 71 1.859 -20.676 5.623 1.00 50.00 N ATOM 1058 CZ ARG A 71 1.996 -20.332 6.874 1.00 50.00 C ATOM 1059 NH1 ARG A 71 1.295 -19.346 7.361 1.00 50.00 N ATOM 1060 NH2 ARG A 71 2.836 -20.975 7.640 1.00 50.00 N ATOM 0 H ARG A 71 -1.418 -21.600 3.234 1.00 25.00 H new ATOM 0 HA ARG A 71 0.290 -20.871 1.009 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.891 -22.125 3.731 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.098 -21.462 2.648 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.803 -19.244 2.708 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.206 -19.937 3.962 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.831 -19.567 4.090 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.642 -18.654 4.997 1.00 50.00 H new ATOM 0 HE ARG A 71 1.758 -21.660 5.372 1.00 50.00 H new ATOM 0 HH11 ARG A 71 0.639 -18.843 6.764 1.00 50.00 H new ATOM 0 HH12 ARG A 71 1.403 -19.078 8.339 1.00 50.00 H new ATOM 0 HH21 ARG A 71 3.385 -21.746 7.260 1.00 50.00 H new ATOM 0 HH22 ARG A 71 2.943 -20.706 8.618 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.334 -24.003 1.539 1.00 25.00 N ATOM 1075 CA ALA A 72 -0.096 -25.373 1.004 1.00 25.00 C ATOM 1076 C ALA A 72 -0.701 -25.482 -0.397 1.00 25.00 C ATOM 1077 O ALA A 72 -0.286 -26.292 -1.202 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.756 -26.399 1.928 1.00 50.00 C ATOM 0 H ALA A 72 -1.121 -23.920 2.183 1.00 25.00 H new ATOM 0 HA ALA A 72 0.976 -25.566 0.953 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.584 -27.403 1.539 1.00 50.00 H new ATOM 0 HB2 ALA A 72 -0.327 -26.318 2.927 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.828 -26.208 1.977 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.678 -24.670 -0.694 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.311 -24.723 -2.042 1.00 25.00 C ATOM 1086 C ASN A 73 -2.717 -23.312 -2.468 1.00 25.00 C ATOM 1087 O ASN A 73 -3.868 -23.044 -2.747 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.552 -25.616 -1.988 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.290 -26.798 -1.053 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.525 -27.685 -1.376 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.897 -26.847 0.100 1.00 50.00 N ATOM 0 H ASN A 73 -2.066 -23.971 -0.060 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.601 -25.131 -2.762 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.410 -25.043 -1.636 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.798 -25.976 -2.987 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.730 -27.630 0.732 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.539 -26.102 0.370 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.779 -22.406 -2.519 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.115 -21.013 -2.926 1.00 25.00 C ATOM 1100 C ARG A 74 -2.891 -21.059 -4.237 1.00 25.00 C ATOM 1101 O ARG A 74 -3.828 -20.314 -4.447 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.827 -20.209 -3.117 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.061 -20.152 -1.794 1.00 25.00 C ATOM 1104 CD ARG A 74 1.208 -19.317 -1.975 1.00 25.00 C ATOM 1105 NE ARG A 74 0.845 -17.873 -2.041 1.00 25.00 N ATOM 1106 CZ ARG A 74 1.769 -16.979 -2.266 1.00 50.00 C ATOM 1107 NH1 ARG A 74 2.798 -16.889 -1.469 1.00 50.00 N ATOM 1108 NH2 ARG A 74 1.663 -16.175 -3.289 1.00 50.00 N ATOM 0 H ARG A 74 -0.797 -22.570 -2.297 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.720 -20.536 -2.155 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.209 -20.669 -3.888 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -1.062 -19.201 -3.457 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.688 -19.716 -1.017 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.197 -21.159 -1.467 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.894 -19.493 -1.146 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.726 -19.615 -2.887 1.00 25.00 H new ATOM 0 HE ARG A 74 -0.124 -17.584 -1.910 1.00 25.00 H new ATOM 0 HH11 ARG A 74 2.881 -17.517 -0.670 1.00 50.00 H new ATOM 0 HH12 ARG A 74 3.520 -16.190 -1.645 1.00 50.00 H new ATOM 0 HH21 ARG A 74 0.858 -16.246 -3.912 1.00 50.00 H new ATOM 0 HH22 ARG A 74 2.385 -15.476 -3.465 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.509 -21.938 -5.117 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.219 -22.050 -6.418 1.00 25.00 C ATOM 1124 C GLY A 75 -4.687 -22.400 -6.165 1.00 25.00 C ATOM 1125 O GLY A 75 -5.557 -22.077 -6.949 1.00 25.00 O ATOM 0 H GLY A 75 -1.732 -22.587 -4.991 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.147 -21.111 -6.967 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.752 -22.817 -7.036 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.967 -23.059 -5.074 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.378 -23.429 -4.768 1.00 25.00 C ATOM 1131 C LEU A 76 -7.172 -22.169 -4.423 1.00 25.00 C ATOM 1132 O LEU A 76 -8.282 -21.975 -4.878 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.409 -24.388 -3.576 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.961 -25.780 -4.024 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.989 -26.735 -2.828 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.908 -26.296 -5.109 1.00 50.00 C ATOM 0 H LEU A 76 -4.280 -23.357 -4.382 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.821 -23.914 -5.638 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.755 -24.022 -2.785 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.416 -24.435 -3.161 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.948 -25.724 -4.422 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.670 -27.727 -3.147 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.315 -26.368 -2.054 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -7.002 -26.790 -2.430 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.589 -27.288 -5.429 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.921 -26.351 -4.711 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.889 -25.617 -5.961 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.611 -21.316 -3.615 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.323 -20.071 -3.223 1.00 25.00 C ATOM 1150 C LEU A 77 -7.559 -19.195 -4.452 1.00 25.00 C ATOM 1151 O LEU A 77 -8.607 -18.600 -4.608 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.476 -19.311 -2.202 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.585 -20.014 -0.850 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -6.036 -21.436 -0.966 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -5.786 -19.240 0.200 1.00 50.00 C ATOM 0 H LEU A 77 -5.683 -21.429 -3.207 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.287 -20.327 -2.784 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.436 -19.276 -2.526 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.819 -18.280 -2.120 1.00 25.00 H new ATOM 0 HG LEU A 77 -7.632 -20.053 -0.549 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -6.114 -21.936 -0.001 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -6.611 -21.989 -1.709 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -4.990 -21.399 -1.271 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -5.866 -19.744 1.163 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -4.739 -19.195 -0.100 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -6.183 -18.228 0.286 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.601 -19.110 -5.328 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.779 -18.271 -6.546 1.00 25.00 C ATOM 1169 C LYS A 78 -7.878 -18.876 -7.422 1.00 25.00 C ATOM 1170 O LYS A 78 -8.452 -18.213 -8.263 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.467 -18.224 -7.332 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.380 -17.575 -6.472 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.226 -17.121 -7.368 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.540 -18.346 -7.978 1.00 50.00 C ATOM 1175 NZ LYS A 78 -2.181 -18.062 -9.395 1.00 50.00 N ATOM 0 H LYS A 78 -5.701 -19.585 -5.255 1.00 25.00 H new ATOM 0 HA LYS A 78 -7.061 -17.260 -6.253 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.166 -19.232 -7.618 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.603 -17.658 -8.254 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.790 -16.723 -5.929 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.019 -18.284 -5.727 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.600 -16.469 -8.158 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.508 -16.540 -6.788 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -1.645 -18.596 -7.408 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.202 -19.210 -7.926 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.715 -18.895 -9.809 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -3.043 -17.844 -9.934 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.534 -17.249 -9.433 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.175 -20.134 -7.233 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.236 -20.780 -8.055 1.00 25.00 C ATOM 1191 C ASP A 79 -10.569 -20.717 -7.310 1.00 25.00 C ATOM 1192 O ASP A 79 -11.560 -20.244 -7.829 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.864 -22.242 -8.311 1.00 25.00 C ATOM 1194 CG ASP A 79 -8.131 -22.355 -9.650 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -8.064 -21.359 -10.351 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -7.652 -23.435 -9.950 1.00 50.00 O ATOM 0 H ASP A 79 -7.729 -20.741 -6.545 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.327 -20.256 -9.006 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.231 -22.614 -7.505 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.762 -22.860 -8.322 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.599 -21.189 -6.098 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.864 -21.161 -5.313 1.00 25.00 C ATOM 1203 C VAL A 80 -12.254 -19.713 -5.029 1.00 25.00 C ATOM 1204 O VAL A 80 -13.397 -19.322 -5.167 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.653 -21.903 -3.990 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.888 -21.014 -3.004 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -13.010 -22.278 -3.392 1.00 50.00 C ATOM 0 H VAL A 80 -9.799 -21.595 -5.614 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.659 -21.645 -5.881 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.073 -22.807 -4.178 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.743 -21.551 -2.067 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.918 -20.753 -3.426 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.458 -20.104 -2.817 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.859 -22.806 -2.450 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.591 -21.373 -3.212 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.548 -22.922 -4.087 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.307 -18.919 -4.632 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.605 -17.490 -4.331 1.00 25.00 C ATOM 1219 C ALA A 81 -12.300 -16.843 -5.532 1.00 25.00 C ATOM 1220 O ALA A 81 -13.175 -16.015 -5.381 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.302 -16.745 -4.038 1.00 50.00 C ATOM 0 H ALA A 81 -10.334 -19.195 -4.501 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.260 -17.436 -3.461 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.522 -15.700 -3.818 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.808 -17.200 -3.180 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.647 -16.803 -4.907 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.914 -17.210 -6.723 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.548 -16.609 -7.931 1.00 25.00 C ATOM 1229 C LYS A 82 -14.010 -17.048 -8.017 1.00 25.00 C ATOM 1230 O LYS A 82 -14.837 -16.377 -8.601 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.804 -17.077 -9.184 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.553 -16.220 -9.385 1.00 25.00 C ATOM 1233 CD LYS A 82 -10.172 -16.217 -10.867 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.690 -15.863 -11.011 1.00 50.00 C ATOM 1235 NZ LYS A 82 -8.068 -16.739 -12.044 1.00 50.00 N ATOM 0 H LYS A 82 -11.187 -17.900 -6.912 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.499 -15.522 -7.861 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.527 -18.126 -9.084 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.454 -17.000 -10.056 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.738 -15.201 -9.044 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.730 -16.612 -8.787 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -10.368 -17.195 -11.306 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.784 -15.496 -11.409 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.581 -14.816 -11.293 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.180 -15.990 -10.056 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -7.061 -16.499 -12.142 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.160 -17.734 -11.756 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.548 -16.596 -12.955 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.335 -18.172 -7.441 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.743 -18.652 -7.494 1.00 25.00 C ATOM 1251 C ILE A 83 -16.658 -17.616 -6.845 1.00 25.00 C ATOM 1252 O ILE A 83 -17.725 -17.315 -7.339 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.855 -19.976 -6.738 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.830 -20.969 -7.295 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.267 -20.539 -6.911 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -15.160 -22.381 -6.805 1.00 50.00 C ATOM 0 H ILE A 83 -13.687 -18.778 -6.937 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.040 -18.799 -8.532 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.658 -19.812 -5.679 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.837 -20.941 -8.385 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.826 -20.688 -6.975 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.351 -21.483 -6.373 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.993 -19.830 -6.514 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.465 -20.706 -7.970 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.429 -23.084 -7.203 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -15.130 -22.404 -5.716 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.156 -22.661 -7.147 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.242 -17.069 -5.740 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.081 -16.049 -5.050 1.00 25.00 C ATOM 1270 C PHE A 84 -16.791 -14.667 -5.639 1.00 25.00 C ATOM 1271 O PHE A 84 -15.625 -14.337 -5.779 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.753 -16.045 -3.555 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.104 -17.388 -2.962 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.203 -18.455 -3.063 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.330 -17.566 -2.311 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.528 -19.700 -2.513 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.656 -18.812 -1.761 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.755 -19.878 -1.862 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.740 -13.961 -5.940 1.00 99.99 O ATOM 0 H PHE A 84 -15.356 -17.283 -5.283 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.135 -16.290 -5.190 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.694 -15.834 -3.404 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.311 -15.255 -3.051 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.257 -18.317 -3.565 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -19.025 -16.743 -2.233 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.833 -20.523 -2.591 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.602 -18.950 -1.259 1.00 50.00 H new ATOM 0 HZ PHE A 84 -18.006 -20.839 -1.438 1.00 50.00 H new