USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 474 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 7 THR OG1 : rot 126:sc= -2.75! USER MOD Single : A 15 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 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -0.0968 (180deg=-0.738) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.197 (180deg=-0.864) USER MOD Single : A 48 MET CE :methyl -144:sc= -0.326 (180deg=-2.69!) USER MOD Single : A 52 ASN : amide:sc= -0.0896 X(o=-0.09,f=-0.38) USER MOD Single : A 55 SER OG : rot 180:sc= 0.158 USER MOD Single : A 60 MET CE :methyl -173:sc= -1.53 (180deg=-1.97!) USER MOD Single : A 62 MET CE :methyl -160:sc= -2.33! (180deg=-3.23!) USER MOD Single : A 66 THR OG1 : rot 81:sc= 0.845 USER MOD Single : A 69 SER OG : rot -31:sc= 0.0518 USER MOD Single : A 70 MET CE :methyl -118:sc= -1.27 (180deg=-4.53!) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.658 9.092 -5.473 1.00 0.00 N ATOM 110 CA THR A 7 -5.939 7.857 -5.057 1.00 0.00 C ATOM 111 C THR A 7 -6.618 7.256 -3.820 1.00 0.00 C ATOM 112 O THR A 7 -7.175 7.972 -3.012 1.00 0.00 O ATOM 113 CB THR A 7 -4.485 8.207 -4.727 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.854 7.091 -4.113 1.00 0.00 O ATOM 115 CG2 THR A 7 -4.449 9.404 -3.775 1.00 0.00 C ATOM 0 HA THR A 7 -5.965 7.129 -5.868 1.00 0.00 H new ATOM 0 HB THR A 7 -3.957 8.460 -5.646 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.036 6.867 -4.604 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.414 9.652 -3.541 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.929 10.260 -4.249 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.979 9.154 -2.856 1.00 0.00 H new ATOM 123 N PRO A 8 -6.540 5.955 -3.710 1.00 0.00 N ATOM 124 CA PRO A 8 -7.131 5.212 -2.581 1.00 0.00 C ATOM 125 C PRO A 8 -6.263 5.374 -1.325 1.00 0.00 C ATOM 126 O PRO A 8 -5.212 5.979 -1.379 1.00 0.00 O ATOM 127 CB PRO A 8 -7.138 3.759 -3.073 1.00 0.00 C ATOM 128 CG PRO A 8 -6.074 3.669 -4.191 1.00 0.00 C ATOM 129 CD PRO A 8 -5.851 5.103 -4.703 1.00 0.00 C ATOM 0 HA PRO A 8 -8.126 5.562 -2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.904 3.073 -2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.122 3.482 -3.451 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.145 3.245 -3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.413 3.018 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.790 5.343 -4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.267 5.239 -5.701 1.00 0.00 H new ATOM 137 N PRO A 9 -6.732 4.826 -0.231 1.00 0.00 N ATOM 138 CA PRO A 9 -6.012 4.896 1.054 1.00 0.00 C ATOM 139 C PRO A 9 -4.764 4.009 1.022 1.00 0.00 C ATOM 140 O PRO A 9 -4.235 3.713 -0.027 1.00 0.00 O ATOM 141 CB PRO A 9 -7.042 4.399 2.076 1.00 0.00 C ATOM 142 CG PRO A 9 -8.078 3.576 1.282 1.00 0.00 C ATOM 143 CD PRO A 9 -8.009 4.082 -0.172 1.00 0.00 C ATOM 0 HA PRO A 9 -5.649 5.896 1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.565 3.788 2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.519 5.236 2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.851 2.511 1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.079 3.710 1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.023 3.256 -0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.857 4.724 -0.412 1.00 0.00 H new ATOM 151 N ALA A 10 -4.273 3.600 2.161 1.00 0.00 N ATOM 152 CA ALA A 10 -3.044 2.756 2.176 1.00 0.00 C ATOM 153 C ALA A 10 -3.377 1.316 1.774 1.00 0.00 C ATOM 154 O ALA A 10 -3.188 0.920 0.641 1.00 0.00 O ATOM 155 CB ALA A 10 -2.435 2.767 3.579 1.00 0.00 C ATOM 0 H ALA A 10 -4.668 3.813 3.077 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.330 3.163 1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.536 2.150 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.177 3.789 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.157 2.370 4.292 1.00 0.00 H new ATOM 161 N ALA A 11 -3.857 0.525 2.695 1.00 0.00 N ATOM 162 CA ALA A 11 -4.184 -0.892 2.367 1.00 0.00 C ATOM 163 C ALA A 11 -4.888 -0.969 1.009 1.00 0.00 C ATOM 164 O ALA A 11 -4.407 -1.601 0.090 1.00 0.00 O ATOM 165 CB ALA A 11 -5.101 -1.468 3.449 1.00 0.00 C ATOM 0 H ALA A 11 -4.037 0.799 3.661 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.260 -1.469 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.340 -2.504 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.596 -1.426 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.021 -0.885 3.495 1.00 0.00 H new ATOM 171 N VAL A 12 -6.023 -0.337 0.877 1.00 0.00 N ATOM 172 CA VAL A 12 -6.756 -0.383 -0.423 1.00 0.00 C ATOM 173 C VAL A 12 -5.767 -0.211 -1.576 1.00 0.00 C ATOM 174 O VAL A 12 -5.652 -1.062 -2.434 1.00 0.00 O ATOM 175 CB VAL A 12 -7.789 0.743 -0.463 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.409 0.824 -1.858 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.888 0.465 0.564 1.00 0.00 C ATOM 0 H VAL A 12 -6.474 0.209 1.611 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.261 -1.344 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.299 1.688 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.145 1.628 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.628 1.024 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.896 -0.122 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.624 1.268 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.374 -0.482 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.449 0.410 1.560 1.00 0.00 H new ATOM 187 N LEU A 13 -5.047 0.878 -1.601 1.00 0.00 N ATOM 188 CA LEU A 13 -4.063 1.086 -2.700 1.00 0.00 C ATOM 189 C LEU A 13 -3.282 -0.205 -2.912 1.00 0.00 C ATOM 190 O LEU A 13 -2.879 -0.531 -4.011 1.00 0.00 O ATOM 191 CB LEU A 13 -3.100 2.209 -2.322 1.00 0.00 C ATOM 192 CG LEU A 13 -2.366 2.699 -3.568 1.00 0.00 C ATOM 193 CD1 LEU A 13 -1.539 3.938 -3.216 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.436 1.598 -4.078 1.00 0.00 C ATOM 0 H LEU A 13 -5.097 1.628 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.586 1.358 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.648 3.032 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.383 1.853 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.091 2.951 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.014 4.289 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.199 4.724 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.814 3.684 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.912 1.948 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.710 1.347 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.022 0.713 -4.326 1.00 0.00 H new ATOM 206 N LEU A 14 -3.080 -0.949 -1.865 1.00 0.00 N ATOM 207 CA LEU A 14 -2.341 -2.229 -1.999 1.00 0.00 C ATOM 208 C LEU A 14 -3.186 -3.176 -2.847 1.00 0.00 C ATOM 209 O LEU A 14 -2.718 -3.748 -3.812 1.00 0.00 O ATOM 210 CB LEU A 14 -2.103 -2.830 -0.615 1.00 0.00 C ATOM 211 CG LEU A 14 -1.501 -1.767 0.307 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.995 -2.431 1.587 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.335 -1.074 -0.402 1.00 0.00 C ATOM 0 H LEU A 14 -3.395 -0.725 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.374 -2.066 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.042 -3.197 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.431 -3.685 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.264 -1.029 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.566 -1.675 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.825 -2.924 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.233 -3.169 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.093 -0.317 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.428 -1.811 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.695 -0.600 -1.315 1.00 0.00 H new ATOM 225 N LYS A 15 -4.443 -3.320 -2.519 1.00 0.00 N ATOM 226 CA LYS A 15 -5.317 -4.198 -3.336 1.00 0.00 C ATOM 227 C LYS A 15 -5.219 -3.720 -4.780 1.00 0.00 C ATOM 228 O LYS A 15 -5.265 -4.489 -5.714 1.00 0.00 O ATOM 229 CB LYS A 15 -6.764 -4.084 -2.852 1.00 0.00 C ATOM 230 CG LYS A 15 -7.513 -5.377 -3.178 1.00 0.00 C ATOM 231 CD LYS A 15 -9.018 -5.146 -3.041 1.00 0.00 C ATOM 232 CE LYS A 15 -9.720 -5.566 -4.334 1.00 0.00 C ATOM 233 NZ LYS A 15 -10.018 -4.357 -5.155 1.00 0.00 N ATOM 0 H LYS A 15 -4.896 -2.869 -1.724 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.006 -5.239 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.786 -3.899 -1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.254 -3.236 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.275 -5.701 -4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.194 -6.173 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.409 -5.719 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.218 -4.095 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.088 -6.254 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.643 -6.098 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.495 -4.643 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.637 -3.716 -4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.130 -3.867 -5.387 1.00 0.00 H new ATOM 247 N LYS A 16 -5.065 -2.444 -4.971 1.00 0.00 N ATOM 248 CA LYS A 16 -4.934 -1.925 -6.353 1.00 0.00 C ATOM 249 C LYS A 16 -3.547 -2.278 -6.877 1.00 0.00 C ATOM 250 O LYS A 16 -3.381 -2.752 -7.984 1.00 0.00 O ATOM 251 CB LYS A 16 -5.123 -0.409 -6.358 1.00 0.00 C ATOM 252 CG LYS A 16 -4.852 0.135 -7.761 1.00 0.00 C ATOM 253 CD LYS A 16 -6.149 0.685 -8.354 1.00 0.00 C ATOM 254 CE LYS A 16 -6.235 0.309 -9.836 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.587 -0.245 -10.129 1.00 0.00 N ATOM 0 H LYS A 16 -5.024 -1.741 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.695 -2.373 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.138 -0.157 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.447 0.055 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.097 0.920 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.455 -0.655 -8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.007 0.282 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.182 1.769 -8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.047 1.185 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.468 -0.426 -10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.647 -0.501 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.749 -1.091 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.310 0.470 -9.910 1.00 0.00 H new ATOM 269 N ALA A 17 -2.555 -2.046 -6.076 1.00 0.00 N ATOM 270 CA ALA A 17 -1.156 -2.355 -6.489 1.00 0.00 C ATOM 271 C ALA A 17 -0.989 -3.867 -6.690 1.00 0.00 C ATOM 272 O ALA A 17 -1.056 -4.366 -7.796 1.00 0.00 O ATOM 273 CB ALA A 17 -0.191 -1.877 -5.403 1.00 0.00 C ATOM 0 H ALA A 17 -2.649 -1.651 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.938 -1.845 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.833 -2.101 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.302 -0.801 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.416 -2.387 -4.466 1.00 0.00 H new ATOM 279 N ALA A 18 -0.756 -4.599 -5.631 1.00 0.00 N ATOM 280 CA ALA A 18 -0.571 -6.072 -5.761 1.00 0.00 C ATOM 281 C ALA A 18 -1.925 -6.761 -5.925 1.00 0.00 C ATOM 282 O ALA A 18 -2.017 -7.831 -6.492 1.00 0.00 O ATOM 283 CB ALA A 18 0.124 -6.608 -4.508 1.00 0.00 C ATOM 0 H ALA A 18 -0.686 -4.237 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 18 0.040 -6.278 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.261 -7.685 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.096 -6.127 -4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.489 -6.394 -3.632 1.00 0.00 H new ATOM 289 N GLY A 19 -2.977 -6.162 -5.429 1.00 0.00 N ATOM 290 CA GLY A 19 -4.322 -6.795 -5.550 1.00 0.00 C ATOM 291 C GLY A 19 -4.211 -8.295 -5.297 1.00 0.00 C ATOM 292 O GLY A 19 -4.874 -9.093 -5.927 1.00 0.00 O ATOM 0 H GLY A 19 -2.962 -5.263 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.011 -6.346 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.731 -6.614 -6.544 1.00 0.00 H new ATOM 447 N LYS A 31 1.902 -14.270 6.668 1.00 0.00 N ATOM 448 CA LYS A 31 2.017 -13.356 5.494 1.00 0.00 C ATOM 449 C LYS A 31 1.357 -14.007 4.274 1.00 0.00 C ATOM 450 O LYS A 31 1.519 -15.185 4.023 1.00 0.00 O ATOM 451 CB LYS A 31 3.494 -13.080 5.190 1.00 0.00 C ATOM 452 CG LYS A 31 4.365 -14.227 5.713 1.00 0.00 C ATOM 453 CD LYS A 31 4.166 -15.463 4.833 1.00 0.00 C ATOM 454 CE LYS A 31 5.528 -16.080 4.507 1.00 0.00 C ATOM 455 NZ LYS A 31 6.049 -15.490 3.241 1.00 0.00 N ATOM 0 HA LYS A 31 1.517 -12.415 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.637 -12.966 4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.799 -12.142 5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.414 -13.931 5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.101 -14.456 6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.538 -16.191 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.649 -15.189 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.228 -15.895 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.435 -17.161 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.975 -15.908 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.384 -15.688 2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.152 -14.461 3.354 1.00 0.00 H new ATOM 469 N VAL A 32 0.611 -13.250 3.516 1.00 0.00 N ATOM 470 CA VAL A 32 -0.061 -13.829 2.317 1.00 0.00 C ATOM 471 C VAL A 32 0.299 -13.016 1.071 1.00 0.00 C ATOM 472 O VAL A 32 -0.165 -13.293 -0.016 1.00 0.00 O ATOM 473 CB VAL A 32 -1.577 -13.796 2.521 1.00 0.00 C ATOM 474 CG1 VAL A 32 -1.948 -14.625 3.752 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.024 -12.347 2.728 1.00 0.00 C ATOM 0 H VAL A 32 0.438 -12.257 3.674 1.00 0.00 H new ATOM 0 HA VAL A 32 0.273 -14.858 2.182 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.073 -14.213 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.028 -14.600 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.625 -15.656 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.456 -14.211 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.104 -12.317 2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.527 -11.935 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.760 -11.756 1.851 1.00 0.00 H new ATOM 485 N ALA A 33 1.122 -12.017 1.220 1.00 0.00 N ATOM 486 CA ALA A 33 1.506 -11.190 0.041 1.00 0.00 C ATOM 487 C ALA A 33 2.877 -10.556 0.285 1.00 0.00 C ATOM 488 O ALA A 33 3.003 -9.579 0.996 1.00 0.00 O ATOM 489 CB ALA A 33 0.465 -10.086 -0.172 1.00 0.00 C ATOM 0 H ALA A 33 1.545 -11.737 2.105 1.00 0.00 H new ATOM 0 HA ALA A 33 1.551 -11.823 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.747 -9.482 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.512 -10.536 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.419 -9.454 0.715 1.00 0.00 H new ATOM 495 N THR A 34 3.905 -11.103 -0.301 1.00 0.00 N ATOM 496 CA THR A 34 5.265 -10.531 -0.102 1.00 0.00 C ATOM 497 C THR A 34 5.723 -9.838 -1.387 1.00 0.00 C ATOM 498 O THR A 34 5.735 -10.424 -2.451 1.00 0.00 O ATOM 499 CB THR A 34 6.247 -11.650 0.249 1.00 0.00 C ATOM 500 OG1 THR A 34 5.524 -12.824 0.593 1.00 0.00 O ATOM 501 CG2 THR A 34 7.117 -11.219 1.433 1.00 0.00 C ATOM 0 H THR A 34 3.862 -11.921 -0.909 1.00 0.00 H new ATOM 0 HA THR A 34 5.235 -9.806 0.712 1.00 0.00 H new ATOM 0 HB THR A 34 6.885 -11.855 -0.611 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.153 -13.542 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.816 -12.018 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.673 -10.320 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.482 -11.012 2.295 1.00 0.00 H new ATOM 509 N ILE A 35 6.112 -8.597 -1.293 1.00 0.00 N ATOM 510 CA ILE A 35 6.583 -7.866 -2.502 1.00 0.00 C ATOM 511 C ILE A 35 7.815 -7.047 -2.137 1.00 0.00 C ATOM 512 O ILE A 35 8.026 -6.705 -0.991 1.00 0.00 O ATOM 513 CB ILE A 35 5.487 -6.923 -3.006 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.777 -6.280 -1.812 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.474 -7.714 -3.837 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.593 -5.448 -2.309 1.00 0.00 C ATOM 0 H ILE A 35 6.124 -8.056 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 35 6.825 -8.584 -3.285 1.00 0.00 H new ATOM 0 HB ILE A 35 5.935 -6.145 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.430 -7.051 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.472 -5.648 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.694 -7.042 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.979 -8.171 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.026 -8.493 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.088 -4.990 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.953 -4.668 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.894 -6.092 -2.843 1.00 0.00 H new ATOM 528 N LYS A 36 8.634 -6.727 -3.093 1.00 0.00 N ATOM 529 CA LYS A 36 9.845 -5.928 -2.782 1.00 0.00 C ATOM 530 C LYS A 36 9.470 -4.446 -2.762 1.00 0.00 C ATOM 531 O LYS A 36 8.335 -4.083 -2.995 1.00 0.00 O ATOM 532 CB LYS A 36 10.912 -6.178 -3.852 1.00 0.00 C ATOM 533 CG LYS A 36 12.013 -7.077 -3.283 1.00 0.00 C ATOM 534 CD LYS A 36 12.333 -8.189 -4.285 1.00 0.00 C ATOM 535 CE LYS A 36 13.833 -8.189 -4.590 1.00 0.00 C ATOM 536 NZ LYS A 36 14.219 -6.882 -5.196 1.00 0.00 N ATOM 0 H LYS A 36 8.518 -6.983 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 36 10.241 -6.219 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.461 -6.648 -4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.338 -5.231 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.908 -6.489 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.691 -7.509 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.034 -9.155 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.765 -8.040 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.401 -8.359 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.076 -9.004 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.966 -7.034 -5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.390 -6.454 -5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.571 -6.245 -4.453 1.00 0.00 H new ATOM 550 N ARG A 37 10.411 -3.586 -2.483 1.00 0.00 N ATOM 551 CA ARG A 37 10.097 -2.131 -2.450 1.00 0.00 C ATOM 552 C ARG A 37 9.519 -1.700 -3.796 1.00 0.00 C ATOM 553 O ARG A 37 8.915 -0.656 -3.918 1.00 0.00 O ATOM 554 CB ARG A 37 11.376 -1.339 -2.163 1.00 0.00 C ATOM 555 CG ARG A 37 12.374 -1.549 -3.306 1.00 0.00 C ATOM 556 CD ARG A 37 13.790 -1.254 -2.807 1.00 0.00 C ATOM 557 NE ARG A 37 14.777 -1.627 -3.861 1.00 0.00 N ATOM 558 CZ ARG A 37 14.647 -1.162 -5.074 1.00 0.00 C ATOM 559 NH1 ARG A 37 13.992 -0.053 -5.280 1.00 0.00 N ATOM 560 NH2 ARG A 37 15.176 -1.805 -6.078 1.00 0.00 N ATOM 0 H ARG A 37 11.380 -3.828 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 37 9.366 -1.936 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.144 -0.279 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.814 -1.664 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.312 -2.573 -3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.128 -0.895 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.887 -0.197 -2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.989 -1.814 -1.893 1.00 0.00 H new ATOM 0 HE ARG A 37 15.555 -2.246 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.582 0.451 -4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.890 0.311 -6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.691 -2.670 -5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.075 -1.442 -7.026 1.00 0.00 H new ATOM 574 N ASP A 38 9.704 -2.501 -4.804 1.00 0.00 N ATOM 575 CA ASP A 38 9.172 -2.148 -6.153 1.00 0.00 C ATOM 576 C ASP A 38 7.653 -1.956 -6.087 1.00 0.00 C ATOM 577 O ASP A 38 7.090 -1.152 -6.804 1.00 0.00 O ATOM 578 CB ASP A 38 9.503 -3.272 -7.137 1.00 0.00 C ATOM 579 CG ASP A 38 9.336 -4.625 -6.441 1.00 0.00 C ATOM 580 OD1 ASP A 38 8.734 -4.653 -5.380 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.812 -5.609 -6.983 1.00 0.00 O ATOM 0 H ASP A 38 10.202 -3.390 -4.755 1.00 0.00 H new ATOM 0 HA ASP A 38 9.632 -1.218 -6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.847 -3.214 -8.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.524 -3.162 -7.501 1.00 0.00 H new ATOM 586 N LYS A 39 6.984 -2.691 -5.242 1.00 0.00 N ATOM 587 CA LYS A 39 5.504 -2.553 -5.144 1.00 0.00 C ATOM 588 C LYS A 39 5.153 -1.370 -4.251 1.00 0.00 C ATOM 589 O LYS A 39 4.458 -0.460 -4.659 1.00 0.00 O ATOM 590 CB LYS A 39 4.927 -3.818 -4.531 1.00 0.00 C ATOM 591 CG LYS A 39 4.375 -4.722 -5.638 1.00 0.00 C ATOM 592 CD LYS A 39 5.514 -5.146 -6.569 1.00 0.00 C ATOM 593 CE LYS A 39 5.138 -4.823 -8.017 1.00 0.00 C ATOM 594 NZ LYS A 39 4.709 -6.071 -8.711 1.00 0.00 N ATOM 0 H LYS A 39 7.398 -3.381 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 39 5.091 -2.393 -6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.697 -4.345 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.135 -3.564 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.902 -5.602 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.607 -4.194 -6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.433 -4.627 -6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.707 -6.213 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.334 -4.087 -8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.989 -4.381 -8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.454 -5.851 -9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.489 -6.759 -8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.885 -6.475 -8.222 1.00 0.00 H new ATOM 608 N VAL A 40 5.631 -1.362 -3.041 1.00 0.00 N ATOM 609 CA VAL A 40 5.317 -0.217 -2.151 1.00 0.00 C ATOM 610 C VAL A 40 5.958 1.027 -2.755 1.00 0.00 C ATOM 611 O VAL A 40 5.627 2.142 -2.410 1.00 0.00 O ATOM 612 CB VAL A 40 5.889 -0.470 -0.757 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.496 0.679 0.174 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.326 -1.782 -0.208 1.00 0.00 C ATOM 0 H VAL A 40 6.219 -2.090 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 40 4.238 -0.087 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 40 6.975 -0.534 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.904 0.498 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.894 1.616 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.410 0.743 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.733 -1.965 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.240 -1.715 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.604 -2.602 -0.870 1.00 0.00 H new ATOM 624 N ARG A 41 6.854 0.836 -3.686 1.00 0.00 N ATOM 625 CA ARG A 41 7.494 2.008 -4.346 1.00 0.00 C ATOM 626 C ARG A 41 6.464 2.644 -5.274 1.00 0.00 C ATOM 627 O ARG A 41 6.119 3.802 -5.145 1.00 0.00 O ATOM 628 CB ARG A 41 8.713 1.555 -5.157 1.00 0.00 C ATOM 629 CG ARG A 41 9.112 2.654 -6.146 1.00 0.00 C ATOM 630 CD ARG A 41 8.739 2.219 -7.565 1.00 0.00 C ATOM 631 NE ARG A 41 9.964 2.179 -8.411 1.00 0.00 N ATOM 632 CZ ARG A 41 9.905 1.696 -9.620 1.00 0.00 C ATOM 633 NH1 ARG A 41 9.259 0.585 -9.849 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.489 2.325 -10.604 1.00 0.00 N ATOM 0 H ARG A 41 7.169 -0.076 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 41 7.828 2.726 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.545 1.334 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.483 0.635 -5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.606 3.586 -5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.183 2.845 -6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.267 1.237 -7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.013 2.912 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 41 10.849 2.530 -8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.800 0.094 -9.081 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.213 0.208 -10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.992 3.195 -10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.443 1.947 -11.550 1.00 0.00 H new ATOM 648 N GLU A 42 5.948 1.877 -6.198 1.00 0.00 N ATOM 649 CA GLU A 42 4.917 2.420 -7.121 1.00 0.00 C ATOM 650 C GLU A 42 3.728 2.865 -6.280 1.00 0.00 C ATOM 651 O GLU A 42 3.233 3.968 -6.404 1.00 0.00 O ATOM 652 CB GLU A 42 4.470 1.328 -8.096 1.00 0.00 C ATOM 653 CG GLU A 42 5.583 1.064 -9.115 1.00 0.00 C ATOM 654 CD GLU A 42 5.037 1.231 -10.536 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.876 1.583 -10.669 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.790 1.003 -11.469 1.00 0.00 O ATOM 0 H GLU A 42 6.197 0.900 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 42 5.320 3.257 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.237 0.413 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.558 1.635 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.410 1.754 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.977 0.056 -8.983 1.00 0.00 H new ATOM 663 N ILE A 43 3.282 2.005 -5.410 1.00 0.00 N ATOM 664 CA ILE A 43 2.139 2.351 -4.529 1.00 0.00 C ATOM 665 C ILE A 43 2.348 3.758 -3.966 1.00 0.00 C ATOM 666 O ILE A 43 1.522 4.634 -4.130 1.00 0.00 O ATOM 667 CB ILE A 43 2.084 1.336 -3.385 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.461 0.033 -3.889 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.245 1.891 -2.230 1.00 0.00 C ATOM 670 CD1 ILE A 43 1.836 -1.111 -2.946 1.00 0.00 C ATOM 0 H ILE A 43 3.665 1.070 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 43 1.204 2.326 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 43 3.096 1.145 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.377 0.133 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.812 -0.184 -4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.212 1.161 -1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.693 2.816 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.232 2.091 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.392 -2.039 -3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.920 -1.216 -2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.463 -0.894 -1.945 1.00 0.00 H new ATOM 682 N ALA A 44 3.452 3.982 -3.308 1.00 0.00 N ATOM 683 CA ALA A 44 3.715 5.331 -2.743 1.00 0.00 C ATOM 684 C ALA A 44 3.765 6.347 -3.886 1.00 0.00 C ATOM 685 O ALA A 44 3.265 7.451 -3.775 1.00 0.00 O ATOM 686 CB ALA A 44 5.056 5.322 -2.006 1.00 0.00 C ATOM 0 H ALA A 44 4.181 3.289 -3.138 1.00 0.00 H new ATOM 0 HA ALA A 44 2.923 5.601 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.250 6.311 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.023 4.590 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.852 5.058 -2.702 1.00 0.00 H new ATOM 692 N GLU A 45 4.356 5.976 -4.989 1.00 0.00 N ATOM 693 CA GLU A 45 4.434 6.912 -6.143 1.00 0.00 C ATOM 694 C GLU A 45 3.023 7.337 -6.540 1.00 0.00 C ATOM 695 O GLU A 45 2.779 8.474 -6.890 1.00 0.00 O ATOM 696 CB GLU A 45 5.109 6.213 -7.324 1.00 0.00 C ATOM 697 CG GLU A 45 6.249 7.087 -7.852 1.00 0.00 C ATOM 698 CD GLU A 45 7.097 6.280 -8.837 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.539 5.791 -9.806 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.290 6.167 -8.608 1.00 0.00 O ATOM 0 H GLU A 45 4.788 5.064 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 45 5.016 7.790 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.495 5.242 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.382 6.029 -8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.845 7.972 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.867 7.436 -7.025 1.00 0.00 H new ATOM 707 N LEU A 46 2.093 6.430 -6.479 1.00 0.00 N ATOM 708 CA LEU A 46 0.693 6.775 -6.842 1.00 0.00 C ATOM 709 C LEU A 46 0.137 7.761 -5.814 1.00 0.00 C ATOM 710 O LEU A 46 -0.114 8.910 -6.112 1.00 0.00 O ATOM 711 CB LEU A 46 -0.168 5.509 -6.845 1.00 0.00 C ATOM 712 CG LEU A 46 -0.973 5.428 -8.146 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.556 6.803 -8.484 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.058 4.972 -9.282 1.00 0.00 C ATOM 0 H LEU A 46 2.242 5.462 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 46 0.676 7.225 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.466 4.628 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.843 5.516 -5.989 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.787 4.714 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.127 6.738 -9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.211 7.129 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.746 7.522 -8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.629 4.914 -10.208 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.756 5.686 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.352 3.990 -9.047 1.00 0.00 H new ATOM 726 N LYS A 47 -0.053 7.312 -4.602 1.00 0.00 N ATOM 727 CA LYS A 47 -0.591 8.211 -3.539 1.00 0.00 C ATOM 728 C LYS A 47 0.515 9.131 -2.995 1.00 0.00 C ATOM 729 O LYS A 47 0.415 9.638 -1.896 1.00 0.00 O ATOM 730 CB LYS A 47 -1.153 7.362 -2.396 1.00 0.00 C ATOM 731 CG LYS A 47 -1.678 8.278 -1.287 1.00 0.00 C ATOM 732 CD LYS A 47 -3.128 7.912 -0.963 1.00 0.00 C ATOM 733 CE LYS A 47 -3.181 7.154 0.365 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.576 5.804 0.190 1.00 0.00 N ATOM 0 H LYS A 47 0.142 6.357 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.379 8.829 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.956 6.723 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.378 6.705 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.059 8.178 -0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.617 9.320 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.737 8.814 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.546 7.298 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.643 7.708 1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.213 7.061 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.425 5.368 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.216 5.207 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.664 5.893 -0.302 1.00 0.00 H new ATOM 748 N MET A 48 1.567 9.361 -3.738 1.00 0.00 N ATOM 749 CA MET A 48 2.649 10.246 -3.223 1.00 0.00 C ATOM 750 C MET A 48 2.122 11.676 -3.031 1.00 0.00 C ATOM 751 O MET A 48 2.410 12.296 -2.025 1.00 0.00 O ATOM 752 CB MET A 48 3.826 10.256 -4.206 1.00 0.00 C ATOM 753 CG MET A 48 4.948 11.131 -3.644 1.00 0.00 C ATOM 754 SD MET A 48 6.274 10.076 -3.012 1.00 0.00 S ATOM 755 CE MET A 48 5.562 9.771 -1.377 1.00 0.00 C ATOM 0 H MET A 48 1.721 8.977 -4.670 1.00 0.00 H new ATOM 0 HA MET A 48 2.986 9.862 -2.260 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.188 9.241 -4.368 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.502 10.637 -5.174 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.333 11.791 -4.421 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.563 11.767 -2.847 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.360 9.726 -0.635 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.875 10.579 -1.123 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.021 8.825 -1.386 1.00 0.00 H new ATOM 765 N PRO A 49 1.356 12.169 -3.981 1.00 0.00 N ATOM 766 CA PRO A 49 0.786 13.523 -3.892 1.00 0.00 C ATOM 767 C PRO A 49 -0.453 13.508 -2.992 1.00 0.00 C ATOM 768 O PRO A 49 -1.161 14.490 -2.874 1.00 0.00 O ATOM 769 CB PRO A 49 0.404 13.851 -5.338 1.00 0.00 C ATOM 770 CG PRO A 49 0.239 12.494 -6.063 1.00 0.00 C ATOM 771 CD PRO A 49 0.987 11.445 -5.216 1.00 0.00 C ATOM 0 HA PRO A 49 1.472 14.255 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.521 14.426 -5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.175 14.456 -5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.815 12.233 -6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.650 12.542 -7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.354 10.584 -4.999 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.869 11.069 -5.735 1.00 0.00 H new ATOM 779 N ASP A 50 -0.726 12.396 -2.359 1.00 0.00 N ATOM 780 CA ASP A 50 -1.922 12.317 -1.473 1.00 0.00 C ATOM 781 C ASP A 50 -1.606 11.468 -0.238 1.00 0.00 C ATOM 782 O ASP A 50 -2.489 11.097 0.509 1.00 0.00 O ATOM 783 CB ASP A 50 -3.080 11.677 -2.244 1.00 0.00 C ATOM 784 CG ASP A 50 -4.379 12.420 -1.925 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.469 13.586 -2.271 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.258 11.810 -1.340 1.00 0.00 O ATOM 0 H ASP A 50 -0.172 11.541 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.198 13.322 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.882 11.713 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.174 10.625 -1.973 1.00 0.00 H new ATOM 791 N LEU A 51 -0.357 11.160 -0.009 1.00 0.00 N ATOM 792 CA LEU A 51 -0.007 10.337 1.183 1.00 0.00 C ATOM 793 C LEU A 51 0.570 11.235 2.279 1.00 0.00 C ATOM 794 O LEU A 51 1.110 12.291 2.012 1.00 0.00 O ATOM 795 CB LEU A 51 1.031 9.278 0.798 1.00 0.00 C ATOM 796 CG LEU A 51 1.244 8.323 1.973 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.101 7.726 2.389 1.00 0.00 C ATOM 798 CD2 LEU A 51 2.191 7.197 1.550 1.00 0.00 C ATOM 0 H LEU A 51 0.431 11.441 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.907 9.845 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.694 8.724 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.973 9.757 0.529 1.00 0.00 H new ATOM 0 HG LEU A 51 1.678 8.867 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.047 7.044 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.778 8.527 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.532 7.181 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.343 6.516 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.756 6.651 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.149 7.621 1.249 1.00 0.00 H new ATOM 810 N ASN A 52 0.458 10.824 3.514 1.00 0.00 N ATOM 811 CA ASN A 52 0.997 11.649 4.631 1.00 0.00 C ATOM 812 C ASN A 52 2.470 11.298 4.861 1.00 0.00 C ATOM 813 O ASN A 52 3.025 11.566 5.908 1.00 0.00 O ATOM 814 CB ASN A 52 0.200 11.360 5.906 1.00 0.00 C ATOM 815 CG ASN A 52 -0.326 12.673 6.489 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.373 13.666 6.508 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.539 12.718 6.971 1.00 0.00 N ATOM 0 H ASN A 52 0.015 9.950 3.797 1.00 0.00 H new ATOM 0 HA ASN A 52 0.911 12.706 4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.631 10.690 5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.832 10.853 6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.900 13.587 7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.126 11.884 6.955 1.00 0.00 H new ATOM 824 N ALA A 53 3.105 10.700 3.891 1.00 0.00 N ATOM 825 CA ALA A 53 4.539 10.332 4.055 1.00 0.00 C ATOM 826 C ALA A 53 5.396 11.599 4.009 1.00 0.00 C ATOM 827 O ALA A 53 4.890 12.704 4.004 1.00 0.00 O ATOM 828 CB ALA A 53 4.955 9.394 2.920 1.00 0.00 C ATOM 0 H ALA A 53 2.693 10.450 2.992 1.00 0.00 H new ATOM 0 HA ALA A 53 4.681 9.831 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.004 9.123 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.342 8.493 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.815 9.897 1.963 1.00 0.00 H new ATOM 834 N ALA A 54 6.690 11.447 3.974 1.00 0.00 N ATOM 835 CA ALA A 54 7.582 12.642 3.924 1.00 0.00 C ATOM 836 C ALA A 54 8.796 12.327 3.052 1.00 0.00 C ATOM 837 O ALA A 54 9.820 12.976 3.134 1.00 0.00 O ATOM 838 CB ALA A 54 8.046 12.994 5.339 1.00 0.00 C ATOM 0 H ALA A 54 7.170 10.547 3.978 1.00 0.00 H new ATOM 0 HA ALA A 54 7.038 13.487 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.698 13.867 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.179 13.215 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.592 12.151 5.763 1.00 0.00 H new ATOM 844 N SER A 55 8.687 11.332 2.216 1.00 0.00 N ATOM 845 CA SER A 55 9.829 10.966 1.334 1.00 0.00 C ATOM 846 C SER A 55 9.572 9.579 0.740 1.00 0.00 C ATOM 847 O SER A 55 8.842 8.782 1.295 1.00 0.00 O ATOM 848 CB SER A 55 11.123 10.954 2.156 1.00 0.00 C ATOM 849 OG SER A 55 11.746 9.679 2.052 1.00 0.00 O ATOM 0 H SER A 55 7.853 10.755 2.106 1.00 0.00 H new ATOM 0 HA SER A 55 9.928 11.693 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.800 11.730 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.904 11.178 3.200 1.00 0.00 H new ATOM 0 HG SER A 55 12.573 9.675 2.577 1.00 0.00 H new ATOM 855 N ILE A 56 10.162 9.281 -0.383 1.00 0.00 N ATOM 856 CA ILE A 56 9.943 7.944 -1.002 1.00 0.00 C ATOM 857 C ILE A 56 10.085 6.859 0.068 1.00 0.00 C ATOM 858 O ILE A 56 9.119 6.246 0.475 1.00 0.00 O ATOM 859 CB ILE A 56 10.974 7.716 -2.107 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.793 8.774 -3.198 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.772 6.324 -2.711 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.410 8.621 -3.833 1.00 0.00 C ATOM 0 H ILE A 56 10.785 9.903 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 56 8.942 7.901 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 56 11.978 7.791 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.901 9.772 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.567 8.665 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.506 6.159 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.897 5.569 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.768 6.251 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.281 9.374 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.319 7.628 -4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.643 8.752 -3.070 1.00 0.00 H new ATOM 874 N GLU A 57 11.281 6.616 0.527 1.00 0.00 N ATOM 875 CA GLU A 57 11.481 5.570 1.569 1.00 0.00 C ATOM 876 C GLU A 57 10.555 5.840 2.760 1.00 0.00 C ATOM 877 O GLU A 57 10.124 4.931 3.440 1.00 0.00 O ATOM 878 CB GLU A 57 12.937 5.588 2.040 1.00 0.00 C ATOM 879 CG GLU A 57 13.338 4.189 2.508 1.00 0.00 C ATOM 880 CD GLU A 57 14.020 4.282 3.874 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.783 5.259 4.566 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.767 3.376 4.206 1.00 0.00 O ATOM 0 H GLU A 57 12.129 7.096 0.226 1.00 0.00 H new ATOM 0 HA GLU A 57 11.247 4.593 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.589 5.913 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.059 6.304 2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.458 3.550 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.012 3.731 1.784 1.00 0.00 H new ATOM 889 N ALA A 58 10.251 7.084 3.020 1.00 0.00 N ATOM 890 CA ALA A 58 9.357 7.405 4.170 1.00 0.00 C ATOM 891 C ALA A 58 7.948 6.877 3.890 1.00 0.00 C ATOM 892 O ALA A 58 7.300 6.320 4.757 1.00 0.00 O ATOM 893 CB ALA A 58 9.303 8.921 4.367 1.00 0.00 C ATOM 0 H ALA A 58 10.582 7.889 2.488 1.00 0.00 H new ATOM 0 HA ALA A 58 9.747 6.934 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.650 9.156 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.305 9.297 4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.915 9.392 3.464 1.00 0.00 H new ATOM 899 N ALA A 59 7.466 7.042 2.688 1.00 0.00 N ATOM 900 CA ALA A 59 6.102 6.545 2.363 1.00 0.00 C ATOM 901 C ALA A 59 6.045 5.041 2.620 1.00 0.00 C ATOM 902 O ALA A 59 5.122 4.536 3.228 1.00 0.00 O ATOM 903 CB ALA A 59 5.785 6.826 0.893 1.00 0.00 C ATOM 0 H ALA A 59 7.958 7.499 1.920 1.00 0.00 H new ATOM 0 HA ALA A 59 5.369 7.054 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.785 6.460 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.830 7.900 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.513 6.319 0.260 1.00 0.00 H new ATOM 909 N MET A 60 7.036 4.331 2.173 1.00 0.00 N ATOM 910 CA MET A 60 7.065 2.859 2.393 1.00 0.00 C ATOM 911 C MET A 60 7.060 2.585 3.895 1.00 0.00 C ATOM 912 O MET A 60 6.449 1.646 4.365 1.00 0.00 O ATOM 913 CB MET A 60 8.336 2.272 1.774 1.00 0.00 C ATOM 914 CG MET A 60 8.448 2.716 0.315 1.00 0.00 C ATOM 915 SD MET A 60 8.900 1.297 -0.715 1.00 0.00 S ATOM 916 CE MET A 60 10.065 2.162 -1.794 1.00 0.00 C ATOM 0 H MET A 60 7.834 4.707 1.661 1.00 0.00 H new ATOM 0 HA MET A 60 6.193 2.399 1.927 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.211 2.602 2.333 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.312 1.184 1.833 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.501 3.136 -0.022 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.197 3.502 0.219 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.380 1.496 -2.598 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.582 3.042 -2.219 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.936 2.470 -1.216 1.00 0.00 H new ATOM 926 N ARG A 61 7.731 3.405 4.656 1.00 0.00 N ATOM 927 CA ARG A 61 7.755 3.198 6.129 1.00 0.00 C ATOM 928 C ARG A 61 6.318 3.105 6.639 1.00 0.00 C ATOM 929 O ARG A 61 5.888 2.080 7.132 1.00 0.00 O ATOM 930 CB ARG A 61 8.460 4.380 6.801 1.00 0.00 C ATOM 931 CG ARG A 61 8.711 4.053 8.275 1.00 0.00 C ATOM 932 CD ARG A 61 10.131 4.481 8.659 1.00 0.00 C ATOM 933 NE ARG A 61 10.938 3.276 9.008 1.00 0.00 N ATOM 934 CZ ARG A 61 10.684 2.614 10.104 1.00 0.00 C ATOM 935 NH1 ARG A 61 9.686 2.966 10.870 1.00 0.00 N ATOM 936 NH2 ARG A 61 11.432 1.596 10.438 1.00 0.00 N ATOM 0 H ARG A 61 8.263 4.208 4.321 1.00 0.00 H new ATOM 0 HA ARG A 61 8.292 2.279 6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.404 4.588 6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.849 5.278 6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.983 4.568 8.902 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.582 2.985 8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.597 5.016 7.832 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.099 5.167 9.505 1.00 0.00 H new ATOM 0 HE ARG A 61 11.689 2.969 8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.101 3.761 10.613 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.491 2.446 11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.213 1.320 9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.235 1.078 11.294 1.00 0.00 H new ATOM 950 N MET A 62 5.571 4.166 6.519 1.00 0.00 N ATOM 951 CA MET A 62 4.158 4.139 6.990 1.00 0.00 C ATOM 952 C MET A 62 3.324 3.260 6.054 1.00 0.00 C ATOM 953 O MET A 62 2.434 2.550 6.480 1.00 0.00 O ATOM 954 CB MET A 62 3.595 5.561 6.992 1.00 0.00 C ATOM 955 CG MET A 62 4.543 6.486 7.757 1.00 0.00 C ATOM 956 SD MET A 62 3.602 7.853 8.480 1.00 0.00 S ATOM 957 CE MET A 62 4.025 9.103 7.241 1.00 0.00 C ATOM 0 H MET A 62 5.877 5.051 6.115 1.00 0.00 H new ATOM 0 HA MET A 62 4.119 3.731 8.000 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.471 5.916 5.969 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.608 5.572 7.454 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.057 5.930 8.541 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.310 6.873 7.086 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.856 10.097 7.655 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.074 8.999 6.963 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.400 8.966 6.358 1.00 0.00 H new ATOM 967 N ILE A 63 3.604 3.307 4.781 1.00 0.00 N ATOM 968 CA ILE A 63 2.830 2.483 3.810 1.00 0.00 C ATOM 969 C ILE A 63 2.972 0.999 4.164 1.00 0.00 C ATOM 970 O ILE A 63 1.996 0.287 4.289 1.00 0.00 O ATOM 971 CB ILE A 63 3.369 2.738 2.396 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.872 4.103 1.907 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.873 1.650 1.441 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.359 4.049 1.699 1.00 0.00 C ATOM 0 H ILE A 63 4.339 3.883 4.370 1.00 0.00 H new ATOM 0 HA ILE A 63 1.776 2.756 3.852 1.00 0.00 H new ATOM 0 HB ILE A 63 4.459 2.723 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.123 4.875 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.369 4.370 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.261 1.840 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.221 0.676 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.783 1.658 1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.005 5.019 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.121 3.288 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.871 3.801 2.641 1.00 0.00 H new ATOM 986 N GLU A 64 4.176 0.526 4.329 1.00 0.00 N ATOM 987 CA GLU A 64 4.370 -0.912 4.676 1.00 0.00 C ATOM 988 C GLU A 64 3.708 -1.205 6.025 1.00 0.00 C ATOM 989 O GLU A 64 2.848 -2.059 6.133 1.00 0.00 O ATOM 990 CB GLU A 64 5.864 -1.220 4.767 1.00 0.00 C ATOM 991 CG GLU A 64 6.063 -2.726 4.956 1.00 0.00 C ATOM 992 CD GLU A 64 7.102 -2.975 6.051 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.230 -2.546 5.877 1.00 0.00 O ATOM 994 OE2 GLU A 64 6.751 -3.588 7.045 1.00 0.00 O ATOM 0 H GLU A 64 5.033 1.071 4.239 1.00 0.00 H new ATOM 0 HA GLU A 64 3.917 -1.534 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.371 -0.886 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.308 -0.676 5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.117 -3.197 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.390 -3.180 4.021 1.00 0.00 H new ATOM 1001 N GLY A 65 4.100 -0.505 7.056 1.00 0.00 N ATOM 1002 CA GLY A 65 3.492 -0.745 8.394 1.00 0.00 C ATOM 1003 C GLY A 65 1.978 -0.883 8.242 1.00 0.00 C ATOM 1004 O GLY A 65 1.320 -1.542 9.023 1.00 0.00 O ATOM 0 H GLY A 65 4.815 0.222 7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.908 -1.649 8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.728 0.079 9.067 1.00 0.00 H new ATOM 1008 N THR A 66 1.420 -0.271 7.234 1.00 0.00 N ATOM 1009 CA THR A 66 -0.050 -0.367 7.019 1.00 0.00 C ATOM 1010 C THR A 66 -0.378 -1.728 6.408 1.00 0.00 C ATOM 1011 O THR A 66 -1.330 -2.380 6.787 1.00 0.00 O ATOM 1012 CB THR A 66 -0.494 0.739 6.060 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.369 1.998 6.707 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.953 0.513 5.658 1.00 0.00 C ATOM 0 H THR A 66 1.921 0.293 6.548 1.00 0.00 H new ATOM 0 HA THR A 66 -0.570 -0.255 7.970 1.00 0.00 H new ATOM 0 HB THR A 66 0.132 0.722 5.168 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.565 2.292 6.673 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.268 1.302 4.975 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.049 -0.454 5.165 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.582 0.531 6.548 1.00 0.00 H new ATOM 1022 N ALA A 67 0.410 -2.162 5.464 1.00 0.00 N ATOM 1023 CA ALA A 67 0.153 -3.480 4.820 1.00 0.00 C ATOM 1024 C ALA A 67 0.087 -4.566 5.894 1.00 0.00 C ATOM 1025 O ALA A 67 -0.613 -5.550 5.753 1.00 0.00 O ATOM 1026 CB ALA A 67 1.290 -3.793 3.848 1.00 0.00 C ATOM 0 H ALA A 67 1.223 -1.659 5.110 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.793 -3.447 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.108 -4.757 3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.340 -3.016 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.234 -3.829 4.392 1.00 0.00 H new ATOM 1032 N ARG A 68 0.811 -4.402 6.966 1.00 0.00 N ATOM 1033 CA ARG A 68 0.786 -5.432 8.042 1.00 0.00 C ATOM 1034 C ARG A 68 -0.647 -5.606 8.547 1.00 0.00 C ATOM 1035 O ARG A 68 -0.970 -6.576 9.204 1.00 0.00 O ATOM 1036 CB ARG A 68 1.686 -4.989 9.199 1.00 0.00 C ATOM 1037 CG ARG A 68 3.127 -5.411 8.917 1.00 0.00 C ATOM 1038 CD ARG A 68 3.250 -6.930 9.056 1.00 0.00 C ATOM 1039 NE ARG A 68 4.544 -7.381 8.473 1.00 0.00 N ATOM 1040 CZ ARG A 68 5.125 -8.456 8.928 1.00 0.00 C ATOM 1041 NH1 ARG A 68 5.904 -8.383 9.974 1.00 0.00 N ATOM 1042 NH2 ARG A 68 4.927 -9.604 8.340 1.00 0.00 N ATOM 0 H ARG A 68 1.418 -3.601 7.143 1.00 0.00 H new ATOM 0 HA ARG A 68 1.149 -6.380 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.631 -3.907 9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.342 -5.435 10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.418 -5.102 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.805 -4.915 9.612 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.194 -7.215 10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.420 -7.420 8.548 1.00 0.00 H new ATOM 0 HE ARG A 68 4.976 -6.849 7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.057 -7.486 10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.359 -9.223 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.318 -9.661 7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.382 -10.445 8.696 1.00 0.00 H new ATOM 1056 N SER A 69 -1.512 -4.677 8.242 1.00 0.00 N ATOM 1057 CA SER A 69 -2.924 -4.795 8.700 1.00 0.00 C ATOM 1058 C SER A 69 -3.645 -5.833 7.837 1.00 0.00 C ATOM 1059 O SER A 69 -4.701 -6.323 8.186 1.00 0.00 O ATOM 1060 CB SER A 69 -3.619 -3.440 8.559 1.00 0.00 C ATOM 1061 OG SER A 69 -4.934 -3.528 9.095 1.00 0.00 O ATOM 0 H SER A 69 -1.301 -3.842 7.696 1.00 0.00 H new ATOM 0 HA SER A 69 -2.949 -5.106 9.744 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.051 -2.671 9.083 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.660 -3.147 7.510 1.00 0.00 H new ATOM 0 HG SER A 69 -5.276 -4.439 8.975 1.00 0.00 H new ATOM 1067 N MET A 70 -3.075 -6.175 6.715 1.00 0.00 N ATOM 1068 CA MET A 70 -3.712 -7.184 5.825 1.00 0.00 C ATOM 1069 C MET A 70 -2.770 -8.376 5.665 1.00 0.00 C ATOM 1070 O MET A 70 -3.082 -9.488 6.044 1.00 0.00 O ATOM 1071 CB MET A 70 -3.969 -6.564 4.451 1.00 0.00 C ATOM 1072 CG MET A 70 -4.661 -5.211 4.619 1.00 0.00 C ATOM 1073 SD MET A 70 -6.387 -5.348 4.090 1.00 0.00 S ATOM 1074 CE MET A 70 -6.152 -4.766 2.393 1.00 0.00 C ATOM 0 H MET A 70 -2.191 -5.797 6.375 1.00 0.00 H new ATOM 0 HA MET A 70 -4.656 -7.510 6.262 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.028 -6.438 3.916 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.590 -7.229 3.851 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.613 -4.892 5.660 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.148 -4.452 4.029 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.727 -3.853 2.239 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.095 -4.563 2.221 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.492 -5.531 1.695 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.613 -8.146 5.109 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.641 -9.259 4.925 1.00 0.00 C ATOM 1086 C GLY A 71 0.306 -8.965 3.752 1.00 0.00 C ATOM 1087 O GLY A 71 0.900 -9.867 3.191 1.00 0.00 O ATOM 0 H GLY A 71 -1.299 -7.235 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.063 -9.399 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.177 -10.190 4.741 1.00 0.00 H new ATOM 1091 N ILE A 72 0.466 -7.723 3.377 1.00 0.00 N ATOM 1092 CA ILE A 72 1.382 -7.398 2.249 1.00 0.00 C ATOM 1093 C ILE A 72 2.779 -7.113 2.802 1.00 0.00 C ATOM 1094 O ILE A 72 3.120 -5.985 3.099 1.00 0.00 O ATOM 1095 CB ILE A 72 0.861 -6.166 1.505 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.475 -6.503 0.836 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.872 -5.748 0.436 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.585 -5.644 1.447 1.00 0.00 C ATOM 0 H ILE A 72 0.001 -6.922 3.804 1.00 0.00 H new ATOM 0 HA ILE A 72 1.428 -8.241 1.559 1.00 0.00 H new ATOM 0 HB ILE A 72 0.721 -5.348 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.411 -6.324 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.704 -7.560 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.500 -4.871 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.824 -5.510 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.013 -6.566 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.535 -5.884 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.654 -5.845 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.357 -4.590 1.290 1.00 0.00 H new ATOM 1110 N VAL A 73 3.588 -8.124 2.951 1.00 0.00 N ATOM 1111 CA VAL A 73 4.958 -7.911 3.493 1.00 0.00 C ATOM 1112 C VAL A 73 5.806 -7.152 2.471 1.00 0.00 C ATOM 1113 O VAL A 73 5.462 -7.054 1.310 1.00 0.00 O ATOM 1114 CB VAL A 73 5.599 -9.265 3.797 1.00 0.00 C ATOM 1115 CG1 VAL A 73 7.004 -9.051 4.363 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.744 -10.007 4.825 1.00 0.00 C ATOM 0 H VAL A 73 3.359 -9.091 2.720 1.00 0.00 H new ATOM 0 HA VAL A 73 4.899 -7.325 4.410 1.00 0.00 H new ATOM 0 HB VAL A 73 5.664 -9.852 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.460 -10.017 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.613 -8.518 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.941 -8.466 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.197 -10.974 5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.682 -9.418 5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.742 -10.159 4.423 1.00 0.00 H new ATOM 1126 N VAL A 74 6.909 -6.606 2.903 1.00 0.00 N ATOM 1127 CA VAL A 74 7.786 -5.838 1.971 1.00 0.00 C ATOM 1128 C VAL A 74 9.250 -6.039 2.361 1.00 0.00 C ATOM 1129 O VAL A 74 9.614 -5.946 3.516 1.00 0.00 O ATOM 1130 CB VAL A 74 7.436 -4.351 2.058 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.151 -3.589 0.940 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.923 -4.169 1.906 1.00 0.00 C ATOM 0 H VAL A 74 7.243 -6.658 3.865 1.00 0.00 H new ATOM 0 HA VAL A 74 7.632 -6.192 0.952 1.00 0.00 H new ATOM 0 HB VAL A 74 7.755 -3.964 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.901 -2.530 1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.229 -3.714 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.834 -3.979 -0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.676 -3.109 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.605 -4.560 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.410 -4.709 2.702 1.00 0.00 H new ATOM 1142 N GLU A 75 10.095 -6.316 1.406 1.00 0.00 N ATOM 1143 CA GLU A 75 11.539 -6.524 1.720 1.00 0.00 C ATOM 1144 C GLU A 75 12.372 -5.442 1.028 1.00 0.00 C ATOM 1145 O GLU A 75 12.047 -4.988 -0.051 1.00 0.00 O ATOM 1146 CB GLU A 75 11.992 -7.907 1.230 1.00 0.00 C ATOM 1147 CG GLU A 75 11.026 -8.433 0.164 1.00 0.00 C ATOM 1148 CD GLU A 75 11.548 -9.761 -0.388 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.739 -9.996 -0.280 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.747 -10.518 -0.907 1.00 0.00 O ATOM 0 H GLU A 75 9.848 -6.408 0.420 1.00 0.00 H new ATOM 0 HA GLU A 75 11.680 -6.464 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.999 -7.843 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.034 -8.602 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.034 -8.571 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.926 -7.706 -0.642 1.00 0.00 H new ATOM 1157 N ASP A 76 13.446 -5.025 1.643 1.00 0.00 N ATOM 1158 CA ASP A 76 14.299 -3.975 1.023 1.00 0.00 C ATOM 1159 C ASP A 76 15.119 -4.587 -0.114 1.00 0.00 C ATOM 1160 O ASP A 76 15.741 -5.612 0.116 1.00 0.00 O ATOM 1161 CB ASP A 76 15.245 -3.395 2.079 1.00 0.00 C ATOM 1162 CG ASP A 76 14.735 -2.023 2.524 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.180 -1.321 1.694 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.907 -1.698 3.686 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.112 -4.022 -1.195 1.00 0.00 O ATOM 0 H ASP A 76 13.768 -5.367 2.548 1.00 0.00 H new ATOM 0 HA ASP A 76 13.665 -3.181 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.307 -4.067 2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.252 -3.305 1.671 1.00 0.00 H new