USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 445 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 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 34 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc=-0.00168 (180deg=-0.0492) USER MOD Single : A 47 LYS NZ :NH3+ -140:sc= -0.643 (180deg=-1.62) USER MOD Single : A 48 MET CE :methyl -168:sc=-0.00586 (180deg=-0.0657) USER MOD Single : A 52 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.15) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 103:sc= 1.01 USER MOD Single : A 69 SER OG : rot -54:sc= 0.0497 USER MOD Single : A 70 MET CE :methyl -166:sc= -3.4 (180deg=-4.22) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -7.780 7.167 -1.856 1.00 0.00 N ATOM 124 CA PRO A 8 -8.230 6.136 -0.903 1.00 0.00 C ATOM 125 C PRO A 8 -7.099 5.793 0.073 1.00 0.00 C ATOM 126 O PRO A 8 -5.998 6.289 -0.061 1.00 0.00 O ATOM 127 CB PRO A 8 -8.564 4.940 -1.800 1.00 0.00 C ATOM 128 CG PRO A 8 -7.773 5.144 -3.113 1.00 0.00 C ATOM 129 CD PRO A 8 -7.428 6.641 -3.193 1.00 0.00 C ATOM 0 HA PRO A 8 -9.077 6.449 -0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.283 4.003 -1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.635 4.889 -1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.867 4.537 -3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.367 4.837 -3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.372 6.795 -3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.996 7.139 -3.979 1.00 0.00 H new ATOM 137 N PRO A 9 -7.403 4.949 1.026 1.00 0.00 N ATOM 138 CA PRO A 9 -6.425 4.516 2.038 1.00 0.00 C ATOM 139 C PRO A 9 -5.458 3.489 1.442 1.00 0.00 C ATOM 140 O PRO A 9 -5.817 2.710 0.581 1.00 0.00 O ATOM 141 CB PRO A 9 -7.294 3.895 3.136 1.00 0.00 C ATOM 142 CG PRO A 9 -8.632 3.504 2.468 1.00 0.00 C ATOM 143 CD PRO A 9 -8.745 4.347 1.182 1.00 0.00 C ATOM 0 HA PRO A 9 -5.802 5.328 2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.807 3.021 3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.458 4.603 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.653 2.439 2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.471 3.701 3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.007 3.730 0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.517 5.111 1.273 1.00 0.00 H new ATOM 151 N ALA A 10 -4.232 3.485 1.888 1.00 0.00 N ATOM 152 CA ALA A 10 -3.242 2.513 1.341 1.00 0.00 C ATOM 153 C ALA A 10 -3.618 1.097 1.779 1.00 0.00 C ATOM 154 O ALA A 10 -3.043 0.126 1.330 1.00 0.00 O ATOM 155 CB ALA A 10 -1.848 2.855 1.868 1.00 0.00 C ATOM 0 H ALA A 10 -3.872 4.112 2.607 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.244 2.568 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.124 2.145 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.578 3.864 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.847 2.801 2.957 1.00 0.00 H new ATOM 161 N ALA A 11 -4.579 0.969 2.652 1.00 0.00 N ATOM 162 CA ALA A 11 -4.987 -0.388 3.114 1.00 0.00 C ATOM 163 C ALA A 11 -6.019 -0.971 2.143 1.00 0.00 C ATOM 164 O ALA A 11 -6.478 -2.083 2.309 1.00 0.00 O ATOM 165 CB ALA A 11 -5.600 -0.289 4.513 1.00 0.00 C ATOM 0 H ALA A 11 -5.099 1.744 3.065 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.112 -1.038 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.898 -1.282 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.865 0.124 5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.474 0.362 4.482 1.00 0.00 H new ATOM 171 N VAL A 12 -6.388 -0.230 1.134 1.00 0.00 N ATOM 172 CA VAL A 12 -7.388 -0.744 0.160 1.00 0.00 C ATOM 173 C VAL A 12 -6.774 -0.764 -1.243 1.00 0.00 C ATOM 174 O VAL A 12 -7.152 -1.555 -2.084 1.00 0.00 O ATOM 175 CB VAL A 12 -8.615 0.169 0.166 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.208 1.577 -0.272 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.658 -0.380 -0.804 1.00 0.00 C ATOM 0 H VAL A 12 -6.039 0.709 0.943 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.683 -1.755 0.440 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.033 0.208 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.083 2.227 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.460 1.970 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.790 1.539 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.534 0.269 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.237 -0.417 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.949 -1.384 -0.495 1.00 0.00 H new ATOM 187 N LEU A 13 -5.833 0.104 -1.504 1.00 0.00 N ATOM 188 CA LEU A 13 -5.202 0.136 -2.854 1.00 0.00 C ATOM 189 C LEU A 13 -4.010 -0.821 -2.890 1.00 0.00 C ATOM 190 O LEU A 13 -3.741 -1.453 -3.891 1.00 0.00 O ATOM 191 CB LEU A 13 -4.718 1.556 -3.163 1.00 0.00 C ATOM 192 CG LEU A 13 -5.765 2.292 -4.003 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.199 3.641 -4.451 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.114 1.456 -5.237 1.00 0.00 C ATOM 0 H LEU A 13 -5.475 0.791 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.937 -0.170 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.537 2.098 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.770 1.518 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.663 2.450 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.943 4.167 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.949 4.240 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.302 3.479 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.860 1.982 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.217 1.298 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.515 0.492 -4.922 1.00 0.00 H new ATOM 206 N LEU A 14 -3.289 -0.931 -1.809 1.00 0.00 N ATOM 207 CA LEU A 14 -2.115 -1.847 -1.791 1.00 0.00 C ATOM 208 C LEU A 14 -2.577 -3.269 -2.113 1.00 0.00 C ATOM 209 O LEU A 14 -2.064 -3.911 -3.008 1.00 0.00 O ATOM 210 CB LEU A 14 -1.462 -1.810 -0.408 1.00 0.00 C ATOM 211 CG LEU A 14 -0.835 -0.432 -0.188 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.197 -0.369 1.201 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.236 -0.188 -1.252 1.00 0.00 C ATOM 0 H LEU A 14 -3.462 -0.427 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.388 -1.529 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.204 -2.013 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.701 -2.586 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.608 0.333 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.248 0.614 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.960 -0.543 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.576 -1.133 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.685 0.793 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.006 -0.955 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.219 -0.228 -2.242 1.00 0.00 H new ATOM 225 N LYS A 15 -3.549 -3.767 -1.398 1.00 0.00 N ATOM 226 CA LYS A 15 -4.045 -5.145 -1.674 1.00 0.00 C ATOM 227 C LYS A 15 -4.686 -5.183 -3.064 1.00 0.00 C ATOM 228 O LYS A 15 -4.966 -6.238 -3.600 1.00 0.00 O ATOM 229 CB LYS A 15 -5.090 -5.534 -0.626 1.00 0.00 C ATOM 230 CG LYS A 15 -4.517 -5.320 0.775 1.00 0.00 C ATOM 231 CD LYS A 15 -5.659 -5.218 1.786 1.00 0.00 C ATOM 232 CE LYS A 15 -5.695 -6.484 2.643 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.314 -7.594 1.865 1.00 0.00 N ATOM 0 H LYS A 15 -4.020 -3.280 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.211 -5.846 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.991 -4.935 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.379 -6.577 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.857 -6.146 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.915 -4.411 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.522 -4.341 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.609 -5.090 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.685 -6.758 2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.265 -6.303 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.338 -8.455 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.283 -7.331 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.753 -7.772 1.008 1.00 0.00 H new ATOM 247 N LYS A 16 -4.924 -4.042 -3.650 1.00 0.00 N ATOM 248 CA LYS A 16 -5.552 -4.012 -5.002 1.00 0.00 C ATOM 249 C LYS A 16 -4.488 -4.257 -6.075 1.00 0.00 C ATOM 250 O LYS A 16 -4.687 -5.029 -6.992 1.00 0.00 O ATOM 251 CB LYS A 16 -6.202 -2.646 -5.233 1.00 0.00 C ATOM 252 CG LYS A 16 -6.955 -2.657 -6.565 1.00 0.00 C ATOM 253 CD LYS A 16 -8.071 -1.612 -6.532 1.00 0.00 C ATOM 254 CE LYS A 16 -8.695 -1.485 -7.923 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.463 -0.110 -8.449 1.00 0.00 N ATOM 0 H LYS A 16 -4.711 -3.128 -3.251 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.310 -4.793 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.888 -2.415 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.441 -1.866 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.268 -2.445 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.374 -3.646 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.831 -1.900 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.673 -0.649 -6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.259 -2.222 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.764 -1.691 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.887 -0.024 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.899 0.585 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.441 0.070 -8.511 1.00 0.00 H new ATOM 269 N ALA A 17 -3.362 -3.607 -5.971 1.00 0.00 N ATOM 270 CA ALA A 17 -2.292 -3.805 -6.989 1.00 0.00 C ATOM 271 C ALA A 17 -1.964 -5.295 -7.101 1.00 0.00 C ATOM 272 O ALA A 17 -1.868 -5.840 -8.183 1.00 0.00 O ATOM 273 CB ALA A 17 -1.038 -3.035 -6.572 1.00 0.00 C ATOM 0 H ALA A 17 -3.137 -2.948 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.638 -3.436 -7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.257 -3.181 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.272 -1.973 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.691 -3.401 -5.606 1.00 0.00 H new ATOM 279 N ALA A 18 -1.790 -5.959 -5.991 1.00 0.00 N ATOM 280 CA ALA A 18 -1.469 -7.412 -6.036 1.00 0.00 C ATOM 281 C ALA A 18 -2.744 -8.206 -6.331 1.00 0.00 C ATOM 282 O ALA A 18 -2.920 -8.736 -7.410 1.00 0.00 O ATOM 283 CB ALA A 18 -0.897 -7.850 -4.687 1.00 0.00 C ATOM 0 H ALA A 18 -1.856 -5.557 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.734 -7.598 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.662 -8.914 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.010 -7.284 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.631 -7.665 -3.903 1.00 0.00 H new ATOM 289 N GLY A 19 -3.635 -8.290 -5.380 1.00 0.00 N ATOM 290 CA GLY A 19 -4.898 -9.048 -5.609 1.00 0.00 C ATOM 291 C GLY A 19 -5.012 -10.175 -4.581 1.00 0.00 C ATOM 292 O GLY A 19 -4.613 -11.297 -4.828 1.00 0.00 O ATOM 0 H GLY A 19 -3.543 -7.867 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.755 -8.380 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.909 -9.460 -6.618 1.00 0.00 H new ATOM 485 N ALA A 33 1.180 -13.688 -2.183 1.00 0.00 N ATOM 486 CA ALA A 33 0.854 -12.278 -2.540 1.00 0.00 C ATOM 487 C ALA A 33 2.096 -11.402 -2.363 1.00 0.00 C ATOM 488 O ALA A 33 2.246 -10.715 -1.372 1.00 0.00 O ATOM 489 CB ALA A 33 -0.264 -11.768 -1.628 1.00 0.00 C ATOM 0 HA ALA A 33 0.527 -12.234 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.504 -10.737 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.150 -12.390 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.064 -11.814 -0.590 1.00 0.00 H new ATOM 495 N THR A 34 2.987 -11.418 -3.316 1.00 0.00 N ATOM 496 CA THR A 34 4.215 -10.583 -3.199 1.00 0.00 C ATOM 497 C THR A 34 4.044 -9.306 -4.022 1.00 0.00 C ATOM 498 O THR A 34 3.566 -9.335 -5.139 1.00 0.00 O ATOM 499 CB THR A 34 5.421 -11.365 -3.725 1.00 0.00 C ATOM 500 OG1 THR A 34 4.975 -12.379 -4.614 1.00 0.00 O ATOM 501 CG2 THR A 34 6.171 -11.999 -2.553 1.00 0.00 C ATOM 0 H THR A 34 2.918 -11.972 -4.169 1.00 0.00 H new ATOM 0 HA THR A 34 4.377 -10.326 -2.152 1.00 0.00 H new ATOM 0 HB THR A 34 6.091 -10.688 -4.256 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.746 -12.879 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.030 -12.556 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.514 -11.217 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.505 -12.677 -2.019 1.00 0.00 H new ATOM 509 N ILE A 35 4.434 -8.185 -3.482 1.00 0.00 N ATOM 510 CA ILE A 35 4.297 -6.908 -4.237 1.00 0.00 C ATOM 511 C ILE A 35 5.674 -6.256 -4.385 1.00 0.00 C ATOM 512 O ILE A 35 6.318 -5.912 -3.414 1.00 0.00 O ATOM 513 CB ILE A 35 3.360 -5.964 -3.482 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.958 -6.579 -3.425 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.297 -4.619 -4.209 1.00 0.00 C ATOM 516 CD1 ILE A 35 0.950 -5.524 -2.967 1.00 0.00 C ATOM 0 H ILE A 35 4.841 -8.098 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 35 3.883 -7.111 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 35 3.734 -5.812 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.678 -6.961 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.950 -7.426 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.629 -3.946 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.295 -4.182 -4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.922 -4.770 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.046 -5.965 -2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.226 -5.163 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.950 -4.691 -3.670 1.00 0.00 H new ATOM 528 N LYS A 36 6.133 -6.088 -5.597 1.00 0.00 N ATOM 529 CA LYS A 36 7.470 -5.464 -5.812 1.00 0.00 C ATOM 530 C LYS A 36 7.511 -4.088 -5.144 1.00 0.00 C ATOM 531 O LYS A 36 6.491 -3.479 -4.888 1.00 0.00 O ATOM 532 CB LYS A 36 7.723 -5.302 -7.312 1.00 0.00 C ATOM 533 CG LYS A 36 8.290 -6.603 -7.881 1.00 0.00 C ATOM 534 CD LYS A 36 8.201 -6.572 -9.408 1.00 0.00 C ATOM 535 CE LYS A 36 7.518 -7.846 -9.906 1.00 0.00 C ATOM 536 NZ LYS A 36 8.467 -8.991 -9.799 1.00 0.00 N ATOM 0 H LYS A 36 5.639 -6.357 -6.448 1.00 0.00 H new ATOM 0 HA LYS A 36 8.238 -6.103 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.795 -5.045 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.420 -4.483 -7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.327 -6.728 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.735 -7.456 -7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.640 -5.696 -9.732 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.199 -6.489 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.622 -8.045 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.198 -7.720 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.004 -9.859 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.309 -8.799 -10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.751 -9.115 -8.806 1.00 0.00 H new ATOM 550 N ARG A 37 8.685 -3.588 -4.871 1.00 0.00 N ATOM 551 CA ARG A 37 8.800 -2.250 -4.233 1.00 0.00 C ATOM 552 C ARG A 37 8.649 -1.180 -5.310 1.00 0.00 C ATOM 553 O ARG A 37 8.112 -0.116 -5.078 1.00 0.00 O ATOM 554 CB ARG A 37 10.173 -2.118 -3.572 1.00 0.00 C ATOM 555 CG ARG A 37 10.058 -1.318 -2.270 1.00 0.00 C ATOM 556 CD ARG A 37 8.974 -1.925 -1.376 1.00 0.00 C ATOM 557 NE ARG A 37 9.170 -1.469 0.031 1.00 0.00 N ATOM 558 CZ ARG A 37 10.353 -1.528 0.583 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.197 -2.453 0.221 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.688 -0.666 1.504 1.00 0.00 N ATOM 0 H ARG A 37 9.572 -4.052 -5.064 1.00 0.00 H new ATOM 0 HA ARG A 37 8.024 -2.129 -3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.582 -3.107 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.866 -1.623 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.015 -1.319 -1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.817 -0.278 -2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.987 -1.627 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.016 -3.013 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 37 8.378 -1.110 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.934 -3.132 -0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.120 -2.498 0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.026 0.054 1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.612 -0.713 1.934 1.00 0.00 H new ATOM 574 N ASP A 38 9.120 -1.460 -6.493 1.00 0.00 N ATOM 575 CA ASP A 38 9.003 -0.466 -7.593 1.00 0.00 C ATOM 576 C ASP A 38 7.525 -0.222 -7.899 1.00 0.00 C ATOM 577 O ASP A 38 7.164 0.754 -8.526 1.00 0.00 O ATOM 578 CB ASP A 38 9.703 -1.003 -8.842 1.00 0.00 C ATOM 579 CG ASP A 38 11.062 -1.586 -8.453 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.572 -1.205 -7.413 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.570 -2.404 -9.202 1.00 0.00 O ATOM 0 H ASP A 38 9.581 -2.335 -6.745 1.00 0.00 H new ATOM 0 HA ASP A 38 9.472 0.471 -7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.089 -1.769 -9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.833 -0.203 -9.571 1.00 0.00 H new ATOM 586 N LYS A 39 6.667 -1.102 -7.460 1.00 0.00 N ATOM 587 CA LYS A 39 5.211 -0.920 -7.726 1.00 0.00 C ATOM 588 C LYS A 39 4.534 -0.351 -6.478 1.00 0.00 C ATOM 589 O LYS A 39 3.987 0.734 -6.497 1.00 0.00 O ATOM 590 CB LYS A 39 4.580 -2.269 -8.078 1.00 0.00 C ATOM 591 CG LYS A 39 3.746 -2.123 -9.353 1.00 0.00 C ATOM 592 CD LYS A 39 2.472 -2.963 -9.231 1.00 0.00 C ATOM 593 CE LYS A 39 1.258 -2.038 -9.117 1.00 0.00 C ATOM 594 NZ LYS A 39 0.981 -1.416 -10.442 1.00 0.00 N ATOM 0 H LYS A 39 6.910 -1.938 -6.929 1.00 0.00 H new ATOM 0 HA LYS A 39 5.078 -0.231 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.357 -3.020 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.952 -2.614 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.489 -1.076 -9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.325 -2.446 -10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.367 -3.612 -10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.533 -3.610 -8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.388 -2.602 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.446 -1.264 -8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.023 -1.012 -10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.674 -0.662 -10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.053 -2.139 -11.187 1.00 0.00 H new ATOM 608 N VAL A 40 4.567 -1.072 -5.391 1.00 0.00 N ATOM 609 CA VAL A 40 3.924 -0.570 -4.145 1.00 0.00 C ATOM 610 C VAL A 40 4.345 0.888 -3.913 1.00 0.00 C ATOM 611 O VAL A 40 3.545 1.728 -3.548 1.00 0.00 O ATOM 612 CB VAL A 40 4.348 -1.460 -2.957 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.547 -0.852 -2.217 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.171 -1.599 -1.988 1.00 0.00 C ATOM 0 H VAL A 40 5.011 -1.987 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 40 2.839 -0.610 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 40 4.639 -2.438 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.826 -1.498 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.389 -0.759 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.278 0.134 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.465 -2.227 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.883 -0.614 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.327 -2.056 -2.504 1.00 0.00 H new ATOM 624 N ARG A 41 5.598 1.187 -4.122 1.00 0.00 N ATOM 625 CA ARG A 41 6.082 2.580 -3.914 1.00 0.00 C ATOM 626 C ARG A 41 5.269 3.546 -4.778 1.00 0.00 C ATOM 627 O ARG A 41 4.600 4.424 -4.276 1.00 0.00 O ATOM 628 CB ARG A 41 7.558 2.669 -4.305 1.00 0.00 C ATOM 629 CG ARG A 41 8.103 4.050 -3.930 1.00 0.00 C ATOM 630 CD ARG A 41 8.387 4.851 -5.202 1.00 0.00 C ATOM 631 NE ARG A 41 9.459 4.176 -5.987 1.00 0.00 N ATOM 632 CZ ARG A 41 10.515 4.847 -6.361 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.305 5.372 -5.466 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.781 4.991 -7.631 1.00 0.00 N ATOM 0 H ARG A 41 6.309 0.524 -4.429 1.00 0.00 H new ATOM 0 HA ARG A 41 5.963 2.849 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.127 1.891 -3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.672 2.499 -5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.382 4.580 -3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.015 3.945 -3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.481 4.935 -5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.694 5.865 -4.945 1.00 0.00 H new ATOM 0 HE ARG A 41 9.368 3.190 -6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.098 5.259 -4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.130 5.896 -5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.164 4.579 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.606 5.515 -7.923 1.00 0.00 H new ATOM 648 N GLU A 42 5.325 3.391 -6.074 1.00 0.00 N ATOM 649 CA GLU A 42 4.559 4.305 -6.972 1.00 0.00 C ATOM 650 C GLU A 42 3.164 4.555 -6.394 1.00 0.00 C ATOM 651 O GLU A 42 2.710 5.679 -6.310 1.00 0.00 O ATOM 652 CB GLU A 42 4.431 3.669 -8.358 1.00 0.00 C ATOM 653 CG GLU A 42 5.706 3.931 -9.161 1.00 0.00 C ATOM 654 CD GLU A 42 5.448 5.038 -10.184 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.318 5.154 -10.630 1.00 0.00 O ATOM 656 OE2 GLU A 42 6.384 5.750 -10.506 1.00 0.00 O ATOM 0 H GLU A 42 5.868 2.671 -6.550 1.00 0.00 H new ATOM 0 HA GLU A 42 5.088 5.254 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.263 2.596 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.568 4.082 -8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.516 4.221 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.023 3.020 -9.668 1.00 0.00 H new ATOM 663 N ILE A 43 2.479 3.520 -5.994 1.00 0.00 N ATOM 664 CA ILE A 43 1.114 3.704 -5.425 1.00 0.00 C ATOM 665 C ILE A 43 1.153 4.785 -4.340 1.00 0.00 C ATOM 666 O ILE A 43 0.432 5.764 -4.396 1.00 0.00 O ATOM 667 CB ILE A 43 0.637 2.386 -4.812 1.00 0.00 C ATOM 668 CG1 ILE A 43 0.550 1.319 -5.907 1.00 0.00 C ATOM 669 CG2 ILE A 43 -0.744 2.584 -4.184 1.00 0.00 C ATOM 670 CD1 ILE A 43 0.028 0.012 -5.305 1.00 0.00 C ATOM 0 H ILE A 43 2.805 2.554 -6.036 1.00 0.00 H new ATOM 0 HA ILE A 43 0.429 4.008 -6.216 1.00 0.00 H new ATOM 0 HB ILE A 43 1.342 2.066 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.112 1.655 -6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.532 1.160 -6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.083 1.645 -3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.684 3.345 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.450 2.904 -4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.034 -0.748 -6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.708 -0.325 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.962 0.177 -4.879 1.00 0.00 H new ATOM 682 N ALA A 44 1.990 4.615 -3.353 1.00 0.00 N ATOM 683 CA ALA A 44 2.071 5.633 -2.268 1.00 0.00 C ATOM 684 C ALA A 44 2.357 7.008 -2.878 1.00 0.00 C ATOM 685 O ALA A 44 1.840 8.013 -2.433 1.00 0.00 O ATOM 686 CB ALA A 44 3.194 5.261 -1.298 1.00 0.00 C ATOM 0 H ALA A 44 2.619 3.818 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 44 1.124 5.664 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.252 6.007 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.989 4.283 -0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.142 5.228 -1.835 1.00 0.00 H new ATOM 692 N GLU A 45 3.171 7.058 -3.895 1.00 0.00 N ATOM 693 CA GLU A 45 3.483 8.367 -4.533 1.00 0.00 C ATOM 694 C GLU A 45 2.184 8.998 -5.036 1.00 0.00 C ATOM 695 O GLU A 45 1.992 10.196 -4.959 1.00 0.00 O ATOM 696 CB GLU A 45 4.436 8.151 -5.711 1.00 0.00 C ATOM 697 CG GLU A 45 5.351 9.371 -5.854 1.00 0.00 C ATOM 698 CD GLU A 45 6.678 8.945 -6.485 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.690 7.931 -7.164 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.658 9.641 -6.280 1.00 0.00 O ATOM 0 H GLU A 45 3.633 6.250 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 45 3.957 9.026 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.032 7.252 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.869 7.998 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.870 10.129 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.529 9.821 -4.878 1.00 0.00 H new ATOM 707 N LEU A 46 1.287 8.199 -5.545 1.00 0.00 N ATOM 708 CA LEU A 46 -0.002 8.748 -6.046 1.00 0.00 C ATOM 709 C LEU A 46 -0.764 9.380 -4.880 1.00 0.00 C ATOM 710 O LEU A 46 -1.349 10.437 -5.006 1.00 0.00 O ATOM 711 CB LEU A 46 -0.840 7.618 -6.646 1.00 0.00 C ATOM 712 CG LEU A 46 -0.334 7.300 -8.053 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.486 5.803 -8.324 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.153 8.090 -9.076 1.00 0.00 C ATOM 0 H LEU A 46 1.392 7.188 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 46 0.193 9.500 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.777 6.731 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.890 7.909 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 46 0.717 7.577 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.125 5.576 -9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.095 5.240 -7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.537 5.524 -8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.795 7.865 -10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.204 7.811 -8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.045 9.157 -8.882 1.00 0.00 H new ATOM 726 N LYS A 47 -0.758 8.737 -3.745 1.00 0.00 N ATOM 727 CA LYS A 47 -1.481 9.300 -2.570 1.00 0.00 C ATOM 728 C LYS A 47 -0.487 10.021 -1.655 1.00 0.00 C ATOM 729 O LYS A 47 -0.705 10.152 -0.468 1.00 0.00 O ATOM 730 CB LYS A 47 -2.157 8.167 -1.796 1.00 0.00 C ATOM 731 CG LYS A 47 -2.739 7.152 -2.783 1.00 0.00 C ATOM 732 CD LYS A 47 -2.018 5.811 -2.625 1.00 0.00 C ATOM 733 CE LYS A 47 -2.270 5.255 -1.222 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.689 4.812 -1.110 1.00 0.00 N ATOM 0 H LYS A 47 -0.285 7.848 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.236 10.007 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.436 7.680 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.947 8.567 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.807 7.026 -2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.629 7.518 -3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.373 5.105 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.948 5.940 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.600 4.418 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.056 6.018 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.062 5.074 -0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.256 5.273 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.741 3.780 -1.227 1.00 0.00 H new ATOM 748 N MET A 48 0.602 10.488 -2.200 1.00 0.00 N ATOM 749 CA MET A 48 1.609 11.199 -1.363 1.00 0.00 C ATOM 750 C MET A 48 1.022 12.517 -0.846 1.00 0.00 C ATOM 751 O MET A 48 1.110 12.807 0.332 1.00 0.00 O ATOM 752 CB MET A 48 2.863 11.486 -2.195 1.00 0.00 C ATOM 753 CG MET A 48 4.108 11.301 -1.326 1.00 0.00 C ATOM 754 SD MET A 48 4.590 12.893 -0.614 1.00 0.00 S ATOM 755 CE MET A 48 5.459 13.537 -2.065 1.00 0.00 C ATOM 0 H MET A 48 0.838 10.408 -3.189 1.00 0.00 H new ATOM 0 HA MET A 48 1.875 10.569 -0.514 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.903 10.816 -3.054 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.828 12.503 -2.586 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.907 10.582 -0.532 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.925 10.896 -1.924 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.025 14.426 -1.786 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.141 12.778 -2.447 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.735 13.796 -2.838 1.00 0.00 H new ATOM 765 N PRO A 49 0.445 13.284 -1.739 1.00 0.00 N ATOM 766 CA PRO A 49 -0.158 14.585 -1.393 1.00 0.00 C ATOM 767 C PRO A 49 -1.563 14.407 -0.803 1.00 0.00 C ATOM 768 O PRO A 49 -2.397 15.284 -0.906 1.00 0.00 O ATOM 769 CB PRO A 49 -0.235 15.310 -2.739 1.00 0.00 C ATOM 770 CG PRO A 49 -0.221 14.211 -3.830 1.00 0.00 C ATOM 771 CD PRO A 49 0.345 12.939 -3.173 1.00 0.00 C ATOM 0 HA PRO A 49 0.417 15.126 -0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.142 15.911 -2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.608 15.990 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.226 14.034 -4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.394 14.515 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.311 12.083 -3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.318 12.676 -3.588 1.00 0.00 H new ATOM 779 N ASP A 50 -1.841 13.289 -0.188 1.00 0.00 N ATOM 780 CA ASP A 50 -3.200 13.089 0.394 1.00 0.00 C ATOM 781 C ASP A 50 -3.094 12.343 1.726 1.00 0.00 C ATOM 782 O ASP A 50 -4.006 11.652 2.136 1.00 0.00 O ATOM 783 CB ASP A 50 -4.056 12.279 -0.581 1.00 0.00 C ATOM 784 CG ASP A 50 -4.852 13.233 -1.475 1.00 0.00 C ATOM 785 OD1 ASP A 50 -5.725 13.909 -0.957 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.573 13.271 -2.662 1.00 0.00 O ATOM 0 H ASP A 50 -1.192 12.512 -0.064 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.663 14.061 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.422 11.636 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.735 11.627 -0.031 1.00 0.00 H new ATOM 791 N LEU A 51 -1.991 12.480 2.410 1.00 0.00 N ATOM 792 CA LEU A 51 -1.834 11.783 3.718 1.00 0.00 C ATOM 793 C LEU A 51 -0.643 12.379 4.471 1.00 0.00 C ATOM 794 O LEU A 51 0.140 11.674 5.075 1.00 0.00 O ATOM 795 CB LEU A 51 -1.615 10.274 3.512 1.00 0.00 C ATOM 796 CG LEU A 51 -1.097 9.975 2.098 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.432 9.948 2.108 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.625 8.609 1.652 1.00 0.00 C ATOM 0 H LEU A 51 -1.192 13.044 2.120 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.746 11.921 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.902 9.904 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.552 9.742 3.679 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.440 10.748 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.799 9.736 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.811 10.916 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.778 9.173 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.262 8.389 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.275 7.841 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.715 8.624 1.648 1.00 0.00 H new ATOM 810 N ASN A 52 -0.508 13.678 4.446 1.00 0.00 N ATOM 811 CA ASN A 52 0.624 14.329 5.164 1.00 0.00 C ATOM 812 C ASN A 52 1.926 13.584 4.861 1.00 0.00 C ATOM 813 O ASN A 52 2.500 12.946 5.721 1.00 0.00 O ATOM 814 CB ASN A 52 0.354 14.295 6.669 1.00 0.00 C ATOM 815 CG ASN A 52 0.040 15.708 7.164 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.901 15.909 7.905 1.00 0.00 O ATOM 817 ND2 ASN A 52 0.792 16.704 6.780 1.00 0.00 N ATOM 0 H ASN A 52 -1.135 14.317 3.958 1.00 0.00 H new ATOM 0 HA ASN A 52 0.717 15.363 4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.482 13.629 6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.222 13.898 7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.589 17.650 7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.582 16.536 6.158 1.00 0.00 H new ATOM 824 N ALA A 53 2.399 13.663 3.647 1.00 0.00 N ATOM 825 CA ALA A 53 3.665 12.962 3.295 1.00 0.00 C ATOM 826 C ALA A 53 4.680 13.978 2.765 1.00 0.00 C ATOM 827 O ALA A 53 4.500 14.556 1.712 1.00 0.00 O ATOM 828 CB ALA A 53 3.385 11.911 2.221 1.00 0.00 C ATOM 0 H ALA A 53 1.963 14.182 2.885 1.00 0.00 H new ATOM 0 HA ALA A 53 4.069 12.474 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.312 11.398 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.663 11.188 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.980 12.397 1.333 1.00 0.00 H new ATOM 834 N ALA A 54 5.744 14.199 3.487 1.00 0.00 N ATOM 835 CA ALA A 54 6.769 15.177 3.023 1.00 0.00 C ATOM 836 C ALA A 54 7.556 14.574 1.858 1.00 0.00 C ATOM 837 O ALA A 54 8.234 15.271 1.127 1.00 0.00 O ATOM 838 CB ALA A 54 7.726 15.497 4.174 1.00 0.00 C ATOM 0 H ALA A 54 5.948 13.745 4.377 1.00 0.00 H new ATOM 0 HA ALA A 54 6.277 16.093 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.476 16.212 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.165 15.925 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.219 14.582 4.502 1.00 0.00 H new ATOM 844 N SER A 55 7.473 13.285 1.679 1.00 0.00 N ATOM 845 CA SER A 55 8.215 12.636 0.562 1.00 0.00 C ATOM 846 C SER A 55 7.882 11.143 0.532 1.00 0.00 C ATOM 847 O SER A 55 7.072 10.662 1.299 1.00 0.00 O ATOM 848 CB SER A 55 9.719 12.820 0.773 1.00 0.00 C ATOM 849 OG SER A 55 10.044 12.524 2.125 1.00 0.00 O ATOM 0 H SER A 55 6.922 12.652 2.259 1.00 0.00 H new ATOM 0 HA SER A 55 7.924 13.093 -0.384 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.275 12.165 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.009 13.843 0.533 1.00 0.00 H new ATOM 0 HG SER A 55 11.007 12.639 2.263 1.00 0.00 H new ATOM 855 N ILE A 56 8.501 10.403 -0.348 1.00 0.00 N ATOM 856 CA ILE A 56 8.219 8.941 -0.423 1.00 0.00 C ATOM 857 C ILE A 56 8.606 8.284 0.901 1.00 0.00 C ATOM 858 O ILE A 56 7.875 7.482 1.443 1.00 0.00 O ATOM 859 CB ILE A 56 9.038 8.322 -1.553 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.632 8.954 -2.885 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.783 6.814 -1.606 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.110 8.893 -3.036 1.00 0.00 C ATOM 0 H ILE A 56 9.189 10.747 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 56 7.158 8.784 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 56 10.097 8.504 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.971 9.989 -2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.111 8.428 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.369 6.374 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.075 6.362 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.724 6.630 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.820 9.343 -3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.783 7.853 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.641 9.439 -2.217 1.00 0.00 H new ATOM 874 N GLU A 57 9.753 8.617 1.427 1.00 0.00 N ATOM 875 CA GLU A 57 10.180 8.010 2.717 1.00 0.00 C ATOM 876 C GLU A 57 8.992 7.995 3.680 1.00 0.00 C ATOM 877 O GLU A 57 8.880 7.139 4.533 1.00 0.00 O ATOM 878 CB GLU A 57 11.317 8.837 3.321 1.00 0.00 C ATOM 879 CG GLU A 57 12.403 9.058 2.266 1.00 0.00 C ATOM 880 CD GLU A 57 13.781 8.867 2.904 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.962 7.873 3.588 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.630 9.718 2.698 1.00 0.00 O ATOM 0 H GLU A 57 10.411 9.282 1.020 1.00 0.00 H new ATOM 0 HA GLU A 57 10.528 6.991 2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.936 9.796 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.735 8.323 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.272 8.357 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.320 10.061 1.848 1.00 0.00 H new ATOM 889 N ALA A 58 8.099 8.938 3.544 1.00 0.00 N ATOM 890 CA ALA A 58 6.913 8.980 4.444 1.00 0.00 C ATOM 891 C ALA A 58 5.763 8.185 3.817 1.00 0.00 C ATOM 892 O ALA A 58 4.978 7.565 4.507 1.00 0.00 O ATOM 893 CB ALA A 58 6.477 10.432 4.646 1.00 0.00 C ATOM 0 H ALA A 58 8.141 9.682 2.847 1.00 0.00 H new ATOM 0 HA ALA A 58 7.174 8.541 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.609 10.463 5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.293 10.998 5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.217 10.871 3.683 1.00 0.00 H new ATOM 899 N ALA A 59 5.651 8.205 2.515 1.00 0.00 N ATOM 900 CA ALA A 59 4.543 7.459 1.851 1.00 0.00 C ATOM 901 C ALA A 59 4.875 5.964 1.796 1.00 0.00 C ATOM 902 O ALA A 59 4.209 5.148 2.402 1.00 0.00 O ATOM 903 CB ALA A 59 4.353 7.990 0.430 1.00 0.00 C ATOM 0 H ALA A 59 6.278 8.705 1.884 1.00 0.00 H new ATOM 0 HA ALA A 59 3.626 7.600 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.544 7.446 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.106 9.051 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.274 7.852 -0.136 1.00 0.00 H new ATOM 909 N MET A 60 5.898 5.599 1.074 1.00 0.00 N ATOM 910 CA MET A 60 6.264 4.159 0.985 1.00 0.00 C ATOM 911 C MET A 60 6.325 3.584 2.395 1.00 0.00 C ATOM 912 O MET A 60 6.098 2.411 2.612 1.00 0.00 O ATOM 913 CB MET A 60 7.630 4.018 0.314 1.00 0.00 C ATOM 914 CG MET A 60 7.833 2.568 -0.127 1.00 0.00 C ATOM 915 SD MET A 60 9.489 2.019 0.352 1.00 0.00 S ATOM 916 CE MET A 60 10.345 2.545 -1.153 1.00 0.00 C ATOM 0 H MET A 60 6.494 6.234 0.543 1.00 0.00 H new ATOM 0 HA MET A 60 5.521 3.621 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.695 4.684 -0.547 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.419 4.313 1.006 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.079 1.928 0.332 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.708 2.484 -1.207 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.404 2.299 -1.074 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.916 2.032 -2.014 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.231 3.622 -1.279 1.00 0.00 H new ATOM 926 N ARG A 61 6.625 4.409 3.357 1.00 0.00 N ATOM 927 CA ARG A 61 6.695 3.921 4.756 1.00 0.00 C ATOM 928 C ARG A 61 5.338 3.342 5.151 1.00 0.00 C ATOM 929 O ARG A 61 5.241 2.236 5.644 1.00 0.00 O ATOM 930 CB ARG A 61 7.046 5.084 5.682 1.00 0.00 C ATOM 931 CG ARG A 61 7.026 4.597 7.125 1.00 0.00 C ATOM 932 CD ARG A 61 6.858 5.790 8.068 1.00 0.00 C ATOM 933 NE ARG A 61 6.519 5.297 9.432 1.00 0.00 N ATOM 934 CZ ARG A 61 5.630 4.352 9.582 1.00 0.00 C ATOM 935 NH1 ARG A 61 4.462 4.459 9.010 1.00 0.00 N ATOM 936 NH2 ARG A 61 5.911 3.301 10.301 1.00 0.00 N ATOM 0 H ARG A 61 6.825 5.401 3.232 1.00 0.00 H new ATOM 0 HA ARG A 61 7.460 3.150 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.031 5.479 5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.333 5.898 5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.210 3.889 7.269 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.951 4.068 7.353 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.777 6.376 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.071 6.450 7.702 1.00 0.00 H new ATOM 0 HE ARG A 61 6.981 5.697 10.249 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.244 5.280 8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.767 3.721 9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.825 3.217 10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.217 2.563 10.418 1.00 0.00 H new ATOM 950 N MET A 62 4.288 4.079 4.926 1.00 0.00 N ATOM 951 CA MET A 62 2.933 3.572 5.274 1.00 0.00 C ATOM 952 C MET A 62 2.572 2.428 4.327 1.00 0.00 C ATOM 953 O MET A 62 1.659 1.666 4.572 1.00 0.00 O ATOM 954 CB MET A 62 1.908 4.699 5.125 1.00 0.00 C ATOM 955 CG MET A 62 2.554 6.032 5.502 1.00 0.00 C ATOM 956 SD MET A 62 1.265 7.226 5.938 1.00 0.00 S ATOM 957 CE MET A 62 2.175 8.719 5.471 1.00 0.00 C ATOM 0 H MET A 62 4.310 5.012 4.515 1.00 0.00 H new ATOM 0 HA MET A 62 2.928 3.216 6.304 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.542 4.738 4.099 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.046 4.507 5.764 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.235 5.894 6.342 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.147 6.409 4.669 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.556 9.596 5.660 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.090 8.787 6.060 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.428 8.674 4.412 1.00 0.00 H new ATOM 967 N ILE A 63 3.286 2.307 3.242 1.00 0.00 N ATOM 968 CA ILE A 63 2.994 1.217 2.270 1.00 0.00 C ATOM 969 C ILE A 63 3.620 -0.088 2.762 1.00 0.00 C ATOM 970 O ILE A 63 3.123 -1.165 2.497 1.00 0.00 O ATOM 971 CB ILE A 63 3.581 1.588 0.907 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.887 2.847 0.370 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.375 0.436 -0.075 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.381 2.772 0.639 1.00 0.00 C ATOM 0 H ILE A 63 4.061 2.918 2.986 1.00 0.00 H new ATOM 0 HA ILE A 63 1.916 1.085 2.179 1.00 0.00 H new ATOM 0 HB ILE A 63 4.648 1.782 1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.306 3.734 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.069 2.944 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.795 0.705 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.874 -0.457 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.309 0.237 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.898 3.670 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.966 1.895 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.206 2.697 1.712 1.00 0.00 H new ATOM 986 N GLU A 64 4.706 -0.004 3.479 1.00 0.00 N ATOM 987 CA GLU A 64 5.357 -1.243 3.988 1.00 0.00 C ATOM 988 C GLU A 64 4.761 -1.599 5.351 1.00 0.00 C ATOM 989 O GLU A 64 4.677 -2.752 5.720 1.00 0.00 O ATOM 990 CB GLU A 64 6.863 -1.012 4.127 1.00 0.00 C ATOM 991 CG GLU A 64 7.114 0.189 5.041 1.00 0.00 C ATOM 992 CD GLU A 64 8.602 0.262 5.389 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.410 0.044 4.500 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.910 0.535 6.538 1.00 0.00 O ATOM 0 H GLU A 64 5.170 0.868 3.734 1.00 0.00 H new ATOM 0 HA GLU A 64 5.185 -2.062 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.341 -1.901 4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.306 -0.835 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.800 1.108 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.521 0.098 5.951 1.00 0.00 H new ATOM 1001 N GLY A 65 4.338 -0.617 6.097 1.00 0.00 N ATOM 1002 CA GLY A 65 3.736 -0.904 7.429 1.00 0.00 C ATOM 1003 C GLY A 65 2.294 -1.372 7.230 1.00 0.00 C ATOM 1004 O GLY A 65 1.780 -2.179 7.980 1.00 0.00 O ATOM 0 H GLY A 65 4.383 0.370 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.313 -1.670 7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.760 -0.011 8.054 1.00 0.00 H new ATOM 1008 N THR A 66 1.641 -0.871 6.218 1.00 0.00 N ATOM 1009 CA THR A 66 0.233 -1.278 5.954 1.00 0.00 C ATOM 1010 C THR A 66 0.215 -2.493 5.023 1.00 0.00 C ATOM 1011 O THR A 66 -0.576 -3.401 5.188 1.00 0.00 O ATOM 1012 CB THR A 66 -0.514 -0.118 5.292 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.213 1.088 5.982 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.020 -0.377 5.346 1.00 0.00 C ATOM 0 H THR A 66 2.025 -0.193 5.559 1.00 0.00 H new ATOM 0 HA THR A 66 -0.253 -1.537 6.895 1.00 0.00 H new ATOM 0 HB THR A 66 -0.203 -0.032 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.439 1.606 5.466 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.549 0.451 4.874 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.249 -1.302 4.818 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.337 -0.464 6.385 1.00 0.00 H new ATOM 1022 N ALA A 67 1.081 -2.521 4.045 1.00 0.00 N ATOM 1023 CA ALA A 67 1.108 -3.681 3.108 1.00 0.00 C ATOM 1024 C ALA A 67 2.065 -4.745 3.644 1.00 0.00 C ATOM 1025 O ALA A 67 2.762 -5.402 2.896 1.00 0.00 O ATOM 1026 CB ALA A 67 1.583 -3.219 1.727 1.00 0.00 C ATOM 0 H ALA A 67 1.769 -1.792 3.855 1.00 0.00 H new ATOM 0 HA ALA A 67 0.105 -4.099 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.601 -4.069 1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.901 -2.460 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.585 -2.798 1.809 1.00 0.00 H new ATOM 1032 N ARG A 68 2.107 -4.921 4.936 1.00 0.00 N ATOM 1033 CA ARG A 68 3.021 -5.941 5.520 1.00 0.00 C ATOM 1034 C ARG A 68 2.258 -6.786 6.542 1.00 0.00 C ATOM 1035 O ARG A 68 2.216 -7.996 6.451 1.00 0.00 O ATOM 1036 CB ARG A 68 4.190 -5.234 6.210 1.00 0.00 C ATOM 1037 CG ARG A 68 4.960 -6.233 7.075 1.00 0.00 C ATOM 1038 CD ARG A 68 6.462 -6.015 6.886 1.00 0.00 C ATOM 1039 NE ARG A 68 6.870 -4.756 7.572 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.125 -4.407 7.600 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.745 -4.113 6.490 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.762 -4.352 8.738 1.00 0.00 N ATOM 0 H ARG A 68 1.547 -4.402 5.612 1.00 0.00 H new ATOM 0 HA ARG A 68 3.401 -6.588 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.854 -4.797 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.819 -4.415 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.692 -6.105 8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.692 -7.253 6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.017 -6.860 7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.702 -5.958 5.824 1.00 0.00 H new ATOM 0 HE ARG A 68 6.167 -4.168 8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.247 -4.156 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.727 -3.840 6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.277 -4.582 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.744 -4.079 8.760 1.00 0.00 H new ATOM 1056 N SER A 69 1.651 -6.158 7.511 1.00 0.00 N ATOM 1057 CA SER A 69 0.890 -6.928 8.535 1.00 0.00 C ATOM 1058 C SER A 69 -0.557 -7.099 8.072 1.00 0.00 C ATOM 1059 O SER A 69 -1.466 -7.205 8.871 1.00 0.00 O ATOM 1060 CB SER A 69 0.914 -6.169 9.862 1.00 0.00 C ATOM 1061 OG SER A 69 0.633 -7.072 10.924 1.00 0.00 O ATOM 0 H SER A 69 1.649 -5.146 7.638 1.00 0.00 H new ATOM 0 HA SER A 69 1.347 -7.909 8.668 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.889 -5.705 10.012 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.178 -5.365 9.848 1.00 0.00 H new ATOM 0 HG SER A 69 -0.206 -7.544 10.739 1.00 0.00 H new ATOM 1067 N MET A 70 -0.781 -7.128 6.786 1.00 0.00 N ATOM 1068 CA MET A 70 -2.170 -7.293 6.276 1.00 0.00 C ATOM 1069 C MET A 70 -2.270 -8.592 5.473 1.00 0.00 C ATOM 1070 O MET A 70 -3.347 -9.088 5.207 1.00 0.00 O ATOM 1071 CB MET A 70 -2.529 -6.105 5.380 1.00 0.00 C ATOM 1072 CG MET A 70 -3.370 -5.103 6.173 1.00 0.00 C ATOM 1073 SD MET A 70 -4.581 -4.327 5.077 1.00 0.00 S ATOM 1074 CE MET A 70 -3.428 -3.846 3.769 1.00 0.00 C ATOM 0 H MET A 70 -0.062 -7.044 6.068 1.00 0.00 H new ATOM 0 HA MET A 70 -2.863 -7.335 7.116 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.622 -5.625 5.014 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.082 -6.449 4.506 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.879 -5.609 6.994 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.726 -4.343 6.617 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.912 -3.133 3.101 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.546 -3.385 4.213 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.131 -4.729 3.203 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.155 -9.152 5.088 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.191 -10.422 4.308 1.00 0.00 C ATOM 1086 C GLY A 71 -0.425 -10.250 2.994 1.00 0.00 C ATOM 1087 O GLY A 71 -0.505 -11.077 2.107 1.00 0.00 O ATOM 0 H GLY A 71 -0.223 -8.786 5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.751 -11.230 4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.224 -10.703 4.103 1.00 0.00 H new ATOM 1091 N ILE A 72 0.319 -9.185 2.858 1.00 0.00 N ATOM 1092 CA ILE A 72 1.084 -8.971 1.597 1.00 0.00 C ATOM 1093 C ILE A 72 2.539 -8.633 1.926 1.00 0.00 C ATOM 1094 O ILE A 72 2.820 -7.886 2.842 1.00 0.00 O ATOM 1095 CB ILE A 72 0.469 -7.813 0.812 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -1.045 -8.007 0.714 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.068 -7.772 -0.594 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.707 -6.668 0.381 1.00 0.00 C ATOM 0 H ILE A 72 0.430 -8.457 3.563 1.00 0.00 H new ATOM 0 HA ILE A 72 1.045 -9.882 1.000 1.00 0.00 H new ATOM 0 HB ILE A 72 0.683 -6.876 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.280 -8.743 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.435 -8.394 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.629 -6.946 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.147 -7.631 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.856 -8.710 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.786 -6.803 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.482 -5.946 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.325 -6.300 -0.571 1.00 0.00 H new ATOM 1110 N VAL A 73 3.465 -9.167 1.178 1.00 0.00 N ATOM 1111 CA VAL A 73 4.899 -8.864 1.440 1.00 0.00 C ATOM 1112 C VAL A 73 5.380 -7.830 0.416 1.00 0.00 C ATOM 1113 O VAL A 73 4.657 -7.459 -0.488 1.00 0.00 O ATOM 1114 CB VAL A 73 5.725 -10.161 1.339 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.280 -10.349 -0.078 1.00 0.00 C ATOM 1116 CG2 VAL A 73 6.885 -10.097 2.334 1.00 0.00 C ATOM 0 H VAL A 73 3.290 -9.800 0.397 1.00 0.00 H new ATOM 0 HA VAL A 73 5.024 -8.456 2.443 1.00 0.00 H new ATOM 0 HB VAL A 73 5.076 -11.006 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.859 -11.271 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.455 -10.404 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.922 -9.505 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.473 -11.012 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.518 -9.241 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.492 -9.992 3.345 1.00 0.00 H new ATOM 1126 N VAL A 74 6.590 -7.365 0.541 1.00 0.00 N ATOM 1127 CA VAL A 74 7.096 -6.363 -0.436 1.00 0.00 C ATOM 1128 C VAL A 74 8.566 -6.666 -0.753 1.00 0.00 C ATOM 1129 O VAL A 74 9.363 -6.907 0.132 1.00 0.00 O ATOM 1130 CB VAL A 74 6.934 -4.948 0.155 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.262 -4.423 0.714 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.435 -3.998 -0.934 1.00 0.00 C ATOM 0 H VAL A 74 7.248 -7.633 1.273 1.00 0.00 H new ATOM 0 HA VAL A 74 6.525 -6.415 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 74 6.214 -4.999 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.115 -3.424 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.614 -5.089 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.002 -4.382 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.320 -2.997 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.156 -3.971 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.473 -4.348 -1.310 1.00 0.00 H new ATOM 1142 N GLU A 75 8.930 -6.654 -2.004 1.00 0.00 N ATOM 1143 CA GLU A 75 10.345 -6.939 -2.367 1.00 0.00 C ATOM 1144 C GLU A 75 11.166 -5.656 -2.237 1.00 0.00 C ATOM 1145 O GLU A 75 10.644 -4.607 -1.916 1.00 0.00 O ATOM 1146 CB GLU A 75 10.412 -7.448 -3.808 1.00 0.00 C ATOM 1147 CG GLU A 75 9.241 -8.397 -4.071 1.00 0.00 C ATOM 1148 CD GLU A 75 9.680 -9.491 -5.047 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.395 -9.171 -5.982 1.00 0.00 O ATOM 1150 OE2 GLU A 75 9.294 -10.630 -4.842 1.00 0.00 O ATOM 0 H GLU A 75 8.310 -6.459 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 75 10.748 -7.700 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.377 -6.609 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.357 -7.964 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.904 -8.843 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.397 -7.844 -4.483 1.00 0.00 H new ATOM 1157 N ASP A 76 12.443 -5.729 -2.481 1.00 0.00 N ATOM 1158 CA ASP A 76 13.293 -4.509 -2.370 1.00 0.00 C ATOM 1159 C ASP A 76 14.539 -4.674 -3.243 1.00 0.00 C ATOM 1160 O ASP A 76 14.401 -4.625 -4.454 1.00 0.00 O ATOM 1161 CB ASP A 76 13.716 -4.310 -0.912 1.00 0.00 C ATOM 1162 CG ASP A 76 14.098 -2.846 -0.687 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.338 -1.985 -1.099 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.144 -2.610 -0.105 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.610 -4.845 -2.686 1.00 0.00 O ATOM 0 H ASP A 76 12.937 -6.579 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 76 12.725 -3.641 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.902 -4.591 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.560 -4.958 -0.675 1.00 0.00 H new