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= 0.0207 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 147:sc= -2.1! (180deg=-4.8!) USER MOD Single : A 48 MET CE :methyl 136:sc= -2.99! (180deg=-8.55!) USER MOD Single : A 52 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.38) 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 -167:sc= -0.844 (180deg=-1.17) USER MOD Single : A 66 THR OG1 : rot 86:sc= 0.77 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 148:sc= -4.78! (180deg=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.325 7.057 -1.266 1.00 0.00 N ATOM 124 CA PRO A 8 -8.663 5.868 -0.465 1.00 0.00 C ATOM 125 C PRO A 8 -7.505 5.506 0.471 1.00 0.00 C ATOM 126 O PRO A 8 -6.448 6.101 0.406 1.00 0.00 O ATOM 127 CB PRO A 8 -8.878 4.776 -1.516 1.00 0.00 C ATOM 128 CG PRO A 8 -8.117 5.233 -2.783 1.00 0.00 C ATOM 129 CD PRO A 8 -7.938 6.758 -2.660 1.00 0.00 C ATOM 0 HA PRO A 8 -9.534 6.015 0.174 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.501 3.816 -1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.939 4.644 -1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.151 4.734 -2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.676 4.979 -3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.909 7.056 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.568 7.292 -3.371 1.00 0.00 H new ATOM 137 N PRO A 9 -7.743 4.536 1.315 1.00 0.00 N ATOM 138 CA PRO A 9 -6.740 4.063 2.283 1.00 0.00 C ATOM 139 C PRO A 9 -5.712 3.168 1.584 1.00 0.00 C ATOM 140 O PRO A 9 -6.028 2.448 0.660 1.00 0.00 O ATOM 141 CB PRO A 9 -7.566 3.267 3.297 1.00 0.00 C ATOM 142 CG PRO A 9 -8.871 2.856 2.572 1.00 0.00 C ATOM 143 CD PRO A 9 -9.034 3.819 1.381 1.00 0.00 C ATOM 0 HA PRO A 9 -6.174 4.870 2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.019 2.389 3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.785 3.870 4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.815 1.823 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.726 2.923 3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.237 3.278 0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.865 4.508 1.536 1.00 0.00 H new ATOM 151 N ALA A 10 -4.482 3.213 2.016 1.00 0.00 N ATOM 152 CA ALA A 10 -3.436 2.369 1.375 1.00 0.00 C ATOM 153 C ALA A 10 -3.713 0.894 1.671 1.00 0.00 C ATOM 154 O ALA A 10 -3.082 0.012 1.122 1.00 0.00 O ATOM 155 CB ALA A 10 -2.063 2.750 1.931 1.00 0.00 C ATOM 0 H ALA A 10 -4.156 3.798 2.785 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.451 2.531 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.297 2.133 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.863 3.800 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.050 2.589 3.009 1.00 0.00 H new ATOM 161 N ALA A 11 -4.649 0.618 2.535 1.00 0.00 N ATOM 162 CA ALA A 11 -4.961 -0.800 2.867 1.00 0.00 C ATOM 163 C ALA A 11 -5.938 -1.370 1.834 1.00 0.00 C ATOM 164 O ALA A 11 -6.289 -2.531 1.877 1.00 0.00 O ATOM 165 CB ALA A 11 -5.596 -0.868 4.257 1.00 0.00 C ATOM 0 H ALA A 11 -5.212 1.313 3.026 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.041 -1.384 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.825 -1.905 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.901 -0.466 4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.515 -0.281 4.266 1.00 0.00 H new ATOM 171 N VAL A 12 -6.382 -0.562 0.910 1.00 0.00 N ATOM 172 CA VAL A 12 -7.337 -1.062 -0.115 1.00 0.00 C ATOM 173 C VAL A 12 -6.639 -1.127 -1.479 1.00 0.00 C ATOM 174 O VAL A 12 -6.800 -2.074 -2.224 1.00 0.00 O ATOM 175 CB VAL A 12 -8.546 -0.119 -0.181 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.240 1.082 -1.082 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.748 -0.880 -0.739 1.00 0.00 C ATOM 0 H VAL A 12 -6.124 0.421 0.822 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.678 -2.062 0.153 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.768 0.243 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.108 1.741 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.386 1.629 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.008 0.732 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.610 -0.214 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.515 -1.246 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.978 -1.724 -0.089 1.00 0.00 H new ATOM 187 N LEU A 13 -5.866 -0.129 -1.810 1.00 0.00 N ATOM 188 CA LEU A 13 -5.162 -0.135 -3.122 1.00 0.00 C ATOM 189 C LEU A 13 -3.949 -1.064 -3.047 1.00 0.00 C ATOM 190 O LEU A 13 -3.720 -1.872 -3.925 1.00 0.00 O ATOM 191 CB LEU A 13 -4.699 1.284 -3.463 1.00 0.00 C ATOM 192 CG LEU A 13 -5.912 2.148 -3.813 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.442 3.531 -4.265 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.700 1.481 -4.945 1.00 0.00 C ATOM 0 H LEU A 13 -5.692 0.690 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.843 -0.489 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.164 1.716 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.003 1.259 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.550 2.252 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.307 4.146 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.879 4.005 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.804 3.430 -5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.565 2.094 -5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.061 1.378 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.036 0.495 -4.623 1.00 0.00 H new ATOM 206 N LEU A 14 -3.170 -0.961 -2.004 1.00 0.00 N ATOM 207 CA LEU A 14 -1.976 -1.845 -1.881 1.00 0.00 C ATOM 208 C LEU A 14 -2.389 -3.289 -2.179 1.00 0.00 C ATOM 209 O LEU A 14 -1.842 -3.934 -3.049 1.00 0.00 O ATOM 210 CB LEU A 14 -1.413 -1.749 -0.459 1.00 0.00 C ATOM 211 CG LEU A 14 -0.763 -0.377 -0.262 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.219 -0.265 1.164 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.388 -0.214 -1.256 1.00 0.00 C ATOM 0 H LEU A 14 -3.308 -0.306 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.210 -1.532 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.210 -1.894 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.680 -2.538 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.507 0.402 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.243 0.713 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.036 -0.383 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.524 -1.044 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.853 0.762 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.129 -0.996 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.004 -0.292 -2.273 1.00 0.00 H new ATOM 225 N LYS A 15 -3.359 -3.796 -1.467 1.00 0.00 N ATOM 226 CA LYS A 15 -3.817 -5.194 -1.714 1.00 0.00 C ATOM 227 C LYS A 15 -4.202 -5.353 -3.186 1.00 0.00 C ATOM 228 O LYS A 15 -3.999 -6.392 -3.784 1.00 0.00 O ATOM 229 CB LYS A 15 -5.040 -5.490 -0.843 1.00 0.00 C ATOM 230 CG LYS A 15 -4.617 -6.292 0.388 1.00 0.00 C ATOM 231 CD LYS A 15 -5.862 -6.794 1.122 1.00 0.00 C ATOM 232 CE LYS A 15 -5.442 -7.676 2.298 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.166 -8.975 2.226 1.00 0.00 N ATOM 0 H LYS A 15 -3.854 -3.302 -0.725 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.012 -5.886 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.513 -4.557 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.779 -6.049 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.993 -7.135 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.016 -5.670 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.451 -5.950 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.496 -7.359 0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.366 -7.845 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.664 -7.175 3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.881 -9.576 3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.191 -8.804 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.932 -9.454 1.333 1.00 0.00 H new ATOM 247 N LYS A 16 -4.766 -4.332 -3.774 1.00 0.00 N ATOM 248 CA LYS A 16 -5.175 -4.425 -5.204 1.00 0.00 C ATOM 249 C LYS A 16 -3.941 -4.631 -6.085 1.00 0.00 C ATOM 250 O LYS A 16 -3.990 -5.318 -7.086 1.00 0.00 O ATOM 251 CB LYS A 16 -5.884 -3.133 -5.616 1.00 0.00 C ATOM 252 CG LYS A 16 -7.007 -3.460 -6.600 1.00 0.00 C ATOM 253 CD LYS A 16 -6.426 -3.606 -8.009 1.00 0.00 C ATOM 254 CE LYS A 16 -7.546 -3.955 -8.990 1.00 0.00 C ATOM 255 NZ LYS A 16 -6.990 -4.756 -10.118 1.00 0.00 N ATOM 0 H LYS A 16 -4.961 -3.437 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.851 -5.271 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.290 -2.632 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.173 -2.446 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.507 -4.382 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.759 -2.671 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.940 -2.678 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.663 -4.384 -8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.327 -4.519 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.007 -3.044 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.752 -4.993 -10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.260 -4.203 -10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.570 -5.632 -9.748 1.00 0.00 H new ATOM 269 N ALA A 17 -2.834 -4.041 -5.726 1.00 0.00 N ATOM 270 CA ALA A 17 -1.604 -4.207 -6.551 1.00 0.00 C ATOM 271 C ALA A 17 -1.286 -5.697 -6.704 1.00 0.00 C ATOM 272 O ALA A 17 -0.908 -6.154 -7.764 1.00 0.00 O ATOM 273 CB ALA A 17 -0.432 -3.503 -5.865 1.00 0.00 C ATOM 0 H ALA A 17 -2.728 -3.453 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.766 -3.769 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.468 -3.624 -6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.657 -2.442 -5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.271 -3.941 -4.880 1.00 0.00 H new ATOM 279 N ALA A 18 -1.432 -6.455 -5.652 1.00 0.00 N ATOM 280 CA ALA A 18 -1.132 -7.913 -5.737 1.00 0.00 C ATOM 281 C ALA A 18 -2.288 -8.640 -6.427 1.00 0.00 C ATOM 282 O ALA A 18 -2.085 -9.569 -7.184 1.00 0.00 O ATOM 283 CB ALA A 18 -0.945 -8.477 -4.327 1.00 0.00 C ATOM 0 H ALA A 18 -1.746 -6.129 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.219 -8.060 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.726 -9.543 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.118 -7.964 -3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.858 -8.327 -3.751 1.00 0.00 H new ATOM 289 N GLY A 19 -3.501 -8.229 -6.173 1.00 0.00 N ATOM 290 CA GLY A 19 -4.665 -8.902 -6.816 1.00 0.00 C ATOM 291 C GLY A 19 -5.304 -9.876 -5.824 1.00 0.00 C ATOM 292 O GLY A 19 -6.005 -10.794 -6.203 1.00 0.00 O ATOM 0 H GLY A 19 -3.736 -7.457 -5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.397 -8.160 -7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.342 -9.436 -7.709 1.00 0.00 H new ATOM 485 N ALA A 33 1.466 -13.817 -1.726 1.00 0.00 N ATOM 486 CA ALA A 33 1.089 -12.404 -2.010 1.00 0.00 C ATOM 487 C ALA A 33 2.307 -11.499 -1.814 1.00 0.00 C ATOM 488 O ALA A 33 2.521 -10.952 -0.749 1.00 0.00 O ATOM 489 CB ALA A 33 -0.025 -11.971 -1.055 1.00 0.00 C ATOM 0 HA ALA A 33 0.739 -12.323 -3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.301 -10.937 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.894 -12.614 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.325 -12.053 -0.026 1.00 0.00 H new ATOM 495 N THR A 34 3.107 -11.335 -2.831 1.00 0.00 N ATOM 496 CA THR A 34 4.308 -10.464 -2.699 1.00 0.00 C ATOM 497 C THR A 34 4.123 -9.209 -3.554 1.00 0.00 C ATOM 498 O THR A 34 3.784 -9.283 -4.719 1.00 0.00 O ATOM 499 CB THR A 34 5.548 -11.226 -3.171 1.00 0.00 C ATOM 500 OG1 THR A 34 5.151 -12.295 -4.017 1.00 0.00 O ATOM 501 CG2 THR A 34 6.299 -11.782 -1.960 1.00 0.00 C ATOM 0 H THR A 34 2.981 -11.766 -3.747 1.00 0.00 H new ATOM 0 HA THR A 34 4.436 -10.177 -1.655 1.00 0.00 H new ATOM 0 HB THR A 34 6.202 -10.551 -3.722 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.944 -12.783 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.182 -12.325 -2.297 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.604 -10.960 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.647 -12.458 -1.407 1.00 0.00 H new ATOM 509 N ILE A 35 4.345 -8.056 -2.984 1.00 0.00 N ATOM 510 CA ILE A 35 4.183 -6.797 -3.765 1.00 0.00 C ATOM 511 C ILE A 35 5.561 -6.202 -4.060 1.00 0.00 C ATOM 512 O ILE A 35 6.354 -5.974 -3.169 1.00 0.00 O ATOM 513 CB ILE A 35 3.358 -5.795 -2.955 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.896 -6.249 -2.916 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.442 -4.416 -3.610 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.311 -6.221 -4.328 1.00 0.00 C ATOM 0 H ILE A 35 4.631 -7.932 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 35 3.671 -7.014 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 35 3.751 -5.741 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.828 -7.256 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.320 -5.597 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.854 -3.703 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.482 -4.090 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.050 -4.471 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.271 -6.545 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.364 -5.207 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.881 -6.892 -4.971 1.00 0.00 H new ATOM 528 N LYS A 36 5.852 -5.944 -5.304 1.00 0.00 N ATOM 529 CA LYS A 36 7.177 -5.360 -5.650 1.00 0.00 C ATOM 530 C LYS A 36 7.257 -3.935 -5.098 1.00 0.00 C ATOM 531 O LYS A 36 6.258 -3.259 -4.957 1.00 0.00 O ATOM 532 CB LYS A 36 7.338 -5.328 -7.172 1.00 0.00 C ATOM 533 CG LYS A 36 7.679 -6.729 -7.682 1.00 0.00 C ATOM 534 CD LYS A 36 7.558 -6.759 -9.207 1.00 0.00 C ATOM 535 CE LYS A 36 7.096 -8.146 -9.658 1.00 0.00 C ATOM 536 NZ LYS A 36 8.285 -9.000 -9.932 1.00 0.00 N ATOM 0 H LYS A 36 5.230 -6.112 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 36 7.971 -5.967 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.418 -4.975 -7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.125 -4.627 -7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.691 -7.001 -7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.006 -7.463 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.848 -6.002 -9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.518 -6.518 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.476 -8.603 -8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.480 -8.063 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.972 -9.943 -10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.859 -8.565 -10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.855 -9.089 -9.067 1.00 0.00 H new ATOM 550 N ARG A 37 8.436 -3.469 -4.792 1.00 0.00 N ATOM 551 CA ARG A 37 8.574 -2.086 -4.261 1.00 0.00 C ATOM 552 C ARG A 37 8.353 -1.104 -5.405 1.00 0.00 C ATOM 553 O ARG A 37 7.912 0.010 -5.212 1.00 0.00 O ATOM 554 CB ARG A 37 9.984 -1.897 -3.698 1.00 0.00 C ATOM 555 CG ARG A 37 9.916 -1.094 -2.398 1.00 0.00 C ATOM 556 CD ARG A 37 9.040 -1.832 -1.383 1.00 0.00 C ATOM 557 NE ARG A 37 9.525 -1.540 -0.004 1.00 0.00 N ATOM 558 CZ ARG A 37 10.771 -1.768 0.313 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.271 -2.965 0.173 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.517 -0.799 0.769 1.00 0.00 N ATOM 0 H ARG A 37 9.310 -3.987 -4.887 1.00 0.00 H new ATOM 0 HA ARG A 37 7.843 -1.913 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.446 -2.867 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.610 -1.379 -4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.918 -0.953 -1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.508 -0.102 -2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.001 -1.520 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.071 -2.905 -1.572 1.00 0.00 H new ATOM 0 HE ARG A 37 8.883 -1.162 0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.689 -3.722 -0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.244 -3.143 0.421 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.127 0.137 0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.490 -0.978 1.016 1.00 0.00 H new ATOM 574 N ASP A 38 8.666 -1.518 -6.600 1.00 0.00 N ATOM 575 CA ASP A 38 8.486 -0.622 -7.771 1.00 0.00 C ATOM 576 C ASP A 38 7.001 -0.297 -7.954 1.00 0.00 C ATOM 577 O ASP A 38 6.642 0.707 -8.537 1.00 0.00 O ATOM 578 CB ASP A 38 9.014 -1.315 -9.028 1.00 0.00 C ATOM 579 CG ASP A 38 10.434 -0.826 -9.324 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.117 -0.449 -8.386 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.813 -0.837 -10.484 1.00 0.00 O ATOM 0 H ASP A 38 9.040 -2.442 -6.815 1.00 0.00 H new ATOM 0 HA ASP A 38 9.038 0.303 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.012 -2.396 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.361 -1.102 -9.875 1.00 0.00 H new ATOM 586 N LYS A 39 6.133 -1.141 -7.465 1.00 0.00 N ATOM 587 CA LYS A 39 4.674 -0.880 -7.616 1.00 0.00 C ATOM 588 C LYS A 39 4.125 -0.263 -6.329 1.00 0.00 C ATOM 589 O LYS A 39 3.521 0.792 -6.341 1.00 0.00 O ATOM 590 CB LYS A 39 3.950 -2.198 -7.897 1.00 0.00 C ATOM 591 CG LYS A 39 2.572 -1.908 -8.496 1.00 0.00 C ATOM 592 CD LYS A 39 2.584 -2.241 -9.989 1.00 0.00 C ATOM 593 CE LYS A 39 1.356 -1.623 -10.659 1.00 0.00 C ATOM 594 NZ LYS A 39 1.426 -1.850 -12.130 1.00 0.00 N ATOM 0 H LYS A 39 6.372 -1.999 -6.968 1.00 0.00 H new ATOM 0 HA LYS A 39 4.514 -0.189 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.536 -2.807 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.844 -2.770 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.811 -2.499 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.313 -0.860 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.494 -1.859 -10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.584 -3.322 -10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.446 -2.066 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.312 -0.555 -10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.591 -1.430 -12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.287 -1.407 -12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.449 -2.872 -12.323 1.00 0.00 H new ATOM 608 N VAL A 40 4.323 -0.917 -5.219 1.00 0.00 N ATOM 609 CA VAL A 40 3.808 -0.373 -3.933 1.00 0.00 C ATOM 610 C VAL A 40 4.204 1.105 -3.811 1.00 0.00 C ATOM 611 O VAL A 40 3.456 1.921 -3.309 1.00 0.00 O ATOM 612 CB VAL A 40 4.388 -1.203 -2.769 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.572 -0.484 -2.107 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.293 -1.437 -1.728 1.00 0.00 C ATOM 0 H VAL A 40 4.819 -1.805 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 40 2.721 -0.439 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 40 4.745 -2.153 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.958 -1.095 -1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.359 -0.324 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.241 0.478 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.696 -2.023 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.937 -0.478 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.465 -1.977 -2.186 1.00 0.00 H new ATOM 624 N ARG A 41 5.378 1.450 -4.266 1.00 0.00 N ATOM 625 CA ARG A 41 5.832 2.868 -4.179 1.00 0.00 C ATOM 626 C ARG A 41 4.960 3.745 -5.081 1.00 0.00 C ATOM 627 O ARG A 41 4.549 4.823 -4.703 1.00 0.00 O ATOM 628 CB ARG A 41 7.291 2.962 -4.630 1.00 0.00 C ATOM 629 CG ARG A 41 7.683 4.430 -4.823 1.00 0.00 C ATOM 630 CD ARG A 41 9.036 4.509 -5.535 1.00 0.00 C ATOM 631 NE ARG A 41 8.945 3.816 -6.852 1.00 0.00 N ATOM 632 CZ ARG A 41 9.862 2.956 -7.201 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.173 1.974 -6.400 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.467 3.077 -8.351 1.00 0.00 N ATOM 0 H ARG A 41 6.045 0.809 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 41 5.745 3.214 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.941 2.497 -3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.429 2.414 -5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.922 4.947 -5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.739 4.932 -3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.323 5.551 -5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.810 4.047 -4.921 1.00 0.00 H new ATOM 0 HE ARG A 41 8.166 4.014 -7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.699 1.879 -5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.890 1.301 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.223 3.844 -8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.184 2.404 -8.623 1.00 0.00 H new ATOM 648 N GLU A 42 4.677 3.293 -6.272 1.00 0.00 N ATOM 649 CA GLU A 42 3.834 4.106 -7.194 1.00 0.00 C ATOM 650 C GLU A 42 2.533 4.497 -6.489 1.00 0.00 C ATOM 651 O GLU A 42 2.138 5.645 -6.490 1.00 0.00 O ATOM 652 CB GLU A 42 3.513 3.290 -8.447 1.00 0.00 C ATOM 653 CG GLU A 42 4.501 3.652 -9.558 1.00 0.00 C ATOM 654 CD GLU A 42 4.694 2.448 -10.480 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.739 2.072 -11.141 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.795 1.922 -10.511 1.00 0.00 O ATOM 0 H GLU A 42 4.992 2.398 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 42 4.376 5.008 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.573 2.224 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.493 3.491 -8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.129 4.504 -10.127 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.457 3.950 -9.127 1.00 0.00 H new ATOM 663 N ILE A 43 1.865 3.552 -5.886 1.00 0.00 N ATOM 664 CA ILE A 43 0.592 3.875 -5.181 1.00 0.00 C ATOM 665 C ILE A 43 0.864 4.926 -4.102 1.00 0.00 C ATOM 666 O ILE A 43 0.183 5.929 -4.010 1.00 0.00 O ATOM 667 CB ILE A 43 0.029 2.604 -4.538 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.558 1.703 -5.626 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.070 2.974 -3.539 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.059 0.270 -5.429 1.00 0.00 C ATOM 0 H ILE A 43 2.145 2.572 -5.851 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.134 4.268 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 43 0.829 2.078 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.647 1.729 -5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.267 2.068 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.468 2.067 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.655 3.618 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.871 3.501 -4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.478 -0.371 -6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.029 0.252 -5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.372 -0.093 -4.450 1.00 0.00 H new ATOM 682 N ALA A 44 1.860 4.707 -3.287 1.00 0.00 N ATOM 683 CA ALA A 44 2.178 5.696 -2.221 1.00 0.00 C ATOM 684 C ALA A 44 2.531 7.033 -2.872 1.00 0.00 C ATOM 685 O ALA A 44 2.470 8.075 -2.249 1.00 0.00 O ATOM 686 CB ALA A 44 3.365 5.195 -1.397 1.00 0.00 C ATOM 0 H ALA A 44 2.466 3.887 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 44 1.316 5.823 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.598 5.919 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.113 4.238 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.232 5.070 -2.046 1.00 0.00 H new ATOM 692 N GLU A 45 2.893 7.011 -4.126 1.00 0.00 N ATOM 693 CA GLU A 45 3.245 8.278 -4.826 1.00 0.00 C ATOM 694 C GLU A 45 1.957 9.009 -5.210 1.00 0.00 C ATOM 695 O GLU A 45 1.895 10.221 -5.209 1.00 0.00 O ATOM 696 CB GLU A 45 4.047 7.957 -6.091 1.00 0.00 C ATOM 697 CG GLU A 45 5.449 8.555 -5.973 1.00 0.00 C ATOM 698 CD GLU A 45 6.363 7.574 -5.237 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.877 6.893 -4.349 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.534 7.518 -5.574 1.00 0.00 O ATOM 0 H GLU A 45 2.960 6.168 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 45 3.845 8.908 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.111 6.878 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.541 8.361 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.850 8.768 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.408 9.503 -5.436 1.00 0.00 H new ATOM 707 N LEU A 46 0.927 8.275 -5.536 1.00 0.00 N ATOM 708 CA LEU A 46 -0.360 8.921 -5.916 1.00 0.00 C ATOM 709 C LEU A 46 -0.940 9.640 -4.697 1.00 0.00 C ATOM 710 O LEU A 46 -1.381 10.768 -4.781 1.00 0.00 O ATOM 711 CB LEU A 46 -1.345 7.852 -6.395 1.00 0.00 C ATOM 712 CG LEU A 46 -1.798 8.175 -7.821 1.00 0.00 C ATOM 713 CD1 LEU A 46 -2.443 9.562 -7.853 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.586 8.156 -8.756 1.00 0.00 C ATOM 0 H LEU A 46 0.922 7.255 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.188 9.639 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.874 6.869 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.207 7.812 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.524 7.430 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.765 9.790 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.306 9.578 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.719 10.308 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.907 8.386 -9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.139 8.901 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.126 7.168 -8.735 1.00 0.00 H new ATOM 726 N LYS A 47 -0.939 8.995 -3.561 1.00 0.00 N ATOM 727 CA LYS A 47 -1.486 9.645 -2.336 1.00 0.00 C ATOM 728 C LYS A 47 -0.346 10.321 -1.571 1.00 0.00 C ATOM 729 O LYS A 47 -0.406 10.492 -0.369 1.00 0.00 O ATOM 730 CB LYS A 47 -2.143 8.590 -1.442 1.00 0.00 C ATOM 731 CG LYS A 47 -2.987 7.644 -2.300 1.00 0.00 C ATOM 732 CD LYS A 47 -2.367 6.245 -2.277 1.00 0.00 C ATOM 733 CE LYS A 47 -3.206 5.328 -1.384 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.404 4.925 -0.194 1.00 0.00 N ATOM 0 H LYS A 47 -0.584 8.048 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.230 10.389 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.379 8.027 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.769 9.073 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.009 7.607 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.039 8.014 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.319 5.841 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.344 6.295 -1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.114 5.842 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.518 4.445 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.033 4.813 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.924 4.023 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.695 5.658 0.011 1.00 0.00 H new ATOM 748 N MET A 48 0.692 10.708 -2.258 1.00 0.00 N ATOM 749 CA MET A 48 1.839 11.369 -1.573 1.00 0.00 C ATOM 750 C MET A 48 1.360 12.632 -0.847 1.00 0.00 C ATOM 751 O MET A 48 1.614 12.797 0.331 1.00 0.00 O ATOM 752 CB MET A 48 2.900 11.748 -2.607 1.00 0.00 C ATOM 753 CG MET A 48 4.219 11.053 -2.263 1.00 0.00 C ATOM 754 SD MET A 48 5.412 12.279 -1.672 1.00 0.00 S ATOM 755 CE MET A 48 4.618 12.622 -0.083 1.00 0.00 C ATOM 0 H MET A 48 0.796 10.595 -3.266 1.00 0.00 H new ATOM 0 HA MET A 48 2.265 10.679 -0.845 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.572 11.455 -3.604 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.039 12.829 -2.621 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.053 10.293 -1.499 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.612 10.541 -3.141 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.374 12.658 0.701 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.102 13.581 -0.134 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.899 11.834 0.142 1.00 0.00 H new ATOM 765 N PRO A 49 0.682 13.490 -1.569 1.00 0.00 N ATOM 766 CA PRO A 49 0.160 14.752 -1.015 1.00 0.00 C ATOM 767 C PRO A 49 -1.097 14.491 -0.178 1.00 0.00 C ATOM 768 O PRO A 49 -1.522 15.326 0.596 1.00 0.00 O ATOM 769 CB PRO A 49 -0.163 15.584 -2.260 1.00 0.00 C ATOM 770 CG PRO A 49 -0.342 14.580 -3.422 1.00 0.00 C ATOM 771 CD PRO A 49 0.372 13.282 -2.999 1.00 0.00 C ATOM 0 HA PRO A 49 0.862 15.253 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.069 16.171 -2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.641 16.288 -2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.399 14.395 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.086 14.974 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.266 12.410 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.277 13.117 -3.583 1.00 0.00 H new ATOM 779 N ASP A 50 -1.691 13.338 -0.322 1.00 0.00 N ATOM 780 CA ASP A 50 -2.913 13.026 0.472 1.00 0.00 C ATOM 781 C ASP A 50 -2.526 12.171 1.683 1.00 0.00 C ATOM 782 O ASP A 50 -3.351 11.845 2.514 1.00 0.00 O ATOM 783 CB ASP A 50 -3.905 12.253 -0.397 1.00 0.00 C ATOM 784 CG ASP A 50 -4.638 13.225 -1.324 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.375 14.413 -1.232 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.449 12.764 -2.109 1.00 0.00 O ATOM 0 H ASP A 50 -1.383 12.599 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.373 13.954 0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.380 11.500 -0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.621 11.724 0.232 1.00 0.00 H new ATOM 791 N LEU A 51 -1.277 11.804 1.788 1.00 0.00 N ATOM 792 CA LEU A 51 -0.835 10.969 2.940 1.00 0.00 C ATOM 793 C LEU A 51 -0.172 11.859 3.994 1.00 0.00 C ATOM 794 O LEU A 51 0.290 11.387 5.013 1.00 0.00 O ATOM 795 CB LEU A 51 0.177 9.930 2.452 1.00 0.00 C ATOM 796 CG LEU A 51 -0.502 8.565 2.334 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.818 8.712 1.571 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.419 7.604 1.577 1.00 0.00 C ATOM 0 H LEU A 51 -0.543 12.048 1.123 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.699 10.468 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.583 10.230 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.016 9.871 3.146 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.703 8.172 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.301 7.738 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.474 9.398 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.619 9.105 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.063 6.630 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.618 7.999 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.359 7.498 2.119 1.00 0.00 H new ATOM 810 N ASN A 52 -0.113 13.141 3.755 1.00 0.00 N ATOM 811 CA ASN A 52 0.531 14.049 4.743 1.00 0.00 C ATOM 812 C ASN A 52 2.020 13.710 4.832 1.00 0.00 C ATOM 813 O ASN A 52 2.672 13.982 5.820 1.00 0.00 O ATOM 814 CB ASN A 52 -0.120 13.857 6.114 1.00 0.00 C ATOM 815 CG ASN A 52 -1.641 13.821 5.958 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.207 14.618 5.236 1.00 0.00 O ATOM 817 ND2 ASN A 52 -2.331 12.923 6.607 1.00 0.00 N ATOM 0 H ASN A 52 -0.482 13.597 2.920 1.00 0.00 H new ATOM 0 HA ASN A 52 0.406 15.085 4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.231 12.931 6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.168 14.669 6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.346 12.890 6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.856 12.254 7.213 1.00 0.00 H new ATOM 824 N ALA A 53 2.559 13.114 3.804 1.00 0.00 N ATOM 825 CA ALA A 53 4.004 12.751 3.821 1.00 0.00 C ATOM 826 C ALA A 53 4.822 13.870 3.174 1.00 0.00 C ATOM 827 O ALA A 53 4.398 14.489 2.218 1.00 0.00 O ATOM 828 CB ALA A 53 4.210 11.454 3.036 1.00 0.00 C ATOM 0 H ALA A 53 2.060 12.862 2.951 1.00 0.00 H new ATOM 0 HA ALA A 53 4.331 12.612 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.267 11.186 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.628 10.655 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.882 11.596 2.006 1.00 0.00 H new ATOM 834 N ALA A 54 5.994 14.131 3.685 1.00 0.00 N ATOM 835 CA ALA A 54 6.839 15.206 3.095 1.00 0.00 C ATOM 836 C ALA A 54 7.561 14.661 1.861 1.00 0.00 C ATOM 837 O ALA A 54 8.027 15.407 1.023 1.00 0.00 O ATOM 838 CB ALA A 54 7.870 15.668 4.127 1.00 0.00 C ATOM 0 H ALA A 54 6.402 13.647 4.485 1.00 0.00 H new ATOM 0 HA ALA A 54 6.211 16.049 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.489 16.455 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.356 16.052 5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.501 14.826 4.413 1.00 0.00 H new ATOM 844 N SER A 55 7.656 13.365 1.744 1.00 0.00 N ATOM 845 CA SER A 55 8.347 12.771 0.565 1.00 0.00 C ATOM 846 C SER A 55 8.028 11.276 0.486 1.00 0.00 C ATOM 847 O SER A 55 7.247 10.756 1.258 1.00 0.00 O ATOM 848 CB SER A 55 9.856 12.961 0.707 1.00 0.00 C ATOM 849 OG SER A 55 10.220 12.822 2.074 1.00 0.00 O ATOM 0 H SER A 55 7.285 12.692 2.414 1.00 0.00 H new ATOM 0 HA SER A 55 8.003 13.266 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.385 12.226 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.146 13.945 0.340 1.00 0.00 H new ATOM 0 HG SER A 55 11.188 12.942 2.169 1.00 0.00 H new ATOM 855 N ILE A 56 8.628 10.582 -0.441 1.00 0.00 N ATOM 856 CA ILE A 56 8.360 9.121 -0.570 1.00 0.00 C ATOM 857 C ILE A 56 8.853 8.400 0.685 1.00 0.00 C ATOM 858 O ILE A 56 8.165 7.576 1.251 1.00 0.00 O ATOM 859 CB ILE A 56 9.101 8.571 -1.789 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.913 9.518 -2.976 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.542 7.192 -2.148 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.428 9.850 -3.137 1.00 0.00 C ATOM 0 H ILE A 56 9.292 10.963 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 56 7.289 8.960 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 56 10.163 8.486 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.486 10.432 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.294 9.056 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.070 6.800 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.677 6.514 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.480 7.278 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.296 10.525 -3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.867 8.932 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.062 10.330 -2.229 1.00 0.00 H new ATOM 874 N GLU A 57 10.043 8.700 1.126 1.00 0.00 N ATOM 875 CA GLU A 57 10.575 8.026 2.342 1.00 0.00 C ATOM 876 C GLU A 57 9.490 7.999 3.422 1.00 0.00 C ATOM 877 O GLU A 57 9.464 7.126 4.267 1.00 0.00 O ATOM 878 CB GLU A 57 11.793 8.794 2.859 1.00 0.00 C ATOM 879 CG GLU A 57 12.973 8.579 1.908 1.00 0.00 C ATOM 880 CD GLU A 57 14.217 9.267 2.472 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.059 10.147 3.302 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.307 8.902 2.065 1.00 0.00 O ATOM 0 H GLU A 57 10.669 9.382 0.697 1.00 0.00 H new ATOM 0 HA GLU A 57 10.869 7.006 2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.561 9.856 2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.053 8.453 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.161 7.513 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.737 8.981 0.923 1.00 0.00 H new ATOM 889 N ALA A 58 8.597 8.951 3.403 1.00 0.00 N ATOM 890 CA ALA A 58 7.518 8.986 4.431 1.00 0.00 C ATOM 891 C ALA A 58 6.292 8.211 3.934 1.00 0.00 C ATOM 892 O ALA A 58 5.576 7.608 4.708 1.00 0.00 O ATOM 893 CB ALA A 58 7.123 10.439 4.704 1.00 0.00 C ATOM 0 H ALA A 58 8.568 9.707 2.719 1.00 0.00 H new ATOM 0 HA ALA A 58 7.885 8.524 5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.334 10.466 5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.990 10.990 5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.763 10.897 3.783 1.00 0.00 H new ATOM 899 N ALA A 59 6.034 8.230 2.653 1.00 0.00 N ATOM 900 CA ALA A 59 4.844 7.501 2.123 1.00 0.00 C ATOM 901 C ALA A 59 5.119 5.995 2.098 1.00 0.00 C ATOM 902 O ALA A 59 4.437 5.219 2.738 1.00 0.00 O ATOM 903 CB ALA A 59 4.539 7.986 0.705 1.00 0.00 C ATOM 0 H ALA A 59 6.593 8.717 1.953 1.00 0.00 H new ATOM 0 HA ALA A 59 3.989 7.697 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.670 7.454 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.331 9.056 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.398 7.794 0.062 1.00 0.00 H new ATOM 909 N MET A 60 6.111 5.574 1.364 1.00 0.00 N ATOM 910 CA MET A 60 6.424 4.119 1.301 1.00 0.00 C ATOM 911 C MET A 60 6.481 3.561 2.722 1.00 0.00 C ATOM 912 O MET A 60 6.246 2.393 2.954 1.00 0.00 O ATOM 913 CB MET A 60 7.775 3.915 0.614 1.00 0.00 C ATOM 914 CG MET A 60 7.551 3.363 -0.796 1.00 0.00 C ATOM 915 SD MET A 60 8.511 1.844 -1.009 1.00 0.00 S ATOM 916 CE MET A 60 10.048 2.623 -1.561 1.00 0.00 C ATOM 0 H MET A 60 6.718 6.174 0.805 1.00 0.00 H new ATOM 0 HA MET A 60 5.652 3.600 0.733 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.316 4.860 0.565 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.389 3.225 1.193 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.492 3.162 -0.955 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.850 4.102 -1.539 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.796 1.854 -1.754 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.862 3.187 -2.475 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.413 3.298 -0.786 1.00 0.00 H new ATOM 926 N ARG A 61 6.782 4.396 3.677 1.00 0.00 N ATOM 927 CA ARG A 61 6.845 3.925 5.086 1.00 0.00 C ATOM 928 C ARG A 61 5.473 3.386 5.489 1.00 0.00 C ATOM 929 O ARG A 61 5.348 2.294 6.006 1.00 0.00 O ATOM 930 CB ARG A 61 7.232 5.097 5.993 1.00 0.00 C ATOM 931 CG ARG A 61 7.026 4.707 7.456 1.00 0.00 C ATOM 932 CD ARG A 61 8.378 4.675 8.173 1.00 0.00 C ATOM 933 NE ARG A 61 8.857 6.069 8.396 1.00 0.00 N ATOM 934 CZ ARG A 61 10.112 6.291 8.681 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.051 5.800 7.918 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.429 7.005 9.727 1.00 0.00 N ATOM 0 H ARG A 61 6.987 5.386 3.541 1.00 0.00 H new ATOM 0 HA ARG A 61 7.590 3.135 5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.273 5.372 5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.628 5.971 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.361 5.420 7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.546 3.730 7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.284 4.155 9.126 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.104 4.121 7.578 1.00 0.00 H new ATOM 0 HE ARG A 61 8.204 6.850 8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.804 5.243 7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.031 5.973 8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.696 7.390 10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.410 7.178 9.949 1.00 0.00 H new ATOM 950 N MET A 62 4.441 4.142 5.243 1.00 0.00 N ATOM 951 CA MET A 62 3.071 3.674 5.599 1.00 0.00 C ATOM 952 C MET A 62 2.672 2.543 4.653 1.00 0.00 C ATOM 953 O MET A 62 1.742 1.804 4.906 1.00 0.00 O ATOM 954 CB MET A 62 2.079 4.832 5.455 1.00 0.00 C ATOM 955 CG MET A 62 2.737 6.136 5.909 1.00 0.00 C ATOM 956 SD MET A 62 1.466 7.408 6.123 1.00 0.00 S ATOM 957 CE MET A 62 2.339 8.746 5.274 1.00 0.00 C ATOM 0 H MET A 62 4.486 5.065 4.811 1.00 0.00 H new ATOM 0 HA MET A 62 3.060 3.317 6.629 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.755 4.919 4.418 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.188 4.636 6.052 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.272 5.979 6.846 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.472 6.461 5.173 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.842 9.694 5.482 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.369 8.791 5.628 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.332 8.561 4.200 1.00 0.00 H new ATOM 967 N ILE A 63 3.371 2.407 3.559 1.00 0.00 N ATOM 968 CA ILE A 63 3.041 1.330 2.582 1.00 0.00 C ATOM 969 C ILE A 63 3.588 -0.010 3.077 1.00 0.00 C ATOM 970 O ILE A 63 2.995 -1.048 2.859 1.00 0.00 O ATOM 971 CB ILE A 63 3.676 1.668 1.232 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.932 2.844 0.598 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.587 0.453 0.309 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.480 2.447 0.328 1.00 0.00 C ATOM 0 H ILE A 63 4.160 2.998 3.299 1.00 0.00 H new ATOM 0 HA ILE A 63 1.959 1.257 2.477 1.00 0.00 H new ATOM 0 HB ILE A 63 4.722 1.937 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.966 3.709 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.419 3.136 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.039 0.693 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.117 -0.386 0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.541 0.184 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.951 3.286 -0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.456 1.595 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.996 2.176 1.267 1.00 0.00 H new ATOM 986 N GLU A 64 4.714 -0.004 3.735 1.00 0.00 N ATOM 987 CA GLU A 64 5.286 -1.286 4.232 1.00 0.00 C ATOM 988 C GLU A 64 4.643 -1.646 5.571 1.00 0.00 C ATOM 989 O GLU A 64 4.613 -2.794 5.967 1.00 0.00 O ATOM 990 CB GLU A 64 6.799 -1.137 4.412 1.00 0.00 C ATOM 991 CG GLU A 64 7.094 0.128 5.218 1.00 0.00 C ATOM 992 CD GLU A 64 8.493 0.034 5.828 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.389 -0.421 5.138 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.644 0.418 6.976 1.00 0.00 O ATOM 0 H GLU A 64 5.261 0.830 3.949 1.00 0.00 H new ATOM 0 HA GLU A 64 5.085 -2.077 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.203 -2.010 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.288 -1.084 3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.025 1.005 4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.351 0.251 6.006 1.00 0.00 H new ATOM 1001 N GLY A 65 4.125 -0.675 6.269 1.00 0.00 N ATOM 1002 CA GLY A 65 3.480 -0.965 7.579 1.00 0.00 C ATOM 1003 C GLY A 65 2.014 -1.332 7.348 1.00 0.00 C ATOM 1004 O GLY A 65 1.443 -2.132 8.064 1.00 0.00 O ATOM 0 H GLY A 65 4.120 0.306 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.998 -1.783 8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.551 -0.096 8.233 1.00 0.00 H new ATOM 1008 N THR A 66 1.400 -0.754 6.351 1.00 0.00 N ATOM 1009 CA THR A 66 -0.029 -1.067 6.072 1.00 0.00 C ATOM 1010 C THR A 66 -0.121 -2.240 5.093 1.00 0.00 C ATOM 1011 O THR A 66 -1.074 -2.993 5.102 1.00 0.00 O ATOM 1012 CB THR A 66 -0.709 0.159 5.456 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.246 1.334 6.109 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.224 0.044 5.626 1.00 0.00 C ATOM 0 H THR A 66 1.828 -0.078 5.718 1.00 0.00 H new ATOM 0 HA THR A 66 -0.526 -1.334 7.005 1.00 0.00 H new ATOM 0 HB THR A 66 -0.468 0.213 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.582 1.641 5.683 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.707 0.917 5.187 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.579 -0.857 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.468 -0.011 6.687 1.00 0.00 H new ATOM 1022 N ALA A 67 0.857 -2.399 4.242 1.00 0.00 N ATOM 1023 CA ALA A 67 0.814 -3.519 3.261 1.00 0.00 C ATOM 1024 C ALA A 67 1.490 -4.757 3.853 1.00 0.00 C ATOM 1025 O ALA A 67 1.985 -5.604 3.138 1.00 0.00 O ATOM 1026 CB ALA A 67 1.541 -3.103 1.981 1.00 0.00 C ATOM 0 H ALA A 67 1.682 -1.802 4.185 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.225 -3.755 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.510 -3.922 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.053 -2.227 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.579 -2.863 2.213 1.00 0.00 H new ATOM 1032 N ARG A 68 1.517 -4.871 5.153 1.00 0.00 N ATOM 1033 CA ARG A 68 2.165 -6.059 5.780 1.00 0.00 C ATOM 1034 C ARG A 68 1.234 -6.659 6.835 1.00 0.00 C ATOM 1035 O ARG A 68 1.186 -7.858 7.023 1.00 0.00 O ATOM 1036 CB ARG A 68 3.479 -5.637 6.442 1.00 0.00 C ATOM 1037 CG ARG A 68 4.325 -6.878 6.729 1.00 0.00 C ATOM 1038 CD ARG A 68 5.778 -6.613 6.328 1.00 0.00 C ATOM 1039 NE ARG A 68 6.580 -6.299 7.544 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.837 -5.963 7.429 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.214 -5.163 6.469 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.715 -6.426 8.276 1.00 0.00 N ATOM 0 H ARG A 68 1.120 -4.196 5.806 1.00 0.00 H new ATOM 0 HA ARG A 68 2.367 -6.804 5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.024 -4.954 5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.276 -5.100 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.270 -7.131 7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.935 -7.732 6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.192 -7.485 5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.826 -5.783 5.623 1.00 0.00 H new ATOM 0 HE ARG A 68 6.147 -6.346 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.527 -4.800 5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.196 -4.901 6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.420 -7.050 9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.697 -6.164 8.187 1.00 0.00 H new ATOM 1056 N SER A 69 0.494 -5.836 7.528 1.00 0.00 N ATOM 1057 CA SER A 69 -0.430 -6.366 8.572 1.00 0.00 C ATOM 1058 C SER A 69 -1.517 -7.212 7.908 1.00 0.00 C ATOM 1059 O SER A 69 -2.213 -7.966 8.560 1.00 0.00 O ATOM 1060 CB SER A 69 -1.077 -5.201 9.322 1.00 0.00 C ATOM 1061 OG SER A 69 -0.170 -4.710 10.300 1.00 0.00 O ATOM 0 H SER A 69 0.489 -4.822 7.417 1.00 0.00 H new ATOM 0 HA SER A 69 0.132 -6.982 9.275 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.342 -4.407 8.624 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.001 -5.529 9.798 1.00 0.00 H new ATOM 0 HG SER A 69 -0.581 -3.962 10.781 1.00 0.00 H new ATOM 1067 N MET A 70 -1.670 -7.094 6.619 1.00 0.00 N ATOM 1068 CA MET A 70 -2.712 -7.895 5.917 1.00 0.00 C ATOM 1069 C MET A 70 -2.118 -9.238 5.491 1.00 0.00 C ATOM 1070 O MET A 70 -2.829 -10.189 5.234 1.00 0.00 O ATOM 1071 CB MET A 70 -3.193 -7.133 4.680 1.00 0.00 C ATOM 1072 CG MET A 70 -4.183 -6.049 5.104 1.00 0.00 C ATOM 1073 SD MET A 70 -3.297 -4.730 5.972 1.00 0.00 S ATOM 1074 CE MET A 70 -3.711 -3.387 4.834 1.00 0.00 C ATOM 0 H MET A 70 -1.119 -6.478 6.021 1.00 0.00 H new ATOM 0 HA MET A 70 -3.554 -8.066 6.587 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.345 -6.684 4.163 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.667 -7.819 3.978 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.693 -5.645 4.230 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.949 -6.474 5.752 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.786 -2.451 5.388 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.932 -3.299 4.076 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.665 -3.600 4.351 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.819 -9.325 5.414 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.180 -10.606 5.005 1.00 0.00 C ATOM 1086 C GLY A 71 0.607 -10.398 3.710 1.00 0.00 C ATOM 1087 O GLY A 71 1.231 -11.308 3.200 1.00 0.00 O ATOM 0 H GLY A 71 -0.172 -8.563 5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.485 -10.960 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.941 -11.373 4.861 1.00 0.00 H new ATOM 1091 N ILE A 72 0.587 -9.208 3.172 1.00 0.00 N ATOM 1092 CA ILE A 72 1.337 -8.950 1.912 1.00 0.00 C ATOM 1093 C ILE A 72 2.755 -8.489 2.250 1.00 0.00 C ATOM 1094 O ILE A 72 2.965 -7.714 3.161 1.00 0.00 O ATOM 1095 CB ILE A 72 0.628 -7.857 1.110 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.867 -8.175 1.022 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.218 -7.792 -0.300 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.668 -6.873 1.060 1.00 0.00 C ATOM 0 H ILE A 72 0.084 -8.406 3.551 1.00 0.00 H new ATOM 0 HA ILE A 72 1.380 -9.865 1.322 1.00 0.00 H new ATOM 0 HB ILE A 72 0.767 -6.897 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.080 -8.719 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.162 -8.820 1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.712 -7.013 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.282 -7.564 -0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.081 -8.753 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.733 -7.099 0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.463 -6.347 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.380 -6.244 0.217 1.00 0.00 H new ATOM 1110 N VAL A 73 3.731 -8.953 1.520 1.00 0.00 N ATOM 1111 CA VAL A 73 5.130 -8.529 1.801 1.00 0.00 C ATOM 1112 C VAL A 73 5.557 -7.504 0.747 1.00 0.00 C ATOM 1113 O VAL A 73 4.794 -7.154 -0.131 1.00 0.00 O ATOM 1114 CB VAL A 73 6.056 -9.755 1.765 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.493 -10.054 0.328 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.292 -9.480 2.625 1.00 0.00 C ATOM 0 H VAL A 73 3.621 -9.605 0.744 1.00 0.00 H new ATOM 0 HA VAL A 73 5.194 -8.075 2.790 1.00 0.00 H new ATOM 0 HB VAL A 73 5.515 -10.618 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.148 -10.925 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.615 -10.256 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.028 -9.194 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.952 -10.348 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.821 -8.611 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.984 -9.285 3.652 1.00 0.00 H new ATOM 1126 N VAL A 74 6.766 -7.019 0.819 1.00 0.00 N ATOM 1127 CA VAL A 74 7.214 -6.022 -0.191 1.00 0.00 C ATOM 1128 C VAL A 74 8.727 -6.156 -0.411 1.00 0.00 C ATOM 1129 O VAL A 74 9.504 -6.135 0.523 1.00 0.00 O ATOM 1130 CB VAL A 74 6.845 -4.607 0.299 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.062 -3.893 0.903 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.310 -3.789 -0.876 1.00 0.00 C ATOM 0 H VAL A 74 7.457 -7.268 1.527 1.00 0.00 H new ATOM 0 HA VAL A 74 6.716 -6.201 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 74 6.083 -4.700 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.770 -2.898 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.437 -4.467 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.844 -3.806 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.048 -2.788 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.075 -3.719 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.425 -4.276 -1.285 1.00 0.00 H new ATOM 1142 N GLU A 75 9.148 -6.294 -1.638 1.00 0.00 N ATOM 1143 CA GLU A 75 10.608 -6.429 -1.911 1.00 0.00 C ATOM 1144 C GLU A 75 10.930 -5.829 -3.282 1.00 0.00 C ATOM 1145 O GLU A 75 10.271 -6.107 -4.264 1.00 0.00 O ATOM 1146 CB GLU A 75 11.014 -7.909 -1.892 1.00 0.00 C ATOM 1147 CG GLU A 75 9.788 -8.797 -2.129 1.00 0.00 C ATOM 1148 CD GLU A 75 10.152 -10.255 -1.843 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.891 -10.487 -0.900 1.00 0.00 O ATOM 1150 OE2 GLU A 75 9.686 -11.115 -2.572 1.00 0.00 O ATOM 0 H GLU A 75 8.547 -6.319 -2.462 1.00 0.00 H new ATOM 0 HA GLU A 75 11.164 -5.898 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.763 -8.098 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.471 -8.156 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.968 -8.482 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.443 -8.692 -3.158 1.00 0.00 H new ATOM 1157 N ASP A 76 11.939 -5.004 -3.354 1.00 0.00 N ATOM 1158 CA ASP A 76 12.304 -4.385 -4.659 1.00 0.00 C ATOM 1159 C ASP A 76 12.358 -5.466 -5.740 1.00 0.00 C ATOM 1160 O ASP A 76 13.141 -6.388 -5.590 1.00 0.00 O ATOM 1161 CB ASP A 76 13.674 -3.714 -4.540 1.00 0.00 C ATOM 1162 CG ASP A 76 14.623 -4.627 -3.759 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.297 -5.792 -3.603 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.660 -4.146 -3.334 1.00 0.00 O ATOM 1165 OXT ASP A 76 11.614 -5.353 -6.702 1.00 0.00 O ATOM 0 H ASP A 76 12.526 -4.732 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 76 11.556 -3.639 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.080 -3.513 -5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.578 -2.753 -4.034 1.00 0.00 H new