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= -3.51! C(o=-3.5!,f=-7.7!) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 0.548 (180deg=0.316) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0027 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 145:sc= -1.73! USER MOD Single : A 40 SER OG : rot -75:sc= 1.11 USER MOD Single : A 42 THR OG1 : rot -130:sc= 0.179 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-1.1) USER MOD Single : A 49 MET CE :methyl 180:sc= -0.21 (180deg=-0.21) USER MOD Single : A 50 MET CE :methyl 141:sc= -8.02! (180deg=-10.7!) USER MOD Single : A 55 THR OG1 : rot -28:sc= -2.17! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.28) USER MOD Single : A 67 THR OG1 : rot 89:sc= 1.29 USER MOD Single : A 73 ASN : amide:sc= -1.85! C(o=-1.8!,f=-2.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.384 -10.596 -0.388 1.00 16.66 N ATOM 86 CA ASP A 7 -2.026 -11.932 -0.529 1.00 16.66 C ATOM 87 C ASP A 7 -2.991 -12.156 0.633 1.00 16.66 C ATOM 88 O ASP A 7 -4.080 -12.666 0.462 1.00 16.66 O ATOM 89 CB ASP A 7 -0.952 -13.021 -0.519 1.00 16.66 C ATOM 90 CG ASP A 7 -0.150 -12.957 -1.820 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.583 -12.267 -2.727 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.886 -13.599 -1.885 1.00 50.00 O ATOM 0 HA ASP A 7 -2.574 -11.974 -1.471 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.290 -12.886 0.336 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.415 -14.002 -0.412 1.00 16.66 H new ATOM 97 N LYS A 8 -2.601 -11.774 1.816 1.00 16.66 N ATOM 98 CA LYS A 8 -3.495 -11.960 2.992 1.00 16.66 C ATOM 99 C LYS A 8 -4.855 -11.333 2.693 1.00 16.66 C ATOM 100 O LYS A 8 -5.886 -11.836 3.095 1.00 16.66 O ATOM 101 CB LYS A 8 -2.877 -11.278 4.214 1.00 16.66 C ATOM 102 CG LYS A 8 -1.908 -12.243 4.898 1.00 16.66 C ATOM 103 CD LYS A 8 -1.762 -11.859 6.371 1.00 16.66 C ATOM 104 CE LYS A 8 -0.617 -12.659 6.994 1.00 50.00 C ATOM 105 NZ LYS A 8 0.394 -11.722 7.560 1.00 50.00 N ATOM 0 H LYS A 8 -1.701 -11.340 2.020 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.618 -13.024 3.195 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.352 -10.372 3.912 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.659 -10.976 4.910 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.275 -13.266 4.812 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.937 -12.211 4.405 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.565 -10.791 6.462 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.692 -12.058 6.904 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -1.000 -13.313 7.777 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.155 -13.299 6.242 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.173 -12.266 7.984 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.768 -11.115 6.802 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 -0.052 -11.130 8.290 1.00 50.00 H new ATOM 119 N ALA A 9 -4.863 -10.239 1.985 1.00 16.66 N ATOM 120 CA ALA A 9 -6.155 -9.579 1.654 1.00 16.66 C ATOM 121 C ALA A 9 -7.024 -10.560 0.875 1.00 16.66 C ATOM 122 O ALA A 9 -8.196 -10.726 1.149 1.00 16.66 O ATOM 123 CB ALA A 9 -5.892 -8.336 0.801 1.00 16.66 C ATOM 0 H ALA A 9 -4.031 -9.774 1.622 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.664 -9.281 2.571 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.839 -7.854 0.559 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.262 -7.641 1.356 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.388 -8.627 -0.120 1.00 16.66 H new ATOM 129 N GLU A 10 -6.454 -11.221 -0.091 1.00 16.66 N ATOM 130 CA GLU A 10 -7.240 -12.205 -0.887 1.00 16.66 C ATOM 131 C GLU A 10 -7.589 -13.394 0.005 1.00 16.66 C ATOM 132 O GLU A 10 -8.683 -13.920 -0.038 1.00 16.66 O ATOM 133 CB GLU A 10 -6.411 -12.683 -2.079 1.00 16.66 C ATOM 134 CG GLU A 10 -5.870 -11.473 -2.843 1.00 16.66 C ATOM 135 CD GLU A 10 -7.040 -10.623 -3.344 1.00 16.66 C ATOM 136 OE1 GLU A 10 -8.152 -11.125 -3.348 1.00 16.66 O ATOM 137 OE2 GLU A 10 -6.804 -9.484 -3.712 1.00 16.66 O ATOM 0 H GLU A 10 -5.476 -11.123 -0.365 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.153 -11.737 -1.255 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.587 -13.307 -1.735 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.023 -13.298 -2.738 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -5.226 -10.879 -2.195 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.260 -11.803 -3.684 1.00 16.66 H new ATOM 144 N ARG A 11 -6.663 -13.817 0.817 1.00 16.66 N ATOM 145 CA ARG A 11 -6.927 -14.969 1.722 1.00 16.66 C ATOM 146 C ARG A 11 -7.957 -14.561 2.775 1.00 16.66 C ATOM 147 O ARG A 11 -8.826 -15.327 3.142 1.00 16.66 O ATOM 148 CB ARG A 11 -5.625 -15.368 2.416 1.00 16.66 C ATOM 149 CG ARG A 11 -4.722 -16.098 1.420 1.00 16.66 C ATOM 150 CD ARG A 11 -3.565 -16.764 2.166 1.00 50.00 C ATOM 151 NE ARG A 11 -2.984 -15.793 3.129 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.713 -15.841 3.422 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.141 -16.989 3.662 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.012 -14.742 3.468 1.00 50.00 N ATOM 0 H ARG A 11 -5.730 -13.413 0.893 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.310 -15.810 1.145 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.119 -14.483 2.801 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.837 -16.011 3.270 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.296 -16.848 0.876 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.335 -15.395 0.682 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.918 -17.651 2.693 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -2.803 -17.095 1.460 1.00 50.00 H new ATOM 0 HE ARG A 11 -3.580 -15.087 3.562 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -1.687 -17.849 3.621 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -0.148 -17.026 3.891 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -1.457 -13.845 3.275 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -0.019 -14.780 3.697 1.00 50.00 H new ATOM 168 N GLU A 12 -7.864 -13.356 3.261 1.00 16.66 N ATOM 169 CA GLU A 12 -8.832 -12.885 4.289 1.00 16.66 C ATOM 170 C GLU A 12 -10.216 -12.751 3.657 1.00 16.66 C ATOM 171 O GLU A 12 -11.220 -13.084 4.256 1.00 16.66 O ATOM 172 CB GLU A 12 -8.382 -11.527 4.830 1.00 16.66 C ATOM 173 CG GLU A 12 -7.509 -11.734 6.070 1.00 16.66 C ATOM 174 CD GLU A 12 -7.575 -10.486 6.954 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.323 -9.585 6.616 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.875 -10.454 7.952 1.00 50.00 O ATOM 0 H GLU A 12 -7.156 -12.674 2.989 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.874 -13.604 5.107 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.824 -10.986 4.066 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.250 -10.918 5.081 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.851 -12.606 6.627 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.478 -11.929 5.774 1.00 16.66 H new ATOM 183 N ARG A 13 -10.278 -12.266 2.449 1.00 16.66 N ATOM 184 CA ARG A 13 -11.597 -12.114 1.776 1.00 16.66 C ATOM 185 C ARG A 13 -12.186 -13.495 1.505 1.00 16.66 C ATOM 186 O ARG A 13 -13.366 -13.724 1.675 1.00 16.66 O ATOM 187 CB ARG A 13 -11.414 -11.365 0.453 1.00 16.66 C ATOM 188 CG ARG A 13 -10.993 -9.923 0.738 1.00 16.66 C ATOM 189 CD ARG A 13 -10.377 -9.313 -0.523 1.00 16.66 C ATOM 190 NE ARG A 13 -10.937 -7.949 -0.737 1.00 50.00 N ATOM 191 CZ ARG A 13 -10.146 -6.963 -1.060 1.00 50.00 C ATOM 192 NH1 ARG A 13 -8.982 -6.843 -0.482 1.00 50.00 N ATOM 193 NH2 ARG A 13 -10.519 -6.096 -1.961 1.00 50.00 N ATOM 0 H ARG A 13 -9.472 -11.968 1.899 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.272 -11.549 2.419 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.660 -11.862 -0.157 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.343 -11.378 -0.116 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.856 -9.337 1.054 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.273 -9.898 1.556 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.293 -9.261 -0.423 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.588 -9.944 -1.386 1.00 16.66 H new ATOM 0 HE ARG A 13 -11.938 -7.786 -0.631 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -8.690 -7.520 0.223 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -8.364 -6.072 -0.735 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -11.429 -6.189 -2.413 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -9.901 -5.325 -2.214 1.00 50.00 H new ATOM 207 N ILE A 14 -11.367 -14.422 1.095 1.00 16.66 N ATOM 208 CA ILE A 14 -11.874 -15.794 0.824 1.00 16.66 C ATOM 209 C ILE A 14 -12.240 -16.457 2.152 1.00 16.66 C ATOM 210 O ILE A 14 -13.295 -17.046 2.294 1.00 16.66 O ATOM 211 CB ILE A 14 -10.785 -16.609 0.128 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.328 -15.875 -1.134 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.340 -17.983 -0.253 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.909 -16.315 -1.495 1.00 50.00 C ATOM 0 H ILE A 14 -10.368 -14.288 0.936 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.753 -15.746 0.181 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.938 -16.735 0.802 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -11.008 -16.090 -1.959 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.356 -14.798 -0.971 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.563 -18.564 -0.750 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.666 -18.506 0.646 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.187 -17.859 -0.928 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.584 -15.792 -2.394 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.234 -16.077 -0.673 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.896 -17.390 -1.676 1.00 50.00 H new ATOM 226 N PHE A 15 -11.379 -16.362 3.128 1.00 16.66 N ATOM 227 CA PHE A 15 -11.685 -16.982 4.444 1.00 16.66 C ATOM 228 C PHE A 15 -12.912 -16.299 5.045 1.00 16.66 C ATOM 229 O PHE A 15 -13.731 -16.923 5.690 1.00 16.66 O ATOM 230 CB PHE A 15 -10.491 -16.819 5.386 1.00 16.66 C ATOM 231 CG PHE A 15 -10.824 -17.468 6.709 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.556 -18.829 6.906 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.413 -16.717 7.733 1.00 16.66 C ATOM 234 CE1 PHE A 15 -10.875 -19.438 8.125 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.730 -17.325 8.955 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.462 -18.687 9.150 1.00 16.66 C ATOM 0 H PHE A 15 -10.480 -15.883 3.070 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.886 -18.045 4.308 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.603 -17.279 4.953 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.265 -15.762 5.530 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.103 -19.409 6.116 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.623 -15.669 7.581 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.668 -20.487 8.275 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.181 -16.744 9.746 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.708 -19.157 10.091 1.00 16.66 H new ATOM 246 N LYS A 16 -13.048 -15.019 4.833 1.00 16.66 N ATOM 247 CA LYS A 16 -14.227 -14.297 5.386 1.00 16.66 C ATOM 248 C LYS A 16 -15.496 -14.805 4.700 1.00 16.66 C ATOM 249 O LYS A 16 -16.562 -14.826 5.282 1.00 16.66 O ATOM 250 CB LYS A 16 -14.072 -12.795 5.132 1.00 50.00 C ATOM 251 CG LYS A 16 -13.198 -12.180 6.226 1.00 50.00 C ATOM 252 CD LYS A 16 -13.062 -10.676 5.986 1.00 50.00 C ATOM 253 CE LYS A 16 -12.018 -10.098 6.943 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.680 -9.159 7.894 1.00 50.00 N ATOM 0 H LYS A 16 -12.395 -14.443 4.302 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.296 -14.475 6.459 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.622 -12.625 4.154 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.050 -12.315 5.120 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.640 -12.364 7.205 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.214 -12.649 6.227 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.768 -10.487 4.953 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.023 -10.184 6.139 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.528 -10.902 7.492 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.243 -9.577 6.381 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.970 -8.766 8.545 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.128 -8.386 7.363 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.404 -9.670 8.439 1.00 50.00 H new ATOM 268 N ARG A 17 -15.387 -15.221 3.468 1.00 16.66 N ATOM 269 CA ARG A 17 -16.585 -15.734 2.747 1.00 16.66 C ATOM 270 C ARG A 17 -17.012 -17.066 3.363 1.00 16.66 C ATOM 271 O ARG A 17 -18.184 -17.355 3.494 1.00 16.66 O ATOM 272 CB ARG A 17 -16.241 -15.945 1.272 1.00 16.66 C ATOM 273 CG ARG A 17 -16.172 -14.593 0.563 1.00 16.66 C ATOM 274 CD ARG A 17 -16.235 -14.809 -0.949 1.00 50.00 C ATOM 275 NE ARG A 17 -15.973 -13.520 -1.649 1.00 50.00 N ATOM 276 CZ ARG A 17 -15.549 -13.522 -2.883 1.00 50.00 C ATOM 277 NH1 ARG A 17 -16.298 -13.027 -3.831 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.378 -14.021 -3.170 1.00 50.00 N ATOM 0 H ARG A 17 -14.520 -15.228 2.930 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.398 -15.013 2.831 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.287 -16.464 1.181 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.993 -16.577 0.800 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -16.997 -13.958 0.886 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.250 -14.077 0.830 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.499 -15.555 -1.251 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.215 -15.195 -1.231 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.125 -12.636 -1.163 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -17.214 -12.639 -3.607 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -15.967 -13.028 -4.796 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -13.794 -14.410 -2.430 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -14.047 -14.022 -4.135 1.00 50.00 H new ATOM 292 N PHE A 18 -16.066 -17.878 3.741 1.00 16.66 N ATOM 293 CA PHE A 18 -16.412 -19.192 4.350 1.00 16.66 C ATOM 294 C PHE A 18 -17.070 -18.966 5.710 1.00 16.66 C ATOM 295 O PHE A 18 -18.114 -19.514 6.005 1.00 16.66 O ATOM 296 CB PHE A 18 -15.143 -20.027 4.525 1.00 16.66 C ATOM 297 CG PHE A 18 -14.672 -20.515 3.176 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.318 -21.592 2.557 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.592 -19.889 2.543 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.882 -22.044 1.306 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.156 -20.341 1.292 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.801 -21.418 0.673 1.00 16.66 C ATOM 0 H PHE A 18 -15.067 -17.689 3.655 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.104 -19.723 3.697 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.364 -19.430 5.000 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.340 -20.874 5.182 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.153 -22.074 3.045 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.095 -19.057 3.020 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.379 -22.876 0.829 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.322 -19.859 0.804 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.465 -21.766 -0.293 1.00 16.66 H new ATOM 312 N ASP A 19 -16.473 -18.158 6.539 1.00 16.66 N ATOM 313 CA ASP A 19 -17.074 -17.893 7.875 1.00 16.66 C ATOM 314 C ASP A 19 -18.499 -17.365 7.678 1.00 16.66 C ATOM 315 O ASP A 19 -18.703 -16.227 7.305 1.00 16.66 O ATOM 316 CB ASP A 19 -16.228 -16.859 8.624 1.00 16.66 C ATOM 317 CG ASP A 19 -16.467 -17.007 10.121 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.214 -17.892 10.487 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.895 -16.238 10.876 1.00 16.66 O ATOM 0 H ASP A 19 -15.597 -17.670 6.350 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.103 -18.812 8.461 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.172 -17.002 8.396 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.491 -15.852 8.299 1.00 16.66 H new ATOM 324 N ALA A 20 -19.486 -18.194 7.900 1.00 16.66 N ATOM 325 CA ALA A 20 -20.899 -17.758 7.698 1.00 16.66 C ATOM 326 C ALA A 20 -21.309 -16.705 8.734 1.00 16.66 C ATOM 327 O ALA A 20 -21.824 -15.660 8.388 1.00 16.66 O ATOM 328 CB ALA A 20 -21.820 -18.973 7.825 1.00 50.00 C ATOM 0 H ALA A 20 -19.373 -19.158 8.214 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.985 -17.315 6.706 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.854 -18.662 7.679 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.553 -19.713 7.070 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.710 -19.411 8.817 1.00 50.00 H new ATOM 334 N ASN A 21 -21.105 -16.962 9.999 1.00 16.66 N ATOM 335 CA ASN A 21 -21.512 -15.955 11.022 1.00 16.66 C ATOM 336 C ASN A 21 -20.382 -14.947 11.237 1.00 16.66 C ATOM 337 O ASN A 21 -20.617 -13.796 11.545 1.00 16.66 O ATOM 338 CB ASN A 21 -21.866 -16.657 12.340 1.00 16.66 C ATOM 339 CG ASN A 21 -20.633 -17.325 12.953 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.721 -17.707 12.247 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.597 -17.476 14.249 1.00 16.66 N ATOM 0 H ASN A 21 -20.680 -17.814 10.365 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.394 -15.421 10.668 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.279 -15.933 13.042 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.639 -17.405 12.162 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.792 -17.922 14.688 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.374 -17.148 14.822 1.00 16.66 H new ATOM 348 N GLY A 22 -19.159 -15.360 11.061 1.00 16.66 N ATOM 349 CA GLY A 22 -18.025 -14.411 11.239 1.00 16.66 C ATOM 350 C GLY A 22 -17.496 -14.484 12.672 1.00 16.66 C ATOM 351 O GLY A 22 -17.108 -13.487 13.249 1.00 16.66 O ATOM 0 H GLY A 22 -18.895 -16.311 10.802 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.227 -14.651 10.536 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.352 -13.396 11.016 1.00 16.66 H new ATOM 355 N ASP A 23 -17.463 -15.652 13.248 1.00 16.66 N ATOM 356 CA ASP A 23 -16.939 -15.770 14.639 1.00 16.66 C ATOM 357 C ASP A 23 -15.444 -16.100 14.589 1.00 16.66 C ATOM 358 O ASP A 23 -14.812 -16.321 15.602 1.00 16.66 O ATOM 359 CB ASP A 23 -17.697 -16.861 15.406 1.00 16.66 C ATOM 360 CG ASP A 23 -17.529 -18.214 14.715 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.150 -18.227 13.558 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.793 -19.218 15.356 1.00 16.66 O ATOM 0 H ASP A 23 -17.773 -16.525 12.821 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.085 -14.823 15.159 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.326 -16.920 16.429 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.755 -16.605 15.465 1.00 16.66 H new ATOM 367 N GLY A 24 -14.870 -16.113 13.412 1.00 16.66 N ATOM 368 CA GLY A 24 -13.413 -16.405 13.293 1.00 16.66 C ATOM 369 C GLY A 24 -13.182 -17.898 13.051 1.00 16.66 C ATOM 370 O GLY A 24 -12.071 -18.328 12.811 1.00 16.66 O ATOM 0 H GLY A 24 -15.349 -15.934 12.530 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.987 -15.828 12.473 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.899 -16.094 14.202 1.00 16.66 H new ATOM 374 N LYS A 25 -14.210 -18.699 13.122 1.00 16.66 N ATOM 375 CA LYS A 25 -14.020 -20.162 12.907 1.00 16.66 C ATOM 376 C LYS A 25 -15.047 -20.677 11.895 1.00 16.66 C ATOM 377 O LYS A 25 -16.196 -20.261 11.880 1.00 16.66 O ATOM 378 CB LYS A 25 -14.189 -20.903 14.237 1.00 50.00 C ATOM 379 CG LYS A 25 -15.635 -20.788 14.712 1.00 50.00 C ATOM 380 CD LYS A 25 -15.882 -21.808 15.825 1.00 50.00 C ATOM 381 CE LYS A 25 -17.385 -22.066 15.956 1.00 50.00 C ATOM 382 NZ LYS A 25 -17.903 -21.367 17.166 1.00 50.00 N ATOM 0 H LYS A 25 -15.167 -18.407 13.318 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.017 -20.340 12.519 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -13.918 -21.952 14.116 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.516 -20.484 14.985 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -15.831 -19.780 15.076 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.318 -20.966 13.882 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.360 -22.739 15.602 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.482 -21.437 16.769 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.905 -21.711 15.066 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.576 -23.136 16.031 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -18.846 -21.736 17.403 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.257 -21.530 17.964 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.968 -20.347 16.976 1.00 50.00 H new ATOM 396 N ILE A 26 -14.634 -21.587 11.055 1.00 16.66 N ATOM 397 CA ILE A 26 -15.563 -22.151 10.037 1.00 16.66 C ATOM 398 C ILE A 26 -15.848 -23.617 10.362 1.00 16.66 C ATOM 399 O ILE A 26 -14.953 -24.388 10.638 1.00 16.66 O ATOM 400 CB ILE A 26 -14.918 -22.053 8.657 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.186 -20.718 8.533 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.000 -22.144 7.579 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.626 -20.577 7.119 1.00 16.66 C ATOM 0 H ILE A 26 -13.687 -21.966 11.031 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.498 -21.590 10.045 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.209 -22.871 8.528 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.867 -19.895 8.750 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.378 -20.664 9.263 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.539 -22.074 6.594 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.523 -23.096 7.668 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.710 -21.327 7.706 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.103 -19.625 7.028 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -12.931 -21.393 6.920 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.443 -20.612 6.399 1.00 16.66 H new ATOM 415 N SER A 27 -17.090 -24.003 10.326 1.00 16.66 N ATOM 416 CA SER A 27 -17.446 -25.414 10.628 1.00 16.66 C ATOM 417 C SER A 27 -17.786 -26.128 9.321 1.00 16.66 C ATOM 418 O SER A 27 -17.975 -25.504 8.297 1.00 16.66 O ATOM 419 CB SER A 27 -18.663 -25.445 11.553 1.00 50.00 C ATOM 420 OG SER A 27 -19.847 -25.312 10.781 1.00 50.00 O ATOM 0 H SER A 27 -17.879 -23.398 10.099 1.00 16.66 H new ATOM 0 HA SER A 27 -16.608 -25.911 11.116 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.684 -26.380 12.113 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.599 -24.638 12.283 1.00 50.00 H new ATOM 0 HG SER A 27 -20.628 -25.333 11.373 1.00 50.00 H new ATOM 426 N ALA A 28 -17.868 -27.426 9.343 1.00 16.66 N ATOM 427 CA ALA A 28 -18.200 -28.156 8.091 1.00 16.66 C ATOM 428 C ALA A 28 -19.437 -27.522 7.463 1.00 16.66 C ATOM 429 O ALA A 28 -19.489 -27.281 6.274 1.00 16.66 O ATOM 430 CB ALA A 28 -18.479 -29.626 8.409 1.00 50.00 C ATOM 0 H ALA A 28 -17.721 -28.010 10.166 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.362 -28.097 7.396 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.722 -30.158 7.489 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.596 -30.074 8.864 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.319 -29.696 9.101 1.00 50.00 H new ATOM 436 N ALA A 29 -20.435 -27.249 8.253 1.00 16.66 N ATOM 437 CA ALA A 29 -21.670 -26.628 7.701 1.00 16.66 C ATOM 438 C ALA A 29 -21.316 -25.305 7.024 1.00 16.66 C ATOM 439 O ALA A 29 -21.846 -24.969 5.983 1.00 16.66 O ATOM 440 CB ALA A 29 -22.666 -26.373 8.835 1.00 50.00 C ATOM 0 H ALA A 29 -20.450 -27.429 9.257 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.119 -27.301 6.970 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.570 -25.918 8.430 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -22.919 -27.318 9.316 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.219 -25.701 9.568 1.00 50.00 H new ATOM 446 N GLU A 30 -20.423 -24.550 7.601 1.00 16.66 N ATOM 447 CA GLU A 30 -20.040 -23.254 6.981 1.00 16.66 C ATOM 448 C GLU A 30 -19.143 -23.517 5.772 1.00 16.66 C ATOM 449 O GLU A 30 -19.417 -23.068 4.677 1.00 16.66 O ATOM 450 CB GLU A 30 -19.291 -22.394 8.004 1.00 16.66 C ATOM 451 CG GLU A 30 -20.238 -22.020 9.148 1.00 16.66 C ATOM 452 CD GLU A 30 -19.507 -21.109 10.141 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.476 -21.511 10.630 1.00 16.66 O ATOM 454 OE2 GLU A 30 -19.990 -20.027 10.397 1.00 16.66 O ATOM 0 H GLU A 30 -19.944 -24.775 8.473 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.937 -22.725 6.659 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.431 -22.939 8.393 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.907 -21.493 7.526 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.119 -21.513 8.754 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.588 -22.920 9.654 1.00 16.66 H new ATOM 461 N LEU A 31 -18.078 -24.243 5.958 1.00 16.66 N ATOM 462 CA LEU A 31 -17.170 -24.534 4.818 1.00 16.66 C ATOM 463 C LEU A 31 -17.942 -25.321 3.763 1.00 16.66 C ATOM 464 O LEU A 31 -17.853 -25.052 2.582 1.00 16.66 O ATOM 465 CB LEU A 31 -15.989 -25.365 5.325 1.00 16.66 C ATOM 466 CG LEU A 31 -14.828 -25.298 4.327 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.703 -26.227 4.793 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.305 -25.736 2.942 1.00 16.66 C ATOM 0 H LEU A 31 -17.797 -24.648 6.851 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.799 -23.607 4.381 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.664 -24.994 6.297 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.298 -26.401 5.466 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.461 -24.273 4.273 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.876 -26.181 4.084 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.356 -25.912 5.777 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -14.076 -27.250 4.850 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.474 -25.686 2.238 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.677 -26.759 2.992 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -16.105 -25.076 2.607 1.00 16.66 H new ATOM 480 N GLY A 32 -18.704 -26.291 4.181 1.00 16.66 N ATOM 481 CA GLY A 32 -19.487 -27.095 3.208 1.00 16.66 C ATOM 482 C GLY A 32 -20.503 -26.191 2.512 1.00 16.66 C ATOM 483 O GLY A 32 -20.683 -26.249 1.312 1.00 16.66 O ATOM 0 H GLY A 32 -18.818 -26.561 5.158 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.821 -27.548 2.473 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -19.998 -27.910 3.720 1.00 16.66 H new ATOM 487 N GLU A 33 -21.176 -25.361 3.259 1.00 16.66 N ATOM 488 CA GLU A 33 -22.187 -24.459 2.647 1.00 16.66 C ATOM 489 C GLU A 33 -21.520 -23.558 1.612 1.00 16.66 C ATOM 490 O GLU A 33 -22.053 -23.323 0.546 1.00 16.66 O ATOM 491 CB GLU A 33 -22.822 -23.601 3.740 1.00 50.00 C ATOM 492 CG GLU A 33 -23.964 -24.376 4.399 1.00 50.00 C ATOM 493 CD GLU A 33 -25.281 -24.040 3.698 1.00 50.00 C ATOM 494 OE1 GLU A 33 -25.269 -23.171 2.842 1.00 50.00 O ATOM 495 OE2 GLU A 33 -26.280 -24.657 4.029 1.00 50.00 O ATOM 0 H GLU A 33 -21.068 -25.269 4.269 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.955 -25.056 2.156 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.074 -23.331 4.485 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.198 -22.671 3.314 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -23.772 -25.447 4.340 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -24.028 -24.121 5.457 1.00 50.00 H new ATOM 502 N ALA A 34 -20.357 -23.053 1.909 1.00 16.66 N ATOM 503 CA ALA A 34 -19.665 -22.176 0.927 1.00 16.66 C ATOM 504 C ALA A 34 -19.161 -23.036 -0.228 1.00 16.66 C ATOM 505 O ALA A 34 -19.222 -22.654 -1.381 1.00 16.66 O ATOM 506 CB ALA A 34 -18.481 -21.480 1.604 1.00 50.00 C ATOM 0 H ALA A 34 -19.858 -23.208 2.785 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.356 -21.420 0.553 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.975 -20.838 0.883 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.842 -20.876 2.437 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.782 -22.230 1.975 1.00 50.00 H new ATOM 512 N LEU A 35 -18.661 -24.199 0.078 1.00 99.99 N ATOM 513 CA LEU A 35 -18.147 -25.100 -0.989 1.00 99.99 C ATOM 514 C LEU A 35 -19.273 -25.444 -1.966 1.00 99.99 C ATOM 515 O LEU A 35 -19.041 -25.669 -3.137 1.00 99.99 O ATOM 516 CB LEU A 35 -17.619 -26.386 -0.353 1.00 99.99 C ATOM 517 CG LEU A 35 -16.108 -26.269 -0.143 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.566 -27.591 0.404 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.429 -25.951 -1.478 1.00 99.99 C ATOM 0 H LEU A 35 -18.586 -24.566 1.027 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.344 -24.598 -1.528 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.117 -26.564 0.600 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.843 -27.239 -0.993 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.901 -25.469 0.568 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.490 -27.509 0.554 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.049 -27.816 1.355 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.773 -28.391 -0.307 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.353 -25.868 -1.328 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.635 -26.750 -2.190 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.815 -25.009 -1.867 1.00 99.99 H new ATOM 531 N LYS A 36 -20.491 -25.494 -1.498 1.00 99.99 N ATOM 532 CA LYS A 36 -21.623 -25.833 -2.407 1.00 99.99 C ATOM 533 C LYS A 36 -21.481 -25.066 -3.722 1.00 99.99 C ATOM 534 O LYS A 36 -21.973 -25.485 -4.751 1.00 99.99 O ATOM 535 CB LYS A 36 -22.944 -25.450 -1.739 1.00 99.99 C ATOM 536 CG LYS A 36 -23.793 -26.706 -1.534 1.00 99.99 C ATOM 537 CD LYS A 36 -25.003 -26.365 -0.662 1.00 99.99 C ATOM 538 CE LYS A 36 -25.170 -27.438 0.416 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.454 -28.163 0.198 1.00 99.99 N ATOM 0 H LYS A 36 -20.751 -25.315 -0.528 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.610 -26.904 -2.611 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.753 -24.967 -0.781 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.482 -24.731 -2.357 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.123 -27.096 -2.497 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.198 -27.487 -1.060 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.868 -25.387 -0.200 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.902 -26.307 -1.275 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.334 -28.137 0.381 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.162 -26.980 1.405 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -26.569 -28.893 0.930 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -27.246 -27.491 0.252 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.444 -28.612 -0.740 1.00 99.99 H new ATOM 553 N THR A 37 -20.816 -23.945 -3.700 1.00 99.99 N ATOM 554 CA THR A 37 -20.650 -23.154 -4.949 1.00 99.99 C ATOM 555 C THR A 37 -20.129 -24.068 -6.058 1.00 99.99 C ATOM 556 O THR A 37 -20.298 -23.800 -7.232 1.00 99.99 O ATOM 557 CB THR A 37 -19.656 -22.016 -4.701 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.748 -21.071 -5.756 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.233 -22.576 -4.636 1.00 99.99 C ATOM 0 H THR A 37 -20.380 -23.543 -2.870 1.00 99.99 H new ATOM 0 HA THR A 37 -21.609 -22.732 -5.250 1.00 99.99 H new ATOM 0 HB THR A 37 -19.893 -21.530 -3.755 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.604 -20.169 -5.401 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.530 -21.762 -4.459 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.163 -23.299 -3.823 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.991 -23.066 -5.579 1.00 99.99 H new ATOM 567 N LEU A 38 -19.496 -25.149 -5.694 1.00 16.66 N ATOM 568 CA LEU A 38 -18.965 -26.085 -6.724 1.00 16.66 C ATOM 569 C LEU A 38 -20.124 -26.617 -7.570 1.00 16.66 C ATOM 570 O LEU A 38 -19.982 -26.866 -8.750 1.00 16.66 O ATOM 571 CB LEU A 38 -18.254 -27.252 -6.039 1.00 50.00 C ATOM 572 CG LEU A 38 -16.964 -26.752 -5.387 1.00 50.00 C ATOM 573 CD1 LEU A 38 -16.134 -27.946 -4.913 1.00 50.00 C ATOM 574 CD2 LEU A 38 -16.159 -25.943 -6.406 1.00 50.00 C ATOM 0 H LEU A 38 -19.324 -25.425 -4.727 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.257 -25.558 -7.364 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.905 -27.697 -5.287 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -18.028 -28.031 -6.767 1.00 50.00 H new ATOM 0 HG LEU A 38 -17.210 -26.120 -4.533 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.215 -27.589 -4.449 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.707 -28.522 -4.187 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.887 -28.579 -5.765 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -15.239 -25.586 -5.942 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.914 -26.575 -7.260 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.750 -25.091 -6.743 1.00 50.00 H new ATOM 586 N GLY A 39 -21.270 -26.791 -6.971 1.00 16.66 N ATOM 587 CA GLY A 39 -22.442 -27.304 -7.736 1.00 16.66 C ATOM 588 C GLY A 39 -22.282 -28.806 -7.983 1.00 16.66 C ATOM 589 O GLY A 39 -23.130 -29.438 -8.582 1.00 16.66 O ATOM 0 H GLY A 39 -21.446 -26.600 -5.985 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.361 -27.113 -7.182 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.527 -26.777 -8.686 1.00 16.66 H new ATOM 593 N SER A 40 -21.203 -29.385 -7.531 1.00 16.66 N ATOM 594 CA SER A 40 -20.997 -30.844 -7.746 1.00 16.66 C ATOM 595 C SER A 40 -20.063 -31.396 -6.668 1.00 16.66 C ATOM 596 O SER A 40 -18.958 -31.817 -6.949 1.00 16.66 O ATOM 597 CB SER A 40 -20.372 -31.067 -9.123 1.00 16.66 C ATOM 598 OG SER A 40 -19.669 -32.300 -9.130 1.00 16.66 O ATOM 0 H SER A 40 -20.457 -28.911 -7.023 1.00 16.66 H new ATOM 0 HA SER A 40 -21.956 -31.359 -7.690 1.00 16.66 H new ATOM 0 HB2 SER A 40 -21.147 -31.074 -9.889 1.00 16.66 H new ATOM 0 HB3 SER A 40 -19.694 -30.248 -9.363 1.00 16.66 H new ATOM 0 HG SER A 40 -18.829 -32.200 -8.635 1.00 16.66 H new ATOM 604 N ILE A 41 -20.495 -31.403 -5.436 1.00 16.66 N ATOM 605 CA ILE A 41 -19.626 -31.932 -4.348 1.00 16.66 C ATOM 606 C ILE A 41 -20.497 -32.543 -3.246 1.00 16.66 C ATOM 607 O ILE A 41 -21.701 -32.376 -3.227 1.00 16.66 O ATOM 608 CB ILE A 41 -18.776 -30.791 -3.770 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.573 -31.376 -3.030 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.613 -29.953 -2.799 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.560 -30.264 -2.749 1.00 16.66 C ATOM 0 H ILE A 41 -21.410 -31.066 -5.137 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.967 -32.702 -4.750 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.432 -30.155 -4.586 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.895 -31.835 -2.095 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -17.111 -32.162 -3.628 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -19.002 -29.146 -2.394 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.468 -29.531 -3.327 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.966 -30.585 -1.984 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.701 -30.679 -2.221 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.230 -29.826 -3.691 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -17.026 -29.494 -2.134 1.00 16.66 H new ATOM 623 N THR A 42 -19.897 -33.247 -2.326 1.00 16.66 N ATOM 624 CA THR A 42 -20.685 -33.867 -1.222 1.00 16.66 C ATOM 625 C THR A 42 -20.223 -33.277 0.105 1.00 16.66 C ATOM 626 O THR A 42 -19.161 -32.692 0.198 1.00 16.66 O ATOM 627 CB THR A 42 -20.465 -35.392 -1.194 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.774 -35.757 -0.005 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.641 -35.836 -2.407 1.00 16.66 C ATOM 0 H THR A 42 -18.892 -33.420 -2.291 1.00 16.66 H new ATOM 0 HA THR A 42 -21.744 -33.664 -1.384 1.00 16.66 H new ATOM 0 HB THR A 42 -21.438 -35.882 -1.223 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.011 -36.329 -0.232 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.495 -36.916 -2.372 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.170 -35.571 -3.323 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.672 -35.338 -2.390 1.00 16.66 H new ATOM 637 N PRO A 43 -21.024 -33.458 1.160 1.00 16.66 N ATOM 638 CA PRO A 43 -20.677 -32.966 2.491 1.00 16.66 C ATOM 639 C PRO A 43 -19.525 -33.786 3.065 1.00 16.66 C ATOM 640 O PRO A 43 -18.720 -33.303 3.837 1.00 16.66 O ATOM 641 CB PRO A 43 -21.950 -33.192 3.304 1.00 50.00 C ATOM 642 CG PRO A 43 -22.651 -34.306 2.599 1.00 50.00 C ATOM 643 CD PRO A 43 -22.322 -34.152 1.139 1.00 50.00 C ATOM 0 HA PRO A 43 -20.355 -31.925 2.494 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.720 -33.458 4.336 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.565 -32.293 3.336 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.318 -35.274 2.973 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.727 -34.254 2.763 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.255 -35.117 0.637 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -23.081 -33.572 0.614 1.00 50.00 H new ATOM 651 N ASP A 44 -19.450 -35.036 2.693 1.00 16.66 N ATOM 652 CA ASP A 44 -18.363 -35.912 3.209 1.00 16.66 C ATOM 653 C ASP A 44 -17.010 -35.439 2.676 1.00 16.66 C ATOM 654 O ASP A 44 -15.980 -35.701 3.264 1.00 16.66 O ATOM 655 CB ASP A 44 -18.609 -37.351 2.752 1.00 50.00 C ATOM 656 CG ASP A 44 -19.909 -37.868 3.371 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.435 -37.197 4.244 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.358 -38.926 2.961 1.00 50.00 O ATOM 0 H ASP A 44 -20.100 -35.489 2.050 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.356 -35.865 4.298 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.670 -37.393 1.665 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.774 -37.986 3.049 1.00 50.00 H new ATOM 663 N GLU A 45 -16.993 -34.741 1.571 1.00 16.66 N ATOM 664 CA GLU A 45 -15.696 -34.260 1.027 1.00 16.66 C ATOM 665 C GLU A 45 -15.280 -33.015 1.799 1.00 16.66 C ATOM 666 O GLU A 45 -14.116 -32.784 2.054 1.00 16.66 O ATOM 667 CB GLU A 45 -15.854 -33.918 -0.456 1.00 16.66 C ATOM 668 CG GLU A 45 -16.097 -35.201 -1.253 1.00 16.66 C ATOM 669 CD GLU A 45 -15.947 -34.909 -2.747 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.741 -33.756 -3.088 1.00 16.66 O ATOM 671 OE2 GLU A 45 -16.041 -35.844 -3.526 1.00 16.66 O ATOM 0 H GLU A 45 -17.817 -34.486 1.027 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.937 -35.035 1.131 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.687 -33.228 -0.594 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.959 -33.414 -0.821 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -15.388 -35.971 -0.949 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -17.095 -35.587 -1.045 1.00 16.66 H new ATOM 678 N VAL A 46 -16.234 -32.217 2.184 1.00 16.66 N ATOM 679 CA VAL A 46 -15.910 -30.987 2.954 1.00 16.66 C ATOM 680 C VAL A 46 -15.421 -31.388 4.345 1.00 16.66 C ATOM 681 O VAL A 46 -14.545 -30.767 4.914 1.00 16.66 O ATOM 682 CB VAL A 46 -17.161 -30.119 3.081 1.00 50.00 C ATOM 683 CG1 VAL A 46 -16.898 -28.989 4.078 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.508 -29.525 1.715 1.00 50.00 C ATOM 0 H VAL A 46 -17.226 -32.364 1.998 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.133 -30.422 2.439 1.00 16.66 H new ATOM 0 HB VAL A 46 -17.993 -30.728 3.435 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -17.790 -28.369 4.169 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.650 -29.413 5.051 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.067 -28.379 3.725 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.400 -28.905 1.804 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.677 -28.915 1.362 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.695 -30.330 1.005 1.00 50.00 H new ATOM 694 N LYS A 47 -15.982 -32.428 4.893 1.00 16.66 N ATOM 695 CA LYS A 47 -15.555 -32.884 6.245 1.00 16.66 C ATOM 696 C LYS A 47 -14.084 -33.294 6.190 1.00 16.66 C ATOM 697 O LYS A 47 -13.316 -33.019 7.091 1.00 16.66 O ATOM 698 CB LYS A 47 -16.402 -34.082 6.678 1.00 16.66 C ATOM 699 CG LYS A 47 -17.856 -33.641 6.865 1.00 16.66 C ATOM 700 CD LYS A 47 -18.675 -34.806 7.423 1.00 16.66 C ATOM 701 CE LYS A 47 -20.162 -34.450 7.381 1.00 50.00 C ATOM 702 NZ LYS A 47 -20.923 -35.378 8.265 1.00 50.00 N ATOM 0 H LYS A 47 -16.720 -32.984 4.462 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.688 -32.074 6.963 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.344 -34.871 5.928 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.015 -34.497 7.608 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -17.905 -32.790 7.545 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.273 -33.313 5.913 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.489 -35.708 6.839 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.370 -35.021 8.447 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.309 -33.420 7.706 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.534 -34.518 6.359 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -21.934 -35.135 8.235 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.792 -36.356 7.936 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.575 -35.292 9.241 1.00 50.00 H new ATOM 716 N HIS A 48 -13.688 -33.949 5.136 1.00 16.66 N ATOM 717 CA HIS A 48 -12.267 -34.376 5.012 1.00 16.66 C ATOM 718 C HIS A 48 -11.375 -33.139 4.908 1.00 16.66 C ATOM 719 O HIS A 48 -10.301 -33.087 5.473 1.00 16.66 O ATOM 720 CB HIS A 48 -12.101 -35.235 3.758 1.00 16.66 C ATOM 721 CG HIS A 48 -10.655 -35.619 3.601 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.029 -35.647 2.364 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.701 -35.994 4.513 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.754 -36.027 2.565 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.500 -36.251 3.857 1.00 50.00 N ATOM 0 H HIS A 48 -14.288 -34.208 4.353 1.00 16.66 H new ATOM 0 HA HIS A 48 -11.981 -34.958 5.888 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.720 -36.129 3.832 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.440 -34.685 2.880 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.858 -36.077 5.578 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.024 -36.138 1.777 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.617 -36.547 4.273 1.00 50.00 H new ATOM 733 N MET A 49 -11.813 -32.138 4.192 1.00 16.66 N ATOM 734 CA MET A 49 -10.991 -30.909 4.060 1.00 16.66 C ATOM 735 C MET A 49 -10.755 -30.323 5.447 1.00 16.66 C ATOM 736 O MET A 49 -9.654 -29.945 5.799 1.00 16.66 O ATOM 737 CB MET A 49 -11.734 -29.892 3.194 1.00 16.66 C ATOM 738 CG MET A 49 -11.449 -30.176 1.718 1.00 16.66 C ATOM 739 SD MET A 49 -11.641 -28.652 0.762 1.00 16.66 S ATOM 740 CE MET A 49 -12.748 -29.320 -0.506 1.00 16.66 C ATOM 0 H MET A 49 -12.704 -32.122 3.695 1.00 16.66 H new ATOM 0 HA MET A 49 -10.036 -31.149 3.593 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.805 -29.948 3.386 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.417 -28.881 3.449 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.438 -30.567 1.600 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.131 -30.940 1.345 1.00 16.66 H new ATOM 0 HE1 MET A 49 -13.002 -28.535 -1.218 1.00 16.66 H new ATOM 0 HE2 MET A 49 -12.251 -30.137 -1.029 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.658 -29.691 -0.035 1.00 16.66 H new ATOM 750 N MET A 50 -11.783 -30.253 6.242 1.00 16.66 N ATOM 751 CA MET A 50 -11.626 -29.702 7.612 1.00 16.66 C ATOM 752 C MET A 50 -10.659 -30.584 8.398 1.00 16.66 C ATOM 753 O MET A 50 -9.733 -30.108 9.022 1.00 16.66 O ATOM 754 CB MET A 50 -12.987 -29.690 8.305 1.00 16.66 C ATOM 755 CG MET A 50 -13.797 -28.489 7.815 1.00 16.66 C ATOM 756 SD MET A 50 -15.159 -28.176 8.961 1.00 16.66 S ATOM 757 CE MET A 50 -14.158 -27.545 10.327 1.00 50.00 C ATOM 0 H MET A 50 -12.727 -30.555 6.001 1.00 16.66 H new ATOM 0 HA MET A 50 -11.234 -28.686 7.562 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.523 -30.615 8.093 1.00 16.66 H new ATOM 0 HB3 MET A 50 -12.856 -29.638 9.386 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.157 -27.609 7.744 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.186 -28.682 6.815 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.676 -26.713 10.804 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.997 -28.338 11.057 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.196 -27.202 9.945 1.00 50.00 H new ATOM 767 N ALA A 51 -10.866 -31.869 8.367 1.00 16.66 N ATOM 768 CA ALA A 51 -9.957 -32.789 9.107 1.00 16.66 C ATOM 769 C ALA A 51 -8.523 -32.589 8.615 1.00 16.66 C ATOM 770 O ALA A 51 -7.572 -32.956 9.277 1.00 16.66 O ATOM 771 CB ALA A 51 -10.385 -34.237 8.858 1.00 50.00 C ATOM 0 H ALA A 51 -11.626 -32.324 7.861 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.009 -32.574 10.174 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.721 -34.911 9.399 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.408 -34.379 9.206 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.332 -34.454 7.791 1.00 50.00 H new ATOM 777 N GLU A 52 -8.359 -32.008 7.457 1.00 16.66 N ATOM 778 CA GLU A 52 -6.985 -31.782 6.925 1.00 16.66 C ATOM 779 C GLU A 52 -6.574 -30.333 7.186 1.00 16.66 C ATOM 780 O GLU A 52 -5.430 -30.041 7.471 1.00 16.66 O ATOM 781 CB GLU A 52 -6.969 -32.053 5.418 1.00 16.66 C ATOM 782 CG GLU A 52 -6.830 -33.557 5.173 1.00 16.66 C ATOM 783 CD GLU A 52 -6.347 -33.798 3.741 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.308 -32.843 2.982 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.025 -34.932 3.428 1.00 16.66 O ATOM 0 H GLU A 52 -9.116 -31.681 6.857 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.286 -32.455 7.421 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.887 -31.682 4.961 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.142 -31.519 4.950 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.125 -33.988 5.883 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.788 -34.052 5.333 1.00 16.66 H new ATOM 792 N ILE A 53 -7.503 -29.426 7.091 1.00 16.66 N ATOM 793 CA ILE A 53 -7.183 -27.994 7.329 1.00 16.66 C ATOM 794 C ILE A 53 -7.193 -27.703 8.831 1.00 16.66 C ATOM 795 O ILE A 53 -6.445 -26.882 9.322 1.00 16.66 O ATOM 796 CB ILE A 53 -8.236 -27.133 6.642 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.222 -27.422 5.141 1.00 16.66 C ATOM 798 CG2 ILE A 53 -7.922 -25.661 6.889 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.353 -26.651 4.464 1.00 50.00 C ATOM 0 H ILE A 53 -8.477 -29.617 6.857 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.195 -27.769 6.928 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.223 -27.363 7.044 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.263 -27.132 4.713 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.340 -28.491 4.964 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.673 -25.042 6.399 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -7.930 -25.462 7.961 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -6.938 -25.426 6.484 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.344 -26.857 3.394 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.309 -26.963 4.885 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.215 -25.583 4.629 1.00 50.00 H new ATOM 811 N ASP A 54 -8.034 -28.376 9.564 1.00 16.66 N ATOM 812 CA ASP A 54 -8.104 -28.155 11.032 1.00 16.66 C ATOM 813 C ASP A 54 -6.734 -28.462 11.649 1.00 16.66 C ATOM 814 O ASP A 54 -6.369 -29.605 11.838 1.00 16.66 O ATOM 815 CB ASP A 54 -9.166 -29.096 11.603 1.00 16.66 C ATOM 816 CG ASP A 54 -9.721 -28.538 12.917 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.232 -27.516 13.359 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.635 -29.143 13.453 1.00 16.66 O ATOM 0 H ASP A 54 -8.682 -29.077 9.204 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.368 -27.122 11.259 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -9.975 -29.222 10.883 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.734 -30.082 11.773 1.00 16.66 H new ATOM 823 N THR A 55 -5.968 -27.446 11.947 1.00 16.66 N ATOM 824 CA THR A 55 -4.613 -27.671 12.530 1.00 16.66 C ATOM 825 C THR A 55 -4.722 -28.290 13.924 1.00 16.66 C ATOM 826 O THR A 55 -4.029 -29.234 14.248 1.00 16.66 O ATOM 827 CB THR A 55 -3.876 -26.334 12.630 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.656 -25.421 13.389 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.646 -25.771 11.226 1.00 50.00 C ATOM 0 H THR A 55 -6.223 -26.468 11.811 1.00 16.66 H new ATOM 0 HA THR A 55 -4.064 -28.355 11.883 1.00 16.66 H new ATOM 0 HB THR A 55 -2.914 -26.483 13.120 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.605 -25.647 13.298 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.121 -24.818 11.297 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.047 -26.473 10.646 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.606 -25.620 10.733 1.00 50.00 H new ATOM 837 N ASP A 56 -5.576 -27.766 14.754 1.00 16.66 N ATOM 838 CA ASP A 56 -5.715 -28.330 16.127 1.00 16.66 C ATOM 839 C ASP A 56 -6.758 -29.448 16.120 1.00 16.66 C ATOM 840 O ASP A 56 -6.576 -30.488 16.723 1.00 16.66 O ATOM 841 CB ASP A 56 -6.137 -27.221 17.098 1.00 16.66 C ATOM 842 CG ASP A 56 -7.636 -26.953 16.962 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.029 -26.387 15.955 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.365 -27.321 17.866 1.00 16.66 O ATOM 0 H ASP A 56 -6.183 -26.974 14.544 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.758 -28.740 16.451 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -5.902 -27.513 18.122 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.576 -26.310 16.890 1.00 16.66 H new ATOM 849 N GLY A 57 -7.846 -29.245 15.434 1.00 16.66 N ATOM 850 CA GLY A 57 -8.898 -30.299 15.378 1.00 16.66 C ATOM 851 C GLY A 57 -10.076 -29.919 16.280 1.00 16.66 C ATOM 852 O GLY A 57 -10.762 -30.774 16.804 1.00 16.66 O ATOM 0 H GLY A 57 -8.054 -28.395 14.909 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.242 -30.425 14.352 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.482 -31.255 15.694 1.00 16.66 H new ATOM 856 N ASP A 58 -10.329 -28.650 16.460 1.00 16.66 N ATOM 857 CA ASP A 58 -11.476 -28.244 17.323 1.00 16.66 C ATOM 858 C ASP A 58 -12.771 -28.348 16.517 1.00 16.66 C ATOM 859 O ASP A 58 -13.850 -28.116 17.025 1.00 16.66 O ATOM 860 CB ASP A 58 -11.291 -26.801 17.800 1.00 50.00 C ATOM 861 CG ASP A 58 -11.456 -25.845 16.618 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.911 -26.136 15.567 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.124 -24.838 16.784 1.00 50.00 O ATOM 0 H ASP A 58 -9.796 -27.883 16.051 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.523 -28.902 18.191 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.021 -26.567 18.575 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.304 -26.678 18.245 1.00 50.00 H new ATOM 868 N GLY A 59 -12.675 -28.703 15.263 1.00 16.66 N ATOM 869 CA GLY A 59 -13.900 -28.829 14.429 1.00 16.66 C ATOM 870 C GLY A 59 -14.069 -27.577 13.565 1.00 16.66 C ATOM 871 O GLY A 59 -14.978 -27.488 12.763 1.00 16.66 O ATOM 0 H GLY A 59 -11.800 -28.911 14.782 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.830 -29.713 13.795 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.774 -28.962 15.067 1.00 16.66 H new ATOM 875 N PHE A 60 -13.212 -26.603 13.722 1.00 16.66 N ATOM 876 CA PHE A 60 -13.354 -25.367 12.905 1.00 16.66 C ATOM 877 C PHE A 60 -11.999 -24.885 12.376 1.00 16.66 C ATOM 878 O PHE A 60 -10.940 -25.159 12.934 1.00 16.66 O ATOM 879 CB PHE A 60 -13.971 -24.257 13.753 1.00 50.00 C ATOM 880 CG PHE A 60 -15.185 -24.783 14.472 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.431 -24.763 13.840 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.064 -25.285 15.772 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.560 -25.247 14.506 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.194 -25.769 16.439 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.442 -25.751 15.808 1.00 50.00 C ATOM 0 H PHE A 60 -12.428 -26.611 14.374 1.00 16.66 H new ATOM 0 HA PHE A 60 -13.997 -25.603 12.057 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.241 -23.888 14.474 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.248 -23.414 13.120 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.521 -24.373 12.837 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.100 -25.299 16.259 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.523 -25.233 14.017 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.103 -26.157 17.443 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.314 -26.125 16.324 1.00 50.00 H new ATOM 895 N ILE A 61 -12.040 -24.141 11.303 1.00 16.66 N ATOM 896 CA ILE A 61 -10.799 -23.593 10.709 1.00 16.66 C ATOM 897 C ILE A 61 -10.780 -22.081 10.945 1.00 16.66 C ATOM 898 O ILE A 61 -11.742 -21.392 10.673 1.00 16.66 O ATOM 899 CB ILE A 61 -10.785 -23.873 9.205 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.144 -25.339 8.952 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.391 -23.581 8.647 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.119 -26.243 9.638 1.00 16.66 C ATOM 0 H ILE A 61 -12.897 -23.889 10.810 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.926 -24.058 11.167 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.516 -23.234 8.709 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.143 -25.550 9.333 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.162 -25.540 7.881 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.379 -23.780 7.575 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.140 -22.535 8.825 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.660 -24.219 9.143 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.376 -27.287 9.457 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.127 -26.038 9.236 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.123 -26.049 10.711 1.00 16.66 H new ATOM 914 N SER A 62 -9.698 -21.556 11.440 1.00 16.66 N ATOM 915 CA SER A 62 -9.626 -20.093 11.681 1.00 16.66 C ATOM 916 C SER A 62 -8.872 -19.444 10.527 1.00 16.66 C ATOM 917 O SER A 62 -8.267 -20.117 9.715 1.00 16.66 O ATOM 918 CB SER A 62 -8.886 -19.823 12.993 1.00 16.66 C ATOM 919 OG SER A 62 -9.373 -20.700 13.999 1.00 16.66 O ATOM 0 H SER A 62 -8.858 -22.079 11.689 1.00 16.66 H new ATOM 0 HA SER A 62 -10.632 -19.679 11.749 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.815 -19.969 12.856 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.030 -18.786 13.298 1.00 16.66 H new ATOM 0 HG SER A 62 -8.899 -20.529 14.839 1.00 16.66 H new ATOM 925 N PHE A 63 -8.897 -18.147 10.439 1.00 16.66 N ATOM 926 CA PHE A 63 -8.174 -17.484 9.327 1.00 16.66 C ATOM 927 C PHE A 63 -6.720 -17.942 9.349 1.00 16.66 C ATOM 928 O PHE A 63 -6.135 -18.251 8.331 1.00 16.66 O ATOM 929 CB PHE A 63 -8.227 -15.969 9.493 1.00 16.66 C ATOM 930 CG PHE A 63 -7.509 -15.341 8.328 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.904 -15.655 7.024 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.445 -14.460 8.548 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.236 -15.086 5.936 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.776 -13.891 7.459 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.173 -14.203 6.153 1.00 16.66 C ATOM 0 H PHE A 63 -9.382 -17.523 11.083 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.642 -17.751 8.379 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.261 -15.627 9.531 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.759 -15.673 10.432 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.725 -16.337 6.858 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.141 -14.220 9.556 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.540 -15.328 4.928 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -4.953 -13.211 7.626 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.658 -13.762 5.313 1.00 16.66 H new ATOM 945 N GLN A 64 -6.138 -17.993 10.513 1.00 16.66 N ATOM 946 CA GLN A 64 -4.724 -18.434 10.622 1.00 16.66 C ATOM 947 C GLN A 64 -4.597 -19.860 10.079 1.00 16.66 C ATOM 948 O GLN A 64 -3.733 -20.154 9.278 1.00 16.66 O ATOM 949 CB GLN A 64 -4.311 -18.408 12.093 1.00 16.66 C ATOM 950 CG GLN A 64 -2.807 -18.667 12.206 1.00 16.66 C ATOM 951 CD GLN A 64 -2.039 -17.485 11.611 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.231 -16.355 12.013 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.171 -17.700 10.660 1.00 50.00 N ATOM 0 H GLN A 64 -6.584 -17.747 11.397 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.079 -17.770 10.047 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.559 -17.442 12.534 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.864 -19.164 12.650 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.529 -18.806 13.251 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.545 -19.586 11.681 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.009 -18.649 10.322 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.654 -16.919 10.255 1.00 50.00 H new ATOM 962 N GLU A 65 -5.457 -20.746 10.505 1.00 16.66 N ATOM 963 CA GLU A 65 -5.392 -22.146 10.012 1.00 16.66 C ATOM 964 C GLU A 65 -5.587 -22.151 8.496 1.00 16.66 C ATOM 965 O GLU A 65 -4.852 -22.785 7.765 1.00 16.66 O ATOM 966 CB GLU A 65 -6.500 -22.966 10.673 1.00 16.66 C ATOM 967 CG GLU A 65 -6.126 -23.257 12.131 1.00 16.66 C ATOM 968 CD GLU A 65 -7.234 -24.085 12.793 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.378 -23.886 12.458 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.916 -24.904 13.626 1.00 16.66 O ATOM 0 H GLU A 65 -6.203 -20.557 11.175 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.423 -22.581 10.258 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.443 -22.422 10.631 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.647 -23.900 10.131 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.180 -23.797 12.173 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.984 -22.322 12.674 1.00 16.66 H new ATOM 977 N PHE A 66 -6.572 -21.443 8.021 1.00 16.66 N ATOM 978 CA PHE A 66 -6.819 -21.395 6.554 1.00 16.66 C ATOM 979 C PHE A 66 -5.616 -20.756 5.861 1.00 16.66 C ATOM 980 O PHE A 66 -5.273 -21.097 4.745 1.00 16.66 O ATOM 981 CB PHE A 66 -8.071 -20.562 6.277 1.00 16.66 C ATOM 982 CG PHE A 66 -8.323 -20.507 4.789 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.695 -19.529 4.008 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.187 -21.433 4.192 1.00 16.66 C ATOM 985 CE1 PHE A 66 -7.932 -19.477 2.629 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.424 -21.381 2.814 1.00 16.66 C ATOM 987 CZ PHE A 66 -8.797 -20.404 2.032 1.00 16.66 C ATOM 0 H PHE A 66 -7.219 -20.894 8.587 1.00 16.66 H new ATOM 0 HA PHE A 66 -6.965 -22.406 6.173 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.931 -20.998 6.786 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.944 -19.554 6.672 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.028 -18.815 4.469 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.670 -22.187 4.795 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.448 -18.723 2.026 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.091 -22.095 2.354 1.00 16.66 H new ATOM 0 HZ PHE A 66 -8.980 -20.365 0.968 1.00 16.66 H new ATOM 997 N THR A 67 -4.969 -19.833 6.517 1.00 16.66 N ATOM 998 CA THR A 67 -3.785 -19.173 5.902 1.00 16.66 C ATOM 999 C THR A 67 -2.645 -20.186 5.786 1.00 16.66 C ATOM 1000 O THR A 67 -2.036 -20.335 4.746 1.00 16.66 O ATOM 1001 CB THR A 67 -3.341 -18.000 6.779 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.364 -17.013 6.800 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.056 -17.394 6.214 1.00 50.00 C ATOM 0 H THR A 67 -5.210 -19.507 7.453 1.00 16.66 H new ATOM 0 HA THR A 67 -4.046 -18.803 4.910 1.00 16.66 H new ATOM 0 HB THR A 67 -3.156 -18.354 7.793 1.00 50.00 H new ATOM 0 HG1 THR A 67 -4.990 -17.206 7.529 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.742 -16.559 6.840 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.272 -18.151 6.199 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.237 -17.039 5.199 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.353 -20.887 6.849 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.256 -21.892 6.799 1.00 25.00 C ATOM 1013 C ASP A 68 -1.572 -22.935 5.727 1.00 25.00 C ATOM 1014 O ASP A 68 -0.696 -23.411 5.031 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.131 -22.580 8.161 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.860 -21.530 9.239 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.489 -20.424 8.882 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.027 -21.849 10.405 1.00 50.00 O ATOM 0 H ASP A 68 -2.827 -20.806 7.748 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.317 -21.395 6.557 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.047 -23.125 8.391 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.323 -23.311 8.139 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.818 -23.289 5.585 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.200 -24.292 4.558 1.00 25.00 C ATOM 1025 C PHE A 69 -3.242 -23.598 3.193 1.00 25.00 C ATOM 1026 O PHE A 69 -2.863 -24.161 2.185 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.573 -24.880 4.936 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.383 -25.191 3.700 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -5.970 -24.149 2.981 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.541 -26.514 3.280 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.720 -24.428 1.832 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.289 -26.796 2.132 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.879 -25.753 1.408 1.00 50.00 C ATOM 0 H PHE A 69 -3.592 -22.923 6.140 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.478 -25.107 4.508 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.435 -25.788 5.524 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.116 -24.173 5.563 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.846 -23.128 3.311 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.087 -27.318 3.841 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.175 -23.623 1.274 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.411 -27.818 1.804 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.457 -25.971 0.522 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.698 -22.377 3.157 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.763 -21.641 1.865 1.00 16.66 C ATOM 1045 C GLY A 70 -2.359 -21.558 1.262 1.00 16.66 C ATOM 1046 O GLY A 70 -2.190 -21.508 0.060 1.00 16.66 O ATOM 0 H GLY A 70 -4.029 -21.856 3.969 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.438 -22.150 1.177 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.164 -20.640 2.023 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.351 -21.549 2.090 1.00 25.00 N ATOM 1051 CA ARG A 71 0.042 -21.477 1.568 1.00 25.00 C ATOM 1052 C ARG A 71 0.398 -22.810 0.911 1.00 25.00 C ATOM 1053 O ARG A 71 1.136 -22.864 -0.054 1.00 25.00 O ATOM 1054 CB ARG A 71 1.007 -21.197 2.720 1.00 50.00 C ATOM 1055 CG ARG A 71 0.733 -19.802 3.287 1.00 50.00 C ATOM 1056 CD ARG A 71 1.782 -19.467 4.348 1.00 50.00 C ATOM 1057 NE ARG A 71 1.742 -20.494 5.427 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.479 -20.349 6.493 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.602 -19.686 6.425 1.00 50.00 N ATOM 1060 NH2 ARG A 71 2.095 -20.867 7.628 1.00 50.00 N ATOM 0 H ARG A 71 -1.432 -21.588 3.106 1.00 25.00 H new ATOM 0 HA ARG A 71 0.119 -20.675 0.834 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.887 -21.949 3.500 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.037 -21.263 2.370 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.760 -19.061 2.488 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.265 -19.765 3.723 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.774 -19.436 3.897 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.590 -18.478 4.765 1.00 50.00 H new ATOM 0 HE ARG A 71 1.138 -21.310 5.332 1.00 50.00 H new ATOM 0 HH11 ARG A 71 3.903 -19.282 5.538 1.00 50.00 H new ATOM 0 HH12 ARG A 71 4.179 -19.573 7.259 1.00 50.00 H new ATOM 0 HH21 ARG A 71 1.218 -21.385 7.681 1.00 50.00 H new ATOM 0 HH22 ARG A 71 2.672 -20.753 8.462 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.127 -23.887 1.425 1.00 25.00 N ATOM 1075 CA ALA A 72 0.171 -25.220 0.833 1.00 25.00 C ATOM 1076 C ALA A 72 -0.455 -25.305 -0.561 1.00 25.00 C ATOM 1077 O ALA A 72 -0.058 -26.104 -1.384 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.422 -26.314 1.724 1.00 50.00 C ATOM 0 H ALA A 72 -0.751 -23.901 2.232 1.00 25.00 H new ATOM 0 HA ALA A 72 1.250 -25.355 0.758 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.205 -27.291 1.293 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.018 -26.251 2.719 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.501 -26.180 1.795 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.431 -24.481 -0.829 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.086 -24.504 -2.167 1.00 25.00 C ATOM 1086 C ASN A 73 -2.508 -23.084 -2.542 1.00 25.00 C ATOM 1087 O ASN A 73 -3.668 -22.811 -2.781 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.319 -25.409 -2.117 1.00 25.00 C ATOM 1089 CG ASN A 73 -2.994 -26.672 -1.320 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.275 -27.532 -1.788 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.499 -26.822 -0.127 1.00 50.00 N ATOM 0 H ASN A 73 -1.804 -23.791 -0.177 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.388 -24.888 -2.911 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.153 -24.880 -1.656 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.630 -25.674 -3.128 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.290 -27.662 0.413 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.103 -26.100 0.266 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.574 -22.176 -2.594 1.00 25.00 N ATOM 1099 CA ARG A 74 -1.917 -20.772 -2.952 1.00 25.00 C ATOM 1100 C ARG A 74 -2.728 -20.775 -4.243 1.00 25.00 C ATOM 1101 O ARG A 74 -3.653 -20.006 -4.414 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.633 -19.965 -3.153 1.00 25.00 C ATOM 1103 CG ARG A 74 0.033 -19.722 -1.797 1.00 25.00 C ATOM 1104 CD ARG A 74 1.139 -18.676 -1.951 1.00 25.00 C ATOM 1105 NE ARG A 74 2.100 -19.119 -2.999 1.00 25.00 N ATOM 1106 CZ ARG A 74 2.938 -18.264 -3.518 1.00 50.00 C ATOM 1107 NH1 ARG A 74 4.132 -18.128 -3.009 1.00 50.00 N ATOM 1108 NH2 ARG A 74 2.581 -17.544 -4.548 1.00 50.00 N ATOM 0 H ARG A 74 -0.586 -22.346 -2.404 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.501 -20.319 -2.151 1.00 25.00 H new ATOM 0 HB2 ARG A 74 0.048 -20.502 -3.814 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.860 -19.014 -3.635 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.707 -19.381 -1.073 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.449 -20.653 -1.413 1.00 25.00 H new ATOM 0 HD2 ARG A 74 0.708 -17.712 -2.222 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.658 -18.537 -1.002 1.00 25.00 H new ATOM 0 HE ARG A 74 2.103 -20.090 -3.311 1.00 25.00 H new ATOM 0 HH11 ARG A 74 4.411 -18.690 -2.205 1.00 50.00 H new ATOM 0 HH12 ARG A 74 4.786 -17.459 -3.415 1.00 50.00 H new ATOM 0 HH21 ARG A 74 1.648 -17.650 -4.946 1.00 50.00 H new ATOM 0 HH22 ARG A 74 3.235 -16.875 -4.954 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.388 -21.643 -5.151 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.133 -21.713 -6.433 1.00 25.00 C ATOM 1124 C GLY A 75 -4.590 -22.091 -6.153 1.00 25.00 C ATOM 1125 O GLY A 75 -5.486 -21.745 -6.896 1.00 25.00 O ATOM 0 H GLY A 75 -1.622 -22.310 -5.059 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.087 -20.753 -6.946 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.675 -22.450 -7.093 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.829 -22.800 -5.085 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.226 -23.203 -4.754 1.00 25.00 C ATOM 1131 C LEU A 76 -7.034 -21.971 -4.346 1.00 25.00 C ATOM 1132 O LEU A 76 -8.155 -21.781 -4.771 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.209 -24.205 -3.597 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.853 -25.597 -4.124 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.867 -26.599 -2.967 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.880 -26.020 -5.176 1.00 50.00 C ATOM 0 H LEU A 76 -4.118 -23.118 -4.427 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.684 -23.664 -5.629 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.484 -23.894 -2.845 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.184 -24.229 -3.110 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.860 -25.574 -4.573 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.614 -27.591 -3.342 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.137 -26.297 -2.216 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.860 -26.623 -2.519 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.628 -27.011 -5.553 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.873 -26.044 -4.726 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.872 -25.306 -6.000 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.474 -21.140 -3.516 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.207 -19.924 -3.067 1.00 25.00 C ATOM 1150 C LEU A 77 -7.327 -18.932 -4.225 1.00 25.00 C ATOM 1151 O LEU A 77 -8.163 -18.049 -4.212 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.447 -19.265 -1.913 1.00 25.00 C ATOM 1153 CG LEU A 77 -5.860 -20.344 -0.998 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.409 -19.702 0.317 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -6.923 -21.406 -0.706 1.00 50.00 C ATOM 0 H LEU A 77 -5.537 -21.250 -3.127 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.204 -20.211 -2.733 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.650 -18.633 -2.304 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.117 -18.619 -1.346 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.007 -20.812 -1.490 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -4.991 -20.467 0.971 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.651 -18.946 0.112 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.264 -19.235 0.806 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.502 -22.172 -0.055 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -7.777 -20.940 -0.214 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.248 -21.863 -1.641 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.504 -19.066 -5.228 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.581 -18.127 -6.381 1.00 25.00 C ATOM 1169 C LYS A 78 -7.721 -18.550 -7.309 1.00 25.00 C ATOM 1170 O LYS A 78 -8.294 -17.742 -8.013 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.258 -18.152 -7.148 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.162 -17.517 -6.289 1.00 25.00 C ATOM 1173 CD LYS A 78 -2.945 -17.204 -7.163 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.370 -18.506 -7.725 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.474 -18.197 -8.875 1.00 50.00 N ATOM 0 H LYS A 78 -5.783 -19.784 -5.299 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.768 -17.117 -6.016 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -4.990 -19.178 -7.400 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.359 -17.609 -8.088 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.533 -16.604 -5.824 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.879 -18.194 -5.483 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.231 -16.539 -7.978 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.188 -16.683 -6.577 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -1.816 -19.036 -6.950 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.177 -19.164 -8.046 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.083 -19.081 -9.258 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -2.016 -17.709 -9.616 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -0.697 -17.585 -8.555 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.052 -19.813 -7.319 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.152 -20.286 -8.205 1.00 25.00 C ATOM 1191 C ASP A 79 -10.477 -20.240 -7.443 1.00 25.00 C ATOM 1192 O ASP A 79 -11.490 -19.818 -7.964 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.869 -21.722 -8.643 1.00 25.00 C ATOM 1194 CG ASP A 79 -9.991 -22.207 -9.562 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -10.831 -21.397 -9.918 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -9.992 -23.381 -9.896 1.00 50.00 O ATOM 0 H ASP A 79 -7.609 -20.536 -6.753 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.214 -19.642 -9.082 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -7.912 -21.773 -9.162 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -8.793 -22.371 -7.771 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.473 -20.670 -6.214 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.728 -20.654 -5.413 1.00 25.00 C ATOM 1203 C VAL A 80 -12.239 -19.218 -5.313 1.00 25.00 C ATOM 1204 O VAL A 80 -13.409 -18.942 -5.486 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.439 -21.204 -4.012 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.789 -20.122 -3.142 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.747 -21.660 -3.363 1.00 50.00 C ATOM 0 H VAL A 80 -9.653 -21.033 -5.728 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.485 -21.274 -5.893 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.756 -22.049 -4.098 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.589 -20.525 -2.149 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.853 -19.801 -3.599 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.463 -19.269 -3.058 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.542 -22.051 -2.367 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.430 -20.814 -3.287 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.203 -22.440 -3.972 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.357 -18.307 -5.029 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.763 -16.879 -4.906 1.00 25.00 C ATOM 1219 C ALA A 81 -12.612 -16.474 -6.114 1.00 25.00 C ATOM 1220 O ALA A 81 -13.566 -15.731 -5.992 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.513 -15.998 -4.845 1.00 50.00 C ATOM 0 H ALA A 81 -10.365 -18.489 -4.875 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.348 -16.749 -3.996 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.809 -14.953 -4.755 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.911 -16.280 -3.982 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.928 -16.133 -5.755 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.272 -16.953 -7.276 1.00 25.00 N ATOM 1228 CA LYS A 82 -13.057 -16.592 -8.490 1.00 25.00 C ATOM 1229 C LYS A 82 -14.437 -17.249 -8.423 1.00 25.00 C ATOM 1230 O LYS A 82 -15.386 -16.783 -9.021 1.00 25.00 O ATOM 1231 CB LYS A 82 -12.319 -17.082 -9.737 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.886 -16.546 -9.726 1.00 25.00 C ATOM 1233 CD LYS A 82 -10.161 -17.000 -10.994 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.707 -16.527 -10.948 1.00 50.00 C ATOM 1235 NZ LYS A 82 -8.582 -15.232 -11.676 1.00 50.00 N ATOM 0 H LYS A 82 -11.484 -17.580 -7.439 1.00 25.00 H new ATOM 0 HA LYS A 82 -13.174 -15.509 -8.537 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.311 -18.172 -9.763 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.837 -16.746 -10.635 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.894 -15.458 -9.669 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -10.358 -16.907 -8.843 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -10.199 -18.086 -11.078 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.659 -16.595 -11.875 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.385 -16.407 -9.914 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.056 -17.275 -11.400 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -7.594 -14.910 -11.645 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.873 -15.361 -12.666 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -9.192 -14.520 -11.226 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.553 -18.328 -7.701 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.869 -19.015 -7.595 1.00 25.00 C ATOM 1251 C ILE A 83 -16.871 -18.096 -6.898 1.00 25.00 C ATOM 1252 O ILE A 83 -17.998 -17.946 -7.329 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.704 -20.302 -6.786 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.564 -21.132 -7.380 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.004 -21.103 -6.836 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.538 -22.513 -6.721 1.00 50.00 C ATOM 0 H ILE A 83 -13.792 -18.764 -7.179 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.236 -19.257 -8.593 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.471 -20.057 -5.750 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.698 -21.234 -8.457 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.612 -20.625 -7.224 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -16.888 -22.021 -6.260 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.814 -20.509 -6.413 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.239 -21.352 -7.871 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -13.726 -23.103 -7.145 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.384 -22.401 -5.648 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.486 -23.020 -6.900 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.468 -17.478 -5.826 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.394 -16.565 -5.097 1.00 25.00 C ATOM 1270 C PHE A 84 -17.363 -15.182 -5.752 1.00 25.00 C ATOM 1271 O PHE A 84 -16.302 -14.580 -5.770 1.00 99.99 O ATOM 1272 CB PHE A 84 -16.953 -16.447 -3.638 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.084 -17.792 -2.963 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.083 -18.757 -3.127 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.206 -18.073 -2.175 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.205 -20.005 -2.503 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.328 -19.321 -1.551 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.328 -20.286 -1.715 1.00 50.00 C ATOM 1279 OXT PHE A 84 -18.402 -14.748 -6.221 1.00 25.00 O ATOM 0 H PHE A 84 -15.536 -17.564 -5.421 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.407 -16.966 -5.138 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.921 -16.101 -3.586 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.564 -15.707 -3.121 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.217 -18.539 -3.734 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.977 -17.328 -2.048 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.433 -20.750 -2.629 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.194 -19.539 -0.943 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.422 -21.248 -1.234 1.00 50.00 H new