USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 453 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 Set 1.1: A 12 GLN : amide:sc= 0.61 K(o=1.9,f=-6.4!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -109:sc= 1.27! (180deg=-1.35!) USER MOD Set 2.1: A 44 CYS SG : rot -32:sc= 0.364 USER MOD Set 2.2: A 51 THR OG1 : rot -35:sc= -2.02! USER MOD Set 2.3: A 69 MET CE :methyl 176:sc= -3.19 (180deg=-2.86) USER MOD Single : A 11 SER OG : rot -90:sc= 0.137 USER MOD Single : A 14 HIS : no HD1:sc= -7.95! C(o=-8!,f=-3.3!) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0.544! (180deg=0.528!) USER MOD Single : A 21 ASN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 22 MET CE :methyl 173:sc= -1.52 (180deg=-1.74) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 25 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 137:sc= 0.157 (180deg=-1.55!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 75 LYS NZ :NH3+ 139:sc= 0.725 (180deg=-0.483) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -12.602 -9.272 -3.185 1.00 0.00 N ATOM 122 CA PRO A 9 -13.689 -10.172 -2.735 1.00 0.00 C ATOM 123 C PRO A 9 -13.182 -11.623 -2.642 1.00 0.00 C ATOM 124 O PRO A 9 -13.000 -12.156 -1.556 1.00 0.00 O ATOM 125 CB PRO A 9 -14.766 -10.000 -3.816 1.00 0.00 C ATOM 126 CG PRO A 9 -14.042 -9.470 -5.076 1.00 0.00 C ATOM 127 CD PRO A 9 -12.729 -8.825 -4.590 1.00 0.00 C ATOM 0 HA PRO A 9 -14.069 -9.938 -1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.262 -10.948 -4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -15.536 -9.302 -3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.840 -10.280 -5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.660 -8.742 -5.601 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.879 -9.151 -5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.770 -7.738 -4.660 1.00 0.00 H new ATOM 135 N ILE A 10 -12.927 -12.264 -3.760 1.00 0.00 N ATOM 136 CA ILE A 10 -12.396 -13.670 -3.737 1.00 0.00 C ATOM 137 C ILE A 10 -13.367 -14.653 -3.027 1.00 0.00 C ATOM 138 O ILE A 10 -13.068 -15.840 -2.904 1.00 0.00 O ATOM 139 CB ILE A 10 -11.048 -13.654 -3.013 1.00 0.00 C ATOM 140 CG1 ILE A 10 -10.228 -12.422 -3.419 1.00 0.00 C ATOM 141 CG2 ILE A 10 -10.251 -14.912 -3.364 1.00 0.00 C ATOM 142 CD1 ILE A 10 -9.940 -12.451 -4.924 1.00 0.00 C ATOM 0 H ILE A 10 -13.064 -11.873 -4.692 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.287 -14.021 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 10 -11.241 -13.621 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.772 -11.513 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -9.291 -12.400 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.293 -14.893 -2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.812 -15.795 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.080 -14.946 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.358 -11.572 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.377 -13.351 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.881 -12.451 -5.475 1.00 0.00 H new ATOM 154 N SER A 11 -14.507 -14.189 -2.560 1.00 0.00 N ATOM 155 CA SER A 11 -15.496 -15.079 -1.846 1.00 0.00 C ATOM 156 C SER A 11 -15.531 -16.499 -2.434 1.00 0.00 C ATOM 157 O SER A 11 -15.074 -17.441 -1.803 1.00 0.00 O ATOM 158 CB SER A 11 -16.897 -14.465 -1.934 1.00 0.00 C ATOM 159 OG SER A 11 -17.460 -14.407 -0.632 1.00 0.00 O ATOM 0 H SER A 11 -14.801 -13.216 -2.643 1.00 0.00 H new ATOM 0 HA SER A 11 -15.175 -15.155 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.843 -13.466 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.529 -15.062 -2.591 1.00 0.00 H new ATOM 0 HG SER A 11 -17.953 -15.235 -0.452 1.00 0.00 H new ATOM 165 N GLN A 12 -16.083 -16.672 -3.613 1.00 0.00 N ATOM 166 CA GLN A 12 -16.178 -18.042 -4.234 1.00 0.00 C ATOM 167 C GLN A 12 -14.895 -18.865 -3.995 1.00 0.00 C ATOM 168 O GLN A 12 -14.954 -20.047 -3.657 1.00 0.00 O ATOM 169 CB GLN A 12 -16.420 -17.902 -5.739 1.00 0.00 C ATOM 170 CG GLN A 12 -17.828 -17.344 -5.982 1.00 0.00 C ATOM 171 CD GLN A 12 -17.956 -16.893 -7.437 1.00 0.00 C ATOM 172 OE1 GLN A 12 -17.687 -15.741 -7.767 1.00 0.00 O ATOM 173 NE2 GLN A 12 -18.352 -17.741 -8.334 1.00 0.00 N ATOM 0 H GLN A 12 -16.476 -15.920 -4.179 1.00 0.00 H new ATOM 0 HA GLN A 12 -17.009 -18.569 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.674 -17.239 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.312 -18.871 -6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.575 -18.106 -5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.018 -16.505 -5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.577 -18.699 -8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.439 -17.450 -9.308 1.00 0.00 H new ATOM 182 N VAL A 13 -13.739 -18.273 -4.158 1.00 0.00 N ATOM 183 CA VAL A 13 -12.469 -19.038 -3.928 1.00 0.00 C ATOM 184 C VAL A 13 -12.280 -19.260 -2.422 1.00 0.00 C ATOM 185 O VAL A 13 -11.868 -20.335 -1.986 1.00 0.00 O ATOM 186 CB VAL A 13 -11.275 -18.259 -4.497 1.00 0.00 C ATOM 187 CG1 VAL A 13 -10.022 -19.134 -4.452 1.00 0.00 C ATOM 188 CG2 VAL A 13 -11.554 -17.869 -5.950 1.00 0.00 C ATOM 0 H VAL A 13 -13.616 -17.300 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.529 -20.002 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.122 -17.361 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.176 -18.579 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.812 -19.415 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.184 -20.033 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.703 -17.316 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.713 -18.769 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.446 -17.243 -5.994 1.00 0.00 H new ATOM 198 N HIS A 14 -12.592 -18.277 -1.619 1.00 0.00 N ATOM 199 CA HIS A 14 -12.460 -18.436 -0.141 1.00 0.00 C ATOM 200 C HIS A 14 -13.442 -19.517 0.332 1.00 0.00 C ATOM 201 O HIS A 14 -13.099 -20.379 1.141 1.00 0.00 O ATOM 202 CB HIS A 14 -12.793 -17.106 0.536 1.00 0.00 C ATOM 203 CG HIS A 14 -11.602 -16.201 0.470 1.00 0.00 C ATOM 204 ND1 HIS A 14 -10.747 -16.031 1.544 1.00 0.00 N ATOM 205 CD2 HIS A 14 -11.109 -15.411 -0.534 1.00 0.00 C ATOM 206 CE1 HIS A 14 -9.788 -15.166 1.164 1.00 0.00 C ATOM 207 NE2 HIS A 14 -9.962 -14.758 -0.095 1.00 0.00 N ATOM 0 H HIS A 14 -12.934 -17.366 -1.925 1.00 0.00 H new ATOM 0 HA HIS A 14 -11.442 -18.729 0.117 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -13.646 -16.639 0.044 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -13.077 -17.275 1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.545 -15.310 -1.517 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.977 -14.842 1.800 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -9.379 -14.107 -0.622 1.00 0.00 H new ATOM 215 N GLU A 15 -14.650 -19.485 -0.175 1.00 0.00 N ATOM 216 CA GLU A 15 -15.679 -20.500 0.204 1.00 0.00 C ATOM 217 C GLU A 15 -15.125 -21.905 -0.062 1.00 0.00 C ATOM 218 O GLU A 15 -15.100 -22.760 0.823 1.00 0.00 O ATOM 219 CB GLU A 15 -16.938 -20.278 -0.648 1.00 0.00 C ATOM 220 CG GLU A 15 -17.591 -18.929 -0.288 1.00 0.00 C ATOM 221 CD GLU A 15 -18.271 -18.299 -1.515 1.00 0.00 C ATOM 222 OE1 GLU A 15 -18.767 -19.035 -2.357 1.00 0.00 O ATOM 223 OE2 GLU A 15 -18.288 -17.083 -1.589 1.00 0.00 O ATOM 0 H GLU A 15 -14.970 -18.787 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.927 -20.401 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.678 -20.294 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.647 -21.090 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.326 -19.077 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.835 -18.248 0.102 1.00 0.00 H new ATOM 230 N ILE A 16 -14.666 -22.157 -1.263 1.00 0.00 N ATOM 231 CA ILE A 16 -14.103 -23.505 -1.584 1.00 0.00 C ATOM 232 C ILE A 16 -12.803 -23.721 -0.792 1.00 0.00 C ATOM 233 O ILE A 16 -12.580 -24.789 -0.223 1.00 0.00 O ATOM 234 CB ILE A 16 -13.831 -23.598 -3.091 1.00 0.00 C ATOM 235 CG1 ILE A 16 -15.165 -23.656 -3.838 1.00 0.00 C ATOM 236 CG2 ILE A 16 -13.033 -24.865 -3.400 1.00 0.00 C ATOM 237 CD1 ILE A 16 -14.911 -23.576 -5.343 1.00 0.00 C ATOM 0 H ILE A 16 -14.657 -21.489 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.818 -24.279 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.260 -22.725 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.690 -24.580 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.807 -22.833 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.844 -24.924 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.084 -24.837 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.602 -25.739 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -15.861 -23.617 -5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.404 -22.640 -5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -14.286 -24.414 -5.652 1.00 0.00 H new ATOM 249 N GLY A 17 -11.950 -22.724 -0.734 1.00 0.00 N ATOM 250 CA GLY A 17 -10.669 -22.861 0.036 1.00 0.00 C ATOM 251 C GLY A 17 -10.981 -23.309 1.467 1.00 0.00 C ATOM 252 O GLY A 17 -10.528 -24.361 1.915 1.00 0.00 O ATOM 0 H GLY A 17 -12.085 -21.820 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.016 -23.586 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.136 -21.910 0.049 1.00 0.00 H new ATOM 256 N ILE A 18 -11.760 -22.542 2.186 1.00 0.00 N ATOM 257 CA ILE A 18 -12.123 -22.930 3.580 1.00 0.00 C ATOM 258 C ILE A 18 -12.873 -24.270 3.559 1.00 0.00 C ATOM 259 O ILE A 18 -12.697 -25.110 4.443 1.00 0.00 O ATOM 260 CB ILE A 18 -12.987 -21.816 4.194 1.00 0.00 C ATOM 261 CG1 ILE A 18 -12.437 -21.482 5.578 1.00 0.00 C ATOM 262 CG2 ILE A 18 -14.456 -22.244 4.308 1.00 0.00 C ATOM 263 CD1 ILE A 18 -13.505 -20.770 6.410 1.00 0.00 C ATOM 0 H ILE A 18 -12.161 -21.661 1.865 1.00 0.00 H new ATOM 0 HA ILE A 18 -11.228 -23.054 4.189 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.948 -20.941 3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.121 -22.395 6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.555 -20.848 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.038 -21.433 4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.845 -22.476 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.529 -23.127 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.102 -20.536 7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.800 -19.847 5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.374 -21.418 6.518 1.00 0.00 H new ATOM 275 N LYS A 19 -13.687 -24.496 2.554 1.00 0.00 N ATOM 276 CA LYS A 19 -14.433 -25.790 2.456 1.00 0.00 C ATOM 277 C LYS A 19 -13.452 -26.964 2.600 1.00 0.00 C ATOM 278 O LYS A 19 -13.796 -28.019 3.138 1.00 0.00 O ATOM 279 CB LYS A 19 -15.128 -25.877 1.094 1.00 0.00 C ATOM 280 CG LYS A 19 -16.518 -26.508 1.253 1.00 0.00 C ATOM 281 CD LYS A 19 -16.416 -28.029 1.082 1.00 0.00 C ATOM 282 CE LYS A 19 -16.740 -28.726 2.407 1.00 0.00 C ATOM 283 NZ LYS A 19 -15.582 -29.571 2.818 1.00 0.00 N ATOM 0 H LYS A 19 -13.866 -23.837 1.796 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.177 -25.838 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.219 -24.882 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.526 -26.472 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.927 -26.269 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.203 -26.094 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.106 -28.364 0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.412 -28.300 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.955 -27.985 3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.633 -29.341 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.813 -30.071 3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.375 -30.264 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.749 -28.968 2.971 1.00 0.00 H new ATOM 297 N ARG A 20 -12.244 -26.805 2.127 1.00 0.00 N ATOM 298 CA ARG A 20 -11.237 -27.905 2.239 1.00 0.00 C ATOM 299 C ARG A 20 -10.055 -27.456 3.119 1.00 0.00 C ATOM 300 O ARG A 20 -8.965 -28.020 3.042 1.00 0.00 O ATOM 301 CB ARG A 20 -10.726 -28.255 0.837 1.00 0.00 C ATOM 302 CG ARG A 20 -11.340 -29.577 0.377 1.00 0.00 C ATOM 303 CD ARG A 20 -11.002 -29.799 -1.098 1.00 0.00 C ATOM 304 NE ARG A 20 -10.455 -31.180 -1.276 1.00 0.00 N ATOM 305 CZ ARG A 20 -10.652 -31.822 -2.377 1.00 0.00 C ATOM 306 NH1 ARG A 20 -9.865 -31.631 -3.379 1.00 0.00 N ATOM 307 NH2 ARG A 20 -11.633 -32.649 -2.469 1.00 0.00 N ATOM 0 H ARG A 20 -11.909 -25.959 1.666 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.704 -28.777 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.984 -27.460 0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.639 -28.332 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.955 -30.400 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.421 -29.558 0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.893 -29.666 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.273 -29.061 -1.431 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.923 -31.616 -0.523 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.089 -30.974 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.018 -32.137 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.253 -32.796 -1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.791 -33.158 -3.339 1.00 0.00 H new ATOM 321 N ASN A 21 -10.246 -26.454 3.948 1.00 0.00 N ATOM 322 CA ASN A 21 -9.131 -25.967 4.823 1.00 0.00 C ATOM 323 C ASN A 21 -7.913 -25.595 3.951 1.00 0.00 C ATOM 324 O ASN A 21 -6.766 -25.884 4.293 1.00 0.00 O ATOM 325 CB ASN A 21 -8.751 -27.073 5.817 1.00 0.00 C ATOM 326 CG ASN A 21 -8.156 -26.454 7.079 1.00 0.00 C ATOM 327 OD1 ASN A 21 -8.856 -26.235 8.057 1.00 0.00 O ATOM 328 ND2 ASN A 21 -6.895 -26.156 7.111 1.00 0.00 N ATOM 0 H ASN A 21 -11.128 -25.953 4.056 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.453 -25.083 5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.631 -27.664 6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.032 -27.753 5.361 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.490 -25.740 7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.307 -26.337 6.297 1.00 0.00 H new ATOM 335 N MET A 22 -8.145 -24.967 2.826 1.00 0.00 N ATOM 336 CA MET A 22 -7.016 -24.587 1.920 1.00 0.00 C ATOM 337 C MET A 22 -6.677 -23.094 2.071 1.00 0.00 C ATOM 338 O MET A 22 -7.559 -22.245 2.210 1.00 0.00 O ATOM 339 CB MET A 22 -7.426 -24.881 0.474 1.00 0.00 C ATOM 340 CG MET A 22 -7.338 -26.387 0.217 1.00 0.00 C ATOM 341 SD MET A 22 -8.012 -26.759 -1.421 1.00 0.00 S ATOM 342 CE MET A 22 -6.436 -27.131 -2.228 1.00 0.00 C ATOM 0 H MET A 22 -9.072 -24.700 2.494 1.00 0.00 H new ATOM 0 HA MET A 22 -6.131 -25.166 2.186 1.00 0.00 H new ATOM 0 HB2 MET A 22 -8.442 -24.529 0.294 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.775 -24.344 -0.216 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.301 -26.717 0.279 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.892 -26.930 0.982 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.622 -27.512 -3.232 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.836 -26.223 -2.290 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.899 -27.882 -1.649 1.00 0.00 H new ATOM 352 N THR A 23 -5.412 -22.758 2.035 1.00 0.00 N ATOM 353 CA THR A 23 -4.995 -21.323 2.166 1.00 0.00 C ATOM 354 C THR A 23 -5.256 -20.588 0.849 1.00 0.00 C ATOM 355 O THR A 23 -4.697 -20.935 -0.189 1.00 0.00 O ATOM 356 CB THR A 23 -3.498 -21.251 2.488 1.00 0.00 C ATOM 357 OG1 THR A 23 -2.871 -22.469 2.101 1.00 0.00 O ATOM 358 CG2 THR A 23 -3.304 -21.044 3.988 1.00 0.00 C ATOM 0 H THR A 23 -4.643 -23.419 1.920 1.00 0.00 H new ATOM 0 HA THR A 23 -5.568 -20.857 2.967 1.00 0.00 H new ATOM 0 HB THR A 23 -3.054 -20.418 1.944 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.914 -22.423 2.305 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.239 -20.993 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.784 -20.114 4.292 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.751 -21.877 4.531 1.00 0.00 H new ATOM 366 N VAL A 24 -6.093 -19.583 0.871 1.00 0.00 N ATOM 367 CA VAL A 24 -6.398 -18.819 -0.382 1.00 0.00 C ATOM 368 C VAL A 24 -5.696 -17.452 -0.338 1.00 0.00 C ATOM 369 O VAL A 24 -6.029 -16.586 0.475 1.00 0.00 O ATOM 370 CB VAL A 24 -7.917 -18.618 -0.495 1.00 0.00 C ATOM 371 CG1 VAL A 24 -8.247 -17.849 -1.773 1.00 0.00 C ATOM 372 CG2 VAL A 24 -8.610 -19.980 -0.546 1.00 0.00 C ATOM 0 H VAL A 24 -6.581 -19.255 1.704 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.039 -19.377 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.264 -18.055 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.326 -17.710 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.757 -16.876 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.894 -18.411 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.688 -19.837 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.253 -20.538 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.385 -20.537 0.363 1.00 0.00 H new ATOM 382 N HIS A 25 -4.724 -17.240 -1.189 1.00 0.00 N ATOM 383 CA HIS A 25 -3.997 -15.929 -1.186 1.00 0.00 C ATOM 384 C HIS A 25 -3.965 -15.338 -2.607 1.00 0.00 C ATOM 385 O HIS A 25 -3.670 -16.030 -3.580 1.00 0.00 O ATOM 386 CB HIS A 25 -2.567 -16.143 -0.672 1.00 0.00 C ATOM 387 CG HIS A 25 -2.603 -16.871 0.648 1.00 0.00 C ATOM 388 ND1 HIS A 25 -3.608 -16.664 1.580 1.00 0.00 N ATOM 389 CD2 HIS A 25 -1.762 -17.800 1.206 1.00 0.00 C ATOM 390 CE1 HIS A 25 -3.347 -17.449 2.641 1.00 0.00 C ATOM 391 NE2 HIS A 25 -2.233 -18.164 2.464 1.00 0.00 N ATOM 0 H HIS A 25 -4.402 -17.913 -1.884 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.516 -15.230 -0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.991 -16.717 -1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.065 -15.182 -0.555 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.402 -16.031 1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.869 -18.190 0.740 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.963 -17.495 3.527 1.00 0.00 H new ATOM 399 N PHE A 26 -4.269 -14.071 -2.742 1.00 0.00 N ATOM 400 CA PHE A 26 -4.267 -13.426 -4.097 1.00 0.00 C ATOM 401 C PHE A 26 -3.270 -12.254 -4.121 1.00 0.00 C ATOM 402 O PHE A 26 -3.160 -11.491 -3.159 1.00 0.00 O ATOM 403 CB PHE A 26 -5.674 -12.894 -4.399 1.00 0.00 C ATOM 404 CG PHE A 26 -6.521 -13.981 -5.020 1.00 0.00 C ATOM 405 CD1 PHE A 26 -6.867 -15.117 -4.278 1.00 0.00 C ATOM 406 CD2 PHE A 26 -6.969 -13.847 -6.339 1.00 0.00 C ATOM 407 CE1 PHE A 26 -7.660 -16.116 -4.854 1.00 0.00 C ATOM 408 CE2 PHE A 26 -7.762 -14.846 -6.916 1.00 0.00 C ATOM 409 CZ PHE A 26 -8.107 -15.981 -6.173 1.00 0.00 C ATOM 0 H PHE A 26 -4.520 -13.452 -1.971 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.974 -14.162 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.141 -12.539 -3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.611 -12.041 -5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.522 -15.222 -3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.703 -12.972 -6.913 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.927 -16.991 -4.280 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.107 -14.741 -7.934 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.718 -16.752 -6.618 1.00 0.00 H new ATOM 419 N LYS A 27 -2.547 -12.086 -5.200 1.00 0.00 N ATOM 420 CA LYS A 27 -1.567 -10.955 -5.281 1.00 0.00 C ATOM 421 C LYS A 27 -1.260 -10.627 -6.752 1.00 0.00 C ATOM 422 O LYS A 27 -1.562 -11.403 -7.654 1.00 0.00 O ATOM 423 CB LYS A 27 -0.275 -11.359 -4.561 1.00 0.00 C ATOM 424 CG LYS A 27 0.490 -10.104 -4.128 1.00 0.00 C ATOM 425 CD LYS A 27 1.150 -10.354 -2.769 1.00 0.00 C ATOM 426 CE LYS A 27 1.646 -9.030 -2.186 1.00 0.00 C ATOM 427 NZ LYS A 27 0.603 -8.477 -1.269 1.00 0.00 N ATOM 0 H LYS A 27 -2.591 -12.681 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.993 -10.071 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.509 -11.972 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.346 -11.965 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.246 -9.851 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.190 -9.254 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.437 -10.818 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.983 -11.048 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.579 -9.184 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.856 -8.322 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.935 -7.576 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.277 -8.317 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.424 -9.153 -0.499 1.00 0.00 H new ATOM 441 N VAL A 28 -0.662 -9.495 -7.013 1.00 0.00 N ATOM 442 CA VAL A 28 -0.335 -9.130 -8.428 1.00 0.00 C ATOM 443 C VAL A 28 1.164 -9.356 -8.682 1.00 0.00 C ATOM 444 O VAL A 28 1.979 -9.328 -7.759 1.00 0.00 O ATOM 445 CB VAL A 28 -0.690 -7.658 -8.686 1.00 0.00 C ATOM 446 CG1 VAL A 28 -0.693 -7.388 -10.190 1.00 0.00 C ATOM 447 CG2 VAL A 28 -2.084 -7.351 -8.132 1.00 0.00 C ATOM 0 H VAL A 28 -0.385 -8.807 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.916 -9.757 -9.104 1.00 0.00 H new ATOM 0 HB VAL A 28 0.049 -7.027 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.945 -6.343 -10.372 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.295 -7.599 -10.600 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.431 -8.028 -10.673 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.328 -6.305 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.819 -7.988 -8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.099 -7.540 -7.059 1.00 0.00 H new ATOM 457 N LEU A 29 1.540 -9.595 -9.910 1.00 0.00 N ATOM 458 CA LEU A 29 2.988 -9.835 -10.224 1.00 0.00 C ATOM 459 C LEU A 29 3.580 -8.604 -10.920 1.00 0.00 C ATOM 460 O LEU A 29 4.726 -8.224 -10.683 1.00 0.00 O ATOM 461 CB LEU A 29 3.132 -11.057 -11.148 1.00 0.00 C ATOM 462 CG LEU A 29 2.037 -12.084 -10.853 1.00 0.00 C ATOM 463 CD1 LEU A 29 2.081 -13.184 -11.909 1.00 0.00 C ATOM 464 CD2 LEU A 29 2.270 -12.702 -9.474 1.00 0.00 C ATOM 0 H LEU A 29 0.911 -9.635 -10.712 1.00 0.00 H new ATOM 0 HA LEU A 29 3.522 -10.021 -9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.072 -10.742 -12.190 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.113 -11.512 -11.009 1.00 0.00 H new ATOM 0 HG LEU A 29 1.065 -11.592 -10.871 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.302 -13.918 -11.702 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.917 -12.749 -12.895 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.055 -13.672 -11.885 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.489 -13.433 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.242 -13.195 -9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.245 -11.919 -8.716 1.00 0.00 H new ATOM 476 N ARG A 30 2.824 -7.981 -11.782 1.00 0.00 N ATOM 477 CA ARG A 30 3.339 -6.776 -12.502 1.00 0.00 C ATOM 478 C ARG A 30 2.217 -5.741 -12.664 1.00 0.00 C ATOM 479 O ARG A 30 1.210 -5.989 -13.330 1.00 0.00 O ATOM 480 CB ARG A 30 3.862 -7.194 -13.881 1.00 0.00 C ATOM 481 CG ARG A 30 5.380 -7.401 -13.816 1.00 0.00 C ATOM 482 CD ARG A 30 5.999 -7.024 -15.163 1.00 0.00 C ATOM 483 NE ARG A 30 6.247 -5.546 -15.203 1.00 0.00 N ATOM 484 CZ ARG A 30 7.154 -5.003 -14.458 1.00 0.00 C ATOM 485 NH1 ARG A 30 8.305 -5.569 -14.320 1.00 0.00 N ATOM 486 NH2 ARG A 30 6.915 -3.880 -13.876 1.00 0.00 N ATOM 0 H ARG A 30 1.870 -8.253 -12.021 1.00 0.00 H new ATOM 0 HA ARG A 30 4.149 -6.330 -11.925 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.373 -8.114 -14.203 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.621 -6.429 -14.619 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.808 -6.790 -13.022 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.607 -8.440 -13.576 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.934 -7.565 -15.310 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.333 -7.314 -15.975 1.00 0.00 H new ATOM 0 HE ARG A 30 5.692 -4.960 -15.827 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.502 -6.448 -14.799 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.018 -5.138 -13.732 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.013 -3.422 -14.003 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.628 -3.449 -13.288 1.00 0.00 H new ATOM 631 N PHE A 40 -3.183 -6.094 -15.725 1.00 0.00 N ATOM 632 CA PHE A 40 -2.696 -6.450 -14.358 1.00 0.00 C ATOM 633 C PHE A 40 -2.611 -7.972 -14.199 1.00 0.00 C ATOM 634 O PHE A 40 -3.618 -8.658 -14.007 1.00 0.00 O ATOM 635 CB PHE A 40 -3.656 -5.868 -13.315 1.00 0.00 C ATOM 636 CG PHE A 40 -3.635 -4.360 -13.401 1.00 0.00 C ATOM 637 CD1 PHE A 40 -2.670 -3.633 -12.696 1.00 0.00 C ATOM 638 CD2 PHE A 40 -4.579 -3.691 -14.187 1.00 0.00 C ATOM 639 CE1 PHE A 40 -2.648 -2.237 -12.777 1.00 0.00 C ATOM 640 CE2 PHE A 40 -4.558 -2.293 -14.268 1.00 0.00 C ATOM 641 CZ PHE A 40 -3.592 -1.566 -13.562 1.00 0.00 C ATOM 0 HA PHE A 40 -1.699 -6.033 -14.213 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.666 -6.239 -13.487 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.364 -6.191 -12.316 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.942 -4.150 -12.089 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.324 -4.252 -14.731 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.902 -1.677 -12.233 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.287 -1.776 -14.875 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.576 -0.488 -13.623 1.00 0.00 H new ATOM 651 N ILE A 41 -1.424 -8.515 -14.261 1.00 0.00 N ATOM 652 CA ILE A 41 -1.267 -9.992 -14.099 1.00 0.00 C ATOM 653 C ILE A 41 -1.437 -10.343 -12.616 1.00 0.00 C ATOM 654 O ILE A 41 -0.527 -10.165 -11.803 1.00 0.00 O ATOM 655 CB ILE A 41 0.121 -10.428 -14.587 1.00 0.00 C ATOM 656 CG1 ILE A 41 0.372 -9.882 -15.999 1.00 0.00 C ATOM 657 CG2 ILE A 41 0.195 -11.955 -14.620 1.00 0.00 C ATOM 658 CD1 ILE A 41 -0.724 -10.374 -16.951 1.00 0.00 C ATOM 0 H ILE A 41 -0.557 -8.001 -14.417 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.020 -10.512 -14.691 1.00 0.00 H new ATOM 0 HB ILE A 41 0.877 -10.037 -13.906 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.387 -8.792 -15.980 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.349 -10.208 -16.356 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.181 -12.264 -14.967 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.022 -12.349 -13.619 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.566 -12.342 -15.298 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.540 -9.983 -17.951 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.718 -11.464 -16.981 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.695 -10.026 -16.599 1.00 0.00 H new ATOM 670 N THR A 42 -2.593 -10.821 -12.244 1.00 0.00 N ATOM 671 CA THR A 42 -2.836 -11.168 -10.807 1.00 0.00 C ATOM 672 C THR A 42 -2.665 -12.674 -10.596 1.00 0.00 C ATOM 673 O THR A 42 -3.273 -13.486 -11.288 1.00 0.00 O ATOM 674 CB THR A 42 -4.261 -10.754 -10.411 1.00 0.00 C ATOM 675 OG1 THR A 42 -4.390 -9.335 -10.477 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.560 -11.211 -8.984 1.00 0.00 C ATOM 0 H THR A 42 -3.381 -10.988 -12.869 1.00 0.00 H new ATOM 0 HA THR A 42 -2.115 -10.636 -10.186 1.00 0.00 H new ATOM 0 HB THR A 42 -4.964 -11.221 -11.101 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.301 -9.077 -10.225 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.572 -10.913 -8.711 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.472 -12.296 -8.923 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.849 -10.750 -8.298 1.00 0.00 H new ATOM 684 N ALA A 43 -1.861 -13.059 -9.643 1.00 0.00 N ATOM 685 CA ALA A 43 -1.652 -14.510 -9.366 1.00 0.00 C ATOM 686 C ALA A 43 -2.329 -14.882 -8.039 1.00 0.00 C ATOM 687 O ALA A 43 -2.449 -14.063 -7.124 1.00 0.00 O ATOM 688 CB ALA A 43 -0.151 -14.803 -9.284 1.00 0.00 C ATOM 0 H ALA A 43 -1.336 -12.426 -9.040 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.090 -15.102 -10.170 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.002 -15.863 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.323 -14.542 -10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.292 -14.213 -8.482 1.00 0.00 H new ATOM 694 N CYS A 44 -2.777 -16.099 -7.918 1.00 0.00 N ATOM 695 CA CYS A 44 -3.448 -16.532 -6.659 1.00 0.00 C ATOM 696 C CYS A 44 -2.973 -17.936 -6.266 1.00 0.00 C ATOM 697 O CYS A 44 -2.541 -18.730 -7.106 1.00 0.00 O ATOM 698 CB CYS A 44 -4.965 -16.538 -6.873 1.00 0.00 C ATOM 699 SG CYS A 44 -5.396 -17.713 -8.183 1.00 0.00 S ATOM 0 H CYS A 44 -2.708 -16.817 -8.639 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.194 -15.839 -5.857 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.471 -16.810 -5.947 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.308 -15.539 -7.141 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.439 -17.754 -9.061 1.00 0.00 H new ATOM 705 N ILE A 45 -3.053 -18.255 -5.003 1.00 0.00 N ATOM 706 CA ILE A 45 -2.625 -19.605 -4.529 1.00 0.00 C ATOM 707 C ILE A 45 -3.703 -20.177 -3.595 1.00 0.00 C ATOM 708 O ILE A 45 -4.204 -19.490 -2.701 1.00 0.00 O ATOM 709 CB ILE A 45 -1.278 -19.496 -3.791 1.00 0.00 C ATOM 710 CG1 ILE A 45 -0.628 -20.880 -3.716 1.00 0.00 C ATOM 711 CG2 ILE A 45 -1.489 -18.965 -2.370 1.00 0.00 C ATOM 712 CD1 ILE A 45 0.817 -20.745 -3.235 1.00 0.00 C ATOM 0 H ILE A 45 -3.399 -17.634 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.500 -20.272 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.633 -18.807 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.190 -21.520 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.652 -21.357 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.527 -18.894 -1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.950 -17.978 -2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.140 -19.645 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.277 -21.732 -3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.376 -20.121 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.830 -20.286 -2.247 1.00 0.00 H new ATOM 724 N VAL A 46 -4.073 -21.413 -3.785 1.00 0.00 N ATOM 725 CA VAL A 46 -5.116 -22.030 -2.913 1.00 0.00 C ATOM 726 C VAL A 46 -4.620 -23.391 -2.413 1.00 0.00 C ATOM 727 O VAL A 46 -4.633 -24.386 -3.137 1.00 0.00 O ATOM 728 CB VAL A 46 -6.421 -22.198 -3.701 1.00 0.00 C ATOM 729 CG1 VAL A 46 -7.444 -22.969 -2.861 1.00 0.00 C ATOM 730 CG2 VAL A 46 -6.993 -20.820 -4.025 1.00 0.00 C ATOM 0 H VAL A 46 -3.698 -22.026 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.306 -21.382 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.214 -22.748 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.368 -23.084 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.045 -23.953 -2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.648 -22.420 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.921 -20.934 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.192 -20.282 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.275 -20.259 -4.623 1.00 0.00 H new ATOM 740 N GLY A 47 -4.174 -23.448 -1.185 1.00 0.00 N ATOM 741 CA GLY A 47 -3.667 -24.738 -0.616 1.00 0.00 C ATOM 742 C GLY A 47 -2.548 -25.309 -1.496 1.00 0.00 C ATOM 743 O GLY A 47 -2.650 -26.424 -1.995 1.00 0.00 O ATOM 0 H GLY A 47 -4.138 -22.653 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.295 -24.575 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.484 -25.456 -0.544 1.00 0.00 H new ATOM 747 N SER A 48 -1.482 -24.566 -1.684 1.00 0.00 N ATOM 748 CA SER A 48 -0.325 -25.051 -2.525 1.00 0.00 C ATOM 749 C SER A 48 -0.588 -24.848 -4.028 1.00 0.00 C ATOM 750 O SER A 48 0.341 -24.616 -4.798 1.00 0.00 O ATOM 751 CB SER A 48 -0.058 -26.537 -2.258 1.00 0.00 C ATOM 752 OG SER A 48 1.314 -26.815 -2.514 1.00 0.00 O ATOM 0 H SER A 48 -1.358 -23.634 -1.289 1.00 0.00 H new ATOM 0 HA SER A 48 0.547 -24.461 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.306 -26.784 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.692 -27.154 -2.895 1.00 0.00 H new ATOM 0 HG SER A 48 1.493 -27.763 -2.344 1.00 0.00 H new ATOM 758 N ILE A 49 -1.816 -24.936 -4.472 1.00 0.00 N ATOM 759 CA ILE A 49 -2.100 -24.751 -5.933 1.00 0.00 C ATOM 760 C ILE A 49 -1.923 -23.275 -6.315 1.00 0.00 C ATOM 761 O ILE A 49 -2.385 -22.380 -5.614 1.00 0.00 O ATOM 762 CB ILE A 49 -3.537 -25.195 -6.230 1.00 0.00 C ATOM 763 CG1 ILE A 49 -3.667 -26.697 -5.972 1.00 0.00 C ATOM 764 CG2 ILE A 49 -3.882 -24.907 -7.693 1.00 0.00 C ATOM 765 CD1 ILE A 49 -4.988 -26.978 -5.260 1.00 0.00 C ATOM 0 H ILE A 49 -2.633 -25.127 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.405 -25.354 -6.517 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.221 -24.645 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.626 -27.244 -6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.832 -27.046 -5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.905 -25.226 -7.895 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.790 -23.838 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.197 -25.452 -8.342 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.082 -28.048 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.011 -26.443 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.816 -26.644 -5.885 1.00 0.00 H new ATOM 777 N VAL A 50 -1.265 -23.005 -7.413 1.00 0.00 N ATOM 778 CA VAL A 50 -1.062 -21.582 -7.837 1.00 0.00 C ATOM 779 C VAL A 50 -1.644 -21.365 -9.242 1.00 0.00 C ATOM 780 O VAL A 50 -1.675 -22.275 -10.071 1.00 0.00 O ATOM 781 CB VAL A 50 0.437 -21.242 -7.861 1.00 0.00 C ATOM 782 CG1 VAL A 50 0.618 -19.744 -7.629 1.00 0.00 C ATOM 783 CG2 VAL A 50 1.179 -22.002 -6.758 1.00 0.00 C ATOM 0 H VAL A 50 -0.859 -23.705 -8.035 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.570 -20.934 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 50 0.843 -21.530 -8.831 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.680 -19.499 -7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.106 -19.190 -8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.198 -19.472 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.239 -21.748 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.770 -21.725 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.058 -23.074 -6.910 1.00 0.00 H new ATOM 793 N THR A 51 -2.097 -20.172 -9.525 1.00 0.00 N ATOM 794 CA THR A 51 -2.671 -19.873 -10.882 1.00 0.00 C ATOM 795 C THR A 51 -2.666 -18.358 -11.113 1.00 0.00 C ATOM 796 O THR A 51 -2.816 -17.570 -10.180 1.00 0.00 O ATOM 797 CB THR A 51 -4.107 -20.405 -10.980 1.00 0.00 C ATOM 798 OG1 THR A 51 -4.187 -21.677 -10.355 1.00 0.00 O ATOM 799 CG2 THR A 51 -4.503 -20.550 -12.449 1.00 0.00 C ATOM 0 H THR A 51 -2.097 -19.385 -8.876 1.00 0.00 H new ATOM 0 HA THR A 51 -2.062 -20.363 -11.642 1.00 0.00 H new ATOM 0 HB THR A 51 -4.780 -19.706 -10.484 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.352 -22.168 -10.504 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.523 -20.928 -12.515 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.443 -19.578 -12.939 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.825 -21.247 -12.941 1.00 0.00 H new ATOM 807 N GLU A 52 -2.480 -17.933 -12.329 1.00 0.00 N ATOM 808 CA GLU A 52 -2.442 -16.466 -12.623 1.00 0.00 C ATOM 809 C GLU A 52 -3.697 -16.030 -13.397 1.00 0.00 C ATOM 810 O GLU A 52 -4.431 -16.845 -13.958 1.00 0.00 O ATOM 811 CB GLU A 52 -1.179 -16.141 -13.439 1.00 0.00 C ATOM 812 CG GLU A 52 -1.154 -16.955 -14.748 1.00 0.00 C ATOM 813 CD GLU A 52 -0.654 -18.378 -14.483 1.00 0.00 C ATOM 814 OE1 GLU A 52 0.529 -18.542 -14.274 1.00 0.00 O ATOM 815 OE2 GLU A 52 -1.476 -19.280 -14.476 1.00 0.00 O ATOM 0 H GLU A 52 -2.351 -18.538 -13.140 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.419 -15.920 -11.680 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.151 -15.075 -13.667 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.290 -16.364 -12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.153 -16.989 -15.182 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.507 -16.465 -15.476 1.00 0.00 H new ATOM 822 N GLY A 53 -3.961 -14.749 -13.425 1.00 0.00 N ATOM 823 CA GLY A 53 -5.165 -14.236 -14.147 1.00 0.00 C ATOM 824 C GLY A 53 -4.798 -12.999 -14.969 1.00 0.00 C ATOM 825 O GLY A 53 -4.569 -11.915 -14.429 1.00 0.00 O ATOM 0 H GLY A 53 -3.391 -14.032 -12.976 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.564 -15.011 -14.801 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.949 -13.987 -13.432 1.00 0.00 H new ATOM 829 N GLU A 54 -4.737 -13.151 -16.259 1.00 0.00 N ATOM 830 CA GLU A 54 -4.388 -12.014 -17.166 1.00 0.00 C ATOM 831 C GLU A 54 -5.549 -10.991 -17.216 1.00 0.00 C ATOM 832 O GLU A 54 -6.229 -10.827 -18.229 1.00 0.00 O ATOM 833 CB GLU A 54 -4.128 -12.609 -18.555 1.00 0.00 C ATOM 834 CG GLU A 54 -5.437 -13.205 -19.123 1.00 0.00 C ATOM 835 CD GLU A 54 -5.478 -14.729 -18.973 1.00 0.00 C ATOM 836 OE1 GLU A 54 -4.867 -15.254 -18.065 1.00 0.00 O ATOM 837 OE2 GLU A 54 -6.162 -15.358 -19.761 1.00 0.00 O ATOM 0 H GLU A 54 -4.918 -14.033 -16.738 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.505 -11.485 -16.806 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.748 -11.838 -19.225 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.363 -13.383 -18.492 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.291 -12.766 -18.607 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.530 -12.940 -20.176 1.00 0.00 H new ATOM 844 N GLY A 55 -5.811 -10.311 -16.133 1.00 0.00 N ATOM 845 CA GLY A 55 -6.946 -9.330 -16.124 1.00 0.00 C ATOM 846 C GLY A 55 -6.545 -7.972 -16.720 1.00 0.00 C ATOM 847 O GLY A 55 -5.559 -7.353 -16.319 1.00 0.00 O ATOM 0 H GLY A 55 -5.295 -10.388 -15.257 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.783 -9.740 -16.690 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.292 -9.187 -15.100 1.00 0.00 H new ATOM 943 N LYS A 62 -8.304 -10.092 -10.613 1.00 0.00 N ATOM 944 CA LYS A 62 -8.683 -10.955 -9.446 1.00 0.00 C ATOM 945 C LYS A 62 -9.810 -11.920 -9.850 1.00 0.00 C ATOM 946 O LYS A 62 -9.806 -13.092 -9.469 1.00 0.00 O ATOM 947 CB LYS A 62 -9.153 -10.072 -8.282 1.00 0.00 C ATOM 948 CG LYS A 62 -7.950 -9.389 -7.620 1.00 0.00 C ATOM 949 CD LYS A 62 -8.451 -8.360 -6.599 1.00 0.00 C ATOM 950 CE LYS A 62 -7.269 -7.762 -5.830 1.00 0.00 C ATOM 951 NZ LYS A 62 -7.544 -6.326 -5.543 1.00 0.00 N ATOM 0 HA LYS A 62 -7.813 -11.533 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.853 -9.320 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.687 -10.677 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.321 -10.131 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.334 -8.900 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.001 -7.569 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.145 -8.834 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.113 -8.307 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.354 -7.859 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.743 -5.917 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.673 -5.812 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.408 -6.246 -4.970 1.00 0.00 H new ATOM 965 N LYS A 63 -10.763 -11.461 -10.623 1.00 0.00 N ATOM 966 CA LYS A 63 -11.869 -12.363 -11.060 1.00 0.00 C ATOM 967 C LYS A 63 -11.317 -13.370 -12.085 1.00 0.00 C ATOM 968 O LYS A 63 -11.289 -14.567 -11.832 1.00 0.00 O ATOM 969 CB LYS A 63 -13.003 -11.532 -11.688 1.00 0.00 C ATOM 970 CG LYS A 63 -14.253 -11.591 -10.797 1.00 0.00 C ATOM 971 CD LYS A 63 -14.955 -12.945 -10.964 1.00 0.00 C ATOM 972 CE LYS A 63 -16.255 -12.953 -10.148 1.00 0.00 C ATOM 973 NZ LYS A 63 -16.885 -14.303 -10.213 1.00 0.00 N ATOM 0 H LYS A 63 -10.822 -10.503 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.268 -12.902 -10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.682 -10.498 -11.810 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.237 -11.913 -12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.973 -11.444 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.936 -10.783 -11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.173 -13.126 -12.017 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.299 -13.750 -10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.046 -12.689 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.943 -12.202 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.745 -14.257 -10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.216 -14.978 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.134 -14.616 -9.253 1.00 0.00 H new ATOM 987 N ARG A 64 -10.861 -12.905 -13.225 1.00 0.00 N ATOM 988 CA ARG A 64 -10.307 -13.839 -14.268 1.00 0.00 C ATOM 989 C ARG A 64 -9.296 -14.827 -13.651 1.00 0.00 C ATOM 990 O ARG A 64 -9.259 -16.002 -14.020 1.00 0.00 O ATOM 991 CB ARG A 64 -9.620 -13.021 -15.370 1.00 0.00 C ATOM 992 CG ARG A 64 -9.816 -13.722 -16.721 1.00 0.00 C ATOM 993 CD ARG A 64 -8.902 -13.087 -17.775 1.00 0.00 C ATOM 994 NE ARG A 64 -8.804 -13.996 -18.960 1.00 0.00 N ATOM 995 CZ ARG A 64 -8.979 -13.534 -20.152 1.00 0.00 C ATOM 996 NH1 ARG A 64 -10.138 -13.101 -20.507 1.00 0.00 N ATOM 997 NH2 ARG A 64 -8.001 -13.526 -20.987 1.00 0.00 N ATOM 0 H ARG A 64 -10.847 -11.918 -13.482 1.00 0.00 H new ATOM 0 HA ARG A 64 -11.132 -14.414 -14.688 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.038 -12.015 -15.406 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.557 -12.917 -15.152 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.592 -14.784 -16.625 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.857 -13.643 -17.034 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.297 -12.117 -18.078 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.912 -12.911 -17.355 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.598 -14.986 -18.825 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.915 -13.124 -19.847 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.279 -12.735 -21.449 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.088 -13.885 -20.707 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.138 -13.161 -21.930 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.481 -14.383 -12.727 1.00 0.00 N ATOM 1012 CA ALA A 65 -7.487 -15.306 -12.094 1.00 0.00 C ATOM 1013 C ALA A 65 -8.225 -16.357 -11.243 1.00 0.00 C ATOM 1014 O ALA A 65 -7.958 -17.558 -11.331 1.00 0.00 O ATOM 1015 CB ALA A 65 -6.543 -14.494 -11.199 1.00 0.00 C ATOM 0 H ALA A 65 -8.460 -13.423 -12.383 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.913 -15.811 -12.871 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.817 -15.162 -10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.020 -13.751 -11.801 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.120 -13.991 -10.423 1.00 0.00 H new ATOM 1021 N ALA A 66 -9.150 -15.921 -10.425 1.00 0.00 N ATOM 1022 CA ALA A 66 -9.919 -16.868 -9.560 1.00 0.00 C ATOM 1023 C ALA A 66 -10.808 -17.783 -10.416 1.00 0.00 C ATOM 1024 O ALA A 66 -10.836 -18.994 -10.213 1.00 0.00 O ATOM 1025 CB ALA A 66 -10.794 -16.061 -8.598 1.00 0.00 C ATOM 0 H ALA A 66 -9.408 -14.940 -10.319 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.219 -17.490 -9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.360 -16.742 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.162 -15.426 -7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.484 -15.440 -9.168 1.00 0.00 H new ATOM 1031 N GLU A 67 -11.527 -17.237 -11.364 1.00 0.00 N ATOM 1032 CA GLU A 67 -12.410 -18.092 -12.227 1.00 0.00 C ATOM 1033 C GLU A 67 -11.583 -19.221 -12.840 1.00 0.00 C ATOM 1034 O GLU A 67 -12.013 -20.374 -12.895 1.00 0.00 O ATOM 1035 CB GLU A 67 -13.035 -17.260 -13.354 1.00 0.00 C ATOM 1036 CG GLU A 67 -13.597 -15.957 -12.785 1.00 0.00 C ATOM 1037 CD GLU A 67 -14.993 -16.206 -12.242 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -15.778 -16.853 -12.903 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -15.250 -15.751 -11.158 1.00 0.00 O ATOM 0 H GLU A 67 -11.544 -16.240 -11.580 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.207 -18.503 -11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.286 -17.042 -14.116 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.829 -17.827 -13.840 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.948 -15.583 -11.993 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.627 -15.192 -13.560 1.00 0.00 H new ATOM 1046 N LYS A 68 -10.393 -18.911 -13.286 1.00 0.00 N ATOM 1047 CA LYS A 68 -9.511 -19.960 -13.885 1.00 0.00 C ATOM 1048 C LYS A 68 -9.182 -21.018 -12.820 1.00 0.00 C ATOM 1049 O LYS A 68 -9.463 -22.202 -12.990 1.00 0.00 O ATOM 1050 CB LYS A 68 -8.206 -19.315 -14.381 1.00 0.00 C ATOM 1051 CG LYS A 68 -8.279 -19.062 -15.893 1.00 0.00 C ATOM 1052 CD LYS A 68 -6.854 -18.948 -16.458 1.00 0.00 C ATOM 1053 CE LYS A 68 -6.624 -17.545 -17.027 1.00 0.00 C ATOM 1054 NZ LYS A 68 -6.098 -17.656 -18.417 1.00 0.00 N ATOM 0 H LYS A 68 -9.992 -17.974 -13.261 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.025 -20.430 -14.723 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.034 -18.375 -13.856 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.361 -19.966 -14.154 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.813 -19.875 -16.384 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.837 -18.147 -16.094 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.126 -19.155 -15.674 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.703 -19.694 -17.238 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.557 -16.981 -17.023 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.918 -16.998 -16.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.575 -16.961 -19.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.075 -17.471 -18.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.277 -18.614 -18.780 1.00 0.00 H new ATOM 1068 N MET A 69 -8.596 -20.610 -11.723 1.00 0.00 N ATOM 1069 CA MET A 69 -8.245 -21.587 -10.645 1.00 0.00 C ATOM 1070 C MET A 69 -9.501 -22.323 -10.147 1.00 0.00 C ATOM 1071 O MET A 69 -9.466 -23.520 -9.875 1.00 0.00 O ATOM 1072 CB MET A 69 -7.595 -20.836 -9.479 1.00 0.00 C ATOM 1073 CG MET A 69 -6.759 -21.811 -8.651 1.00 0.00 C ATOM 1074 SD MET A 69 -6.383 -21.059 -7.052 1.00 0.00 S ATOM 1075 CE MET A 69 -4.595 -20.932 -7.285 1.00 0.00 C ATOM 0 H MET A 69 -8.345 -19.641 -11.526 1.00 0.00 H new ATOM 0 HA MET A 69 -7.551 -22.324 -11.049 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.966 -20.030 -9.857 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.362 -20.376 -8.855 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.302 -22.745 -8.509 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.836 -22.056 -9.177 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.152 -20.420 -6.431 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.167 -21.931 -7.371 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.386 -20.368 -8.194 1.00 0.00 H new ATOM 1085 N LEU A 70 -10.601 -21.633 -10.004 1.00 0.00 N ATOM 1086 CA LEU A 70 -11.851 -22.289 -9.509 1.00 0.00 C ATOM 1087 C LEU A 70 -12.349 -23.333 -10.519 1.00 0.00 C ATOM 1088 O LEU A 70 -12.544 -24.501 -10.173 1.00 0.00 O ATOM 1089 CB LEU A 70 -12.926 -21.214 -9.297 1.00 0.00 C ATOM 1090 CG LEU A 70 -12.778 -20.560 -7.913 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -13.638 -21.305 -6.900 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -11.324 -20.602 -7.440 1.00 0.00 C ATOM 0 H LEU A 70 -10.690 -20.638 -10.209 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.642 -22.797 -8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.845 -20.454 -10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.916 -21.660 -9.390 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.098 -19.521 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.531 -20.840 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.682 -21.264 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.316 -22.345 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.247 -20.133 -6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.993 -21.638 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.695 -20.064 -8.150 1.00 0.00 H new ATOM 1104 N VAL A 71 -12.562 -22.947 -11.754 1.00 0.00 N ATOM 1105 CA VAL A 71 -13.052 -23.933 -12.773 1.00 0.00 C ATOM 1106 C VAL A 71 -12.078 -25.121 -12.866 1.00 0.00 C ATOM 1107 O VAL A 71 -12.485 -26.259 -13.109 1.00 0.00 O ATOM 1108 CB VAL A 71 -13.199 -23.245 -14.142 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -11.828 -22.884 -14.716 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -13.912 -24.188 -15.112 1.00 0.00 C ATOM 0 H VAL A 71 -12.419 -21.998 -12.101 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.028 -24.309 -12.467 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.779 -22.332 -14.009 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.955 -22.399 -15.684 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.315 -22.205 -14.034 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.235 -23.790 -14.840 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.017 -23.701 -16.082 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.329 -25.102 -15.226 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.899 -24.434 -14.721 1.00 0.00 H new ATOM 1120 N GLU A 72 -10.804 -24.894 -12.665 1.00 0.00 N ATOM 1121 CA GLU A 72 -9.834 -26.025 -12.729 1.00 0.00 C ATOM 1122 C GLU A 72 -9.877 -26.814 -11.412 1.00 0.00 C ATOM 1123 O GLU A 72 -9.962 -28.036 -11.415 1.00 0.00 O ATOM 1124 CB GLU A 72 -8.423 -25.485 -12.984 1.00 0.00 C ATOM 1125 CG GLU A 72 -7.924 -26.021 -14.332 1.00 0.00 C ATOM 1126 CD GLU A 72 -6.677 -25.258 -14.787 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -6.703 -24.038 -14.770 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -5.721 -25.914 -15.157 1.00 0.00 O ATOM 0 H GLU A 72 -10.398 -23.981 -12.461 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.105 -26.691 -13.548 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.432 -24.395 -12.991 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.751 -25.793 -12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.695 -27.083 -14.245 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.710 -25.924 -15.081 1.00 0.00 H new ATOM 1135 N LEU A 73 -9.839 -26.142 -10.290 1.00 0.00 N ATOM 1136 CA LEU A 73 -9.891 -26.855 -8.972 1.00 0.00 C ATOM 1137 C LEU A 73 -11.189 -27.675 -8.859 1.00 0.00 C ATOM 1138 O LEU A 73 -11.200 -28.769 -8.299 1.00 0.00 O ATOM 1139 CB LEU A 73 -9.841 -25.828 -7.835 1.00 0.00 C ATOM 1140 CG LEU A 73 -8.428 -25.253 -7.712 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -8.397 -24.212 -6.597 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -7.445 -26.372 -7.375 1.00 0.00 C ATOM 0 H LEU A 73 -9.774 -25.126 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.037 -27.529 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.554 -25.026 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.135 -26.298 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.147 -24.790 -8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.391 -23.803 -6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.097 -23.409 -6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.682 -24.680 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.440 -25.959 -7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.730 -26.835 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.462 -27.122 -8.166 1.00 0.00 H new ATOM 1154 N GLN A 74 -12.280 -27.166 -9.377 1.00 0.00 N ATOM 1155 CA GLN A 74 -13.576 -27.917 -9.303 1.00 0.00 C ATOM 1156 C GLN A 74 -13.593 -29.040 -10.360 1.00 0.00 C ATOM 1157 O GLN A 74 -14.382 -29.979 -10.275 1.00 0.00 O ATOM 1158 CB GLN A 74 -14.738 -26.929 -9.532 1.00 0.00 C ATOM 1159 CG GLN A 74 -15.482 -27.238 -10.844 1.00 0.00 C ATOM 1160 CD GLN A 74 -16.738 -26.373 -10.935 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -16.672 -25.206 -11.298 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -17.889 -26.884 -10.620 1.00 0.00 N ATOM 0 H GLN A 74 -12.331 -26.263 -9.848 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.687 -28.377 -8.321 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -15.434 -26.982 -8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.352 -25.910 -9.561 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.832 -27.044 -11.697 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.751 -28.294 -10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.950 -27.856 -10.317 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -18.733 -26.313 -10.676 1.00 0.00 H new ATOM 1171 N LYS A 75 -12.739 -28.958 -11.346 1.00 0.00 N ATOM 1172 CA LYS A 75 -12.695 -30.013 -12.404 1.00 0.00 C ATOM 1173 C LYS A 75 -11.525 -30.971 -12.140 1.00 0.00 C ATOM 1174 O LYS A 75 -11.506 -32.092 -12.646 1.00 0.00 O ATOM 1175 CB LYS A 75 -12.492 -29.341 -13.770 1.00 0.00 C ATOM 1176 CG LYS A 75 -12.398 -30.411 -14.869 1.00 0.00 C ATOM 1177 CD LYS A 75 -10.922 -30.708 -15.183 1.00 0.00 C ATOM 1178 CE LYS A 75 -10.270 -29.488 -15.842 1.00 0.00 C ATOM 1179 NZ LYS A 75 -8.938 -29.254 -15.218 1.00 0.00 N ATOM 0 H LYS A 75 -12.066 -28.201 -11.465 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.629 -30.574 -12.394 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.320 -28.664 -13.979 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.584 -28.739 -13.758 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.901 -31.322 -14.546 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.909 -30.067 -15.769 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.391 -30.963 -14.266 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.849 -31.571 -15.845 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.160 -29.653 -16.914 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.903 -28.610 -15.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.249 -28.999 -15.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.009 -28.479 -14.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.624 -30.120 -14.735 1.00 0.00 H new ATOM 1193 N LEU A 76 -10.560 -30.543 -11.359 1.00 0.00 N ATOM 1194 CA LEU A 76 -9.389 -31.375 -11.048 1.00 0.00 C ATOM 1195 C LEU A 76 -8.726 -31.869 -12.364 1.00 0.00 C ATOM 1196 O LEU A 76 -8.410 -31.021 -13.198 1.00 0.00 O ATOM 1197 CB LEU A 76 -9.877 -32.516 -10.166 1.00 0.00 C ATOM 1198 CG LEU A 76 -9.690 -32.156 -8.688 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -10.525 -33.098 -7.823 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -8.218 -32.298 -8.309 1.00 0.00 C ATOM 1201 OXT LEU A 76 -8.534 -33.066 -12.521 1.00 0.00 O ATOM 0 H LEU A 76 -10.550 -29.623 -10.920 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.620 -30.817 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.929 -32.719 -10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.326 -33.427 -10.399 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.012 -31.127 -8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.391 -32.841 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.577 -33.000 -8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.203 -34.126 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.087 -32.042 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.897 -33.326 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.618 -31.627 -8.924 1.00 0.00 H new