USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=11 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+ -141:sc= -0.446 (180deg=-2.01!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00692 USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0385) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.987 (180deg=-1.94) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.273 F(o=-1.6,f=-0.27) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -112:sc= -1.14 (180deg=-2.72!) USER MOD Single : A 62 MET CE :methyl -145:sc= -0.0662 (180deg=-1.33) USER MOD Single : A 66 THR OG1 : rot 127:sc= 0.878 USER MOD Single : A 69 SER OG : rot -10:sc= 0.442! USER MOD Single : A 70 MET CE :methyl -168:sc= -1.77 (180deg=-2.47) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -9.188 7.053 -0.259 1.00 0.00 N ATOM 124 CA PRO A 8 -9.339 5.787 0.477 1.00 0.00 C ATOM 125 C PRO A 8 -8.130 5.562 1.392 1.00 0.00 C ATOM 126 O PRO A 8 -7.180 6.318 1.355 1.00 0.00 O ATOM 127 CB PRO A 8 -9.391 4.731 -0.630 1.00 0.00 C ATOM 128 CG PRO A 8 -8.715 5.363 -1.869 1.00 0.00 C ATOM 129 CD PRO A 8 -8.767 6.889 -1.666 1.00 0.00 C ATOM 0 HA PRO A 8 -10.219 5.763 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.871 3.823 -0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.421 4.450 -0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.685 5.020 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.234 5.075 -2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.795 7.348 -1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.474 7.358 -2.351 1.00 0.00 H new ATOM 137 N PRO A 9 -8.203 4.526 2.184 1.00 0.00 N ATOM 138 CA PRO A 9 -7.125 4.171 3.120 1.00 0.00 C ATOM 139 C PRO A 9 -5.969 3.512 2.364 1.00 0.00 C ATOM 140 O PRO A 9 -6.172 2.721 1.466 1.00 0.00 O ATOM 141 CB PRO A 9 -7.793 3.185 4.082 1.00 0.00 C ATOM 142 CG PRO A 9 -9.016 2.606 3.332 1.00 0.00 C ATOM 143 CD PRO A 9 -9.363 3.611 2.218 1.00 0.00 C ATOM 0 HA PRO A 9 -6.698 5.030 3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.102 2.392 4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.101 3.686 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.786 1.627 2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.859 2.472 4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.504 3.111 1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.287 4.146 2.438 1.00 0.00 H new ATOM 151 N ALA A 10 -4.757 3.838 2.714 1.00 0.00 N ATOM 152 CA ALA A 10 -3.594 3.234 2.008 1.00 0.00 C ATOM 153 C ALA A 10 -3.583 1.721 2.224 1.00 0.00 C ATOM 154 O ALA A 10 -2.852 1.002 1.578 1.00 0.00 O ATOM 155 CB ALA A 10 -2.297 3.833 2.557 1.00 0.00 C ATOM 0 H ALA A 10 -4.522 4.496 3.457 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.674 3.445 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.445 3.391 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.298 4.911 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.223 3.624 3.624 1.00 0.00 H new ATOM 161 N ALA A 11 -4.381 1.230 3.133 1.00 0.00 N ATOM 162 CA ALA A 11 -4.402 -0.238 3.388 1.00 0.00 C ATOM 163 C ALA A 11 -5.462 -0.916 2.512 1.00 0.00 C ATOM 164 O ALA A 11 -6.000 -1.944 2.871 1.00 0.00 O ATOM 165 CB ALA A 11 -4.723 -0.492 4.862 1.00 0.00 C ATOM 0 H ALA A 11 -5.018 1.781 3.709 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.424 -0.653 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.739 -1.565 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.961 -0.025 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.698 -0.067 5.101 1.00 0.00 H new ATOM 171 N VAL A 12 -5.778 -0.356 1.375 1.00 0.00 N ATOM 172 CA VAL A 12 -6.812 -0.991 0.510 1.00 0.00 C ATOM 173 C VAL A 12 -6.368 -0.989 -0.959 1.00 0.00 C ATOM 174 O VAL A 12 -6.754 -1.845 -1.728 1.00 0.00 O ATOM 175 CB VAL A 12 -8.122 -0.218 0.638 1.00 0.00 C ATOM 176 CG1 VAL A 12 -7.892 1.249 0.271 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.152 -0.822 -0.312 1.00 0.00 C ATOM 0 H VAL A 12 -5.369 0.505 1.011 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.950 -2.023 0.834 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.484 -0.280 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.829 1.798 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.151 1.680 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.532 1.315 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.091 -0.275 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.785 -0.755 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.317 -1.868 -0.053 1.00 0.00 H new ATOM 187 N LEU A 13 -5.576 -0.034 -1.362 1.00 0.00 N ATOM 188 CA LEU A 13 -5.135 0.012 -2.788 1.00 0.00 C ATOM 189 C LEU A 13 -3.888 -0.850 -2.982 1.00 0.00 C ATOM 190 O LEU A 13 -3.608 -1.309 -4.072 1.00 0.00 O ATOM 191 CB LEU A 13 -4.823 1.459 -3.175 1.00 0.00 C ATOM 192 CG LEU A 13 -6.021 2.345 -2.835 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.560 3.796 -2.678 1.00 0.00 C ATOM 194 CD2 LEU A 13 -7.053 2.256 -3.963 1.00 0.00 C ATOM 0 H LEU A 13 -5.215 0.714 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.933 -0.375 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.937 1.806 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.601 1.522 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.469 2.007 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.416 4.426 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.824 3.859 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.111 4.138 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.909 2.887 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.602 2.594 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.383 1.223 -4.073 1.00 0.00 H new ATOM 206 N LEU A 14 -3.139 -1.083 -1.942 1.00 0.00 N ATOM 207 CA LEU A 14 -1.918 -1.927 -2.092 1.00 0.00 C ATOM 208 C LEU A 14 -2.351 -3.347 -2.449 1.00 0.00 C ATOM 209 O LEU A 14 -1.778 -3.986 -3.308 1.00 0.00 O ATOM 210 CB LEU A 14 -1.121 -1.942 -0.784 1.00 0.00 C ATOM 211 CG LEU A 14 -1.305 -0.612 -0.049 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.228 -0.468 1.028 1.00 0.00 C ATOM 213 CD2 LEU A 14 -1.185 0.550 -1.041 1.00 0.00 C ATOM 0 H LEU A 14 -3.315 -0.730 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.283 -1.519 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.455 -2.766 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.064 -2.109 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.292 -0.594 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.360 0.479 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.313 -1.290 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.757 -0.491 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.317 1.494 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.200 0.530 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.953 0.454 -1.809 1.00 0.00 H new ATOM 225 N LYS A 15 -3.373 -3.837 -1.805 1.00 0.00 N ATOM 226 CA LYS A 15 -3.860 -5.208 -2.116 1.00 0.00 C ATOM 227 C LYS A 15 -4.277 -5.261 -3.587 1.00 0.00 C ATOM 228 O LYS A 15 -4.446 -6.320 -4.157 1.00 0.00 O ATOM 229 CB LYS A 15 -5.066 -5.536 -1.234 1.00 0.00 C ATOM 230 CG LYS A 15 -4.588 -5.921 0.167 1.00 0.00 C ATOM 231 CD LYS A 15 -5.770 -5.874 1.138 1.00 0.00 C ATOM 232 CE LYS A 15 -5.578 -6.925 2.232 1.00 0.00 C ATOM 233 NZ LYS A 15 -5.355 -8.260 1.607 1.00 0.00 N ATOM 0 H LYS A 15 -3.892 -3.347 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.069 -5.933 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.733 -4.676 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.638 -6.354 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.154 -6.921 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.805 -5.238 0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.849 -4.882 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.701 -6.058 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.728 -6.660 2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.455 -6.956 2.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.850 -8.989 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.723 -8.254 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.337 -8.470 1.591 1.00 0.00 H new ATOM 247 N LYS A 16 -4.445 -4.122 -4.205 1.00 0.00 N ATOM 248 CA LYS A 16 -4.851 -4.104 -5.638 1.00 0.00 C ATOM 249 C LYS A 16 -3.648 -4.457 -6.515 1.00 0.00 C ATOM 250 O LYS A 16 -3.762 -5.189 -7.478 1.00 0.00 O ATOM 251 CB LYS A 16 -5.357 -2.709 -6.011 1.00 0.00 C ATOM 252 CG LYS A 16 -5.768 -2.694 -7.485 1.00 0.00 C ATOM 253 CD LYS A 16 -6.009 -1.253 -7.935 1.00 0.00 C ATOM 254 CE LYS A 16 -7.211 -1.206 -8.883 1.00 0.00 C ATOM 255 NZ LYS A 16 -6.772 -1.566 -10.260 1.00 0.00 N ATOM 0 H LYS A 16 -4.318 -3.204 -3.778 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.645 -4.834 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.206 -2.438 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.578 -1.968 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.989 -3.151 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.672 -3.286 -7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.191 -0.616 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.122 -0.864 -8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.983 -1.897 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.652 -0.209 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.588 -1.534 -10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.050 -0.890 -10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.371 -2.526 -10.257 1.00 0.00 H new ATOM 269 N ALA A 17 -2.494 -3.938 -6.192 1.00 0.00 N ATOM 270 CA ALA A 17 -1.285 -4.237 -7.011 1.00 0.00 C ATOM 271 C ALA A 17 -0.945 -5.726 -6.907 1.00 0.00 C ATOM 272 O ALA A 17 -0.270 -6.277 -7.755 1.00 0.00 O ATOM 273 CB ALA A 17 -0.105 -3.410 -6.496 1.00 0.00 C ATOM 0 H ALA A 17 -2.337 -3.320 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.484 -3.984 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.780 -3.627 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.343 -2.349 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.090 -3.664 -5.454 1.00 0.00 H new ATOM 279 N ALA A 18 -1.400 -6.382 -5.874 1.00 0.00 N ATOM 280 CA ALA A 18 -1.096 -7.833 -5.722 1.00 0.00 C ATOM 281 C ALA A 18 -2.170 -8.661 -6.431 1.00 0.00 C ATOM 282 O ALA A 18 -1.876 -9.492 -7.266 1.00 0.00 O ATOM 283 CB ALA A 18 -1.070 -8.194 -4.236 1.00 0.00 C ATOM 0 H ALA A 18 -1.968 -5.976 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.124 -8.048 -6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.848 -9.255 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.302 -7.607 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.042 -7.978 -3.792 1.00 0.00 H new ATOM 289 N GLY A 19 -3.414 -8.442 -6.104 1.00 0.00 N ATOM 290 CA GLY A 19 -4.504 -9.219 -6.760 1.00 0.00 C ATOM 291 C GLY A 19 -5.346 -9.926 -5.693 1.00 0.00 C ATOM 292 O GLY A 19 -5.958 -10.944 -5.948 1.00 0.00 O ATOM 0 H GLY A 19 -3.723 -7.759 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.133 -8.554 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.080 -9.951 -7.447 1.00 0.00 H new ATOM 485 N ALA A 33 0.834 -13.989 -1.743 1.00 0.00 N ATOM 486 CA ALA A 33 0.536 -12.580 -2.122 1.00 0.00 C ATOM 487 C ALA A 33 1.804 -11.733 -1.998 1.00 0.00 C ATOM 488 O ALA A 33 2.186 -11.326 -0.918 1.00 0.00 O ATOM 489 CB ALA A 33 -0.543 -12.022 -1.192 1.00 0.00 C ATOM 0 HA ALA A 33 0.182 -12.550 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.763 -10.991 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.448 -12.623 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.188 -12.055 -0.162 1.00 0.00 H new ATOM 495 N THR A 34 2.459 -11.460 -3.095 1.00 0.00 N ATOM 496 CA THR A 34 3.699 -10.636 -3.038 1.00 0.00 C ATOM 497 C THR A 34 3.463 -9.309 -3.759 1.00 0.00 C ATOM 498 O THR A 34 2.656 -9.218 -4.663 1.00 0.00 O ATOM 499 CB THR A 34 4.849 -11.382 -3.721 1.00 0.00 C ATOM 500 OG1 THR A 34 4.318 -12.335 -4.631 1.00 0.00 O ATOM 501 CG2 THR A 34 5.696 -12.093 -2.667 1.00 0.00 C ATOM 0 H THR A 34 2.188 -11.772 -4.027 1.00 0.00 H new ATOM 0 HA THR A 34 3.956 -10.448 -1.996 1.00 0.00 H new ATOM 0 HB THR A 34 5.473 -10.672 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.052 -12.812 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.514 -12.623 -3.155 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.103 -11.359 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.076 -12.805 -2.122 1.00 0.00 H new ATOM 509 N ILE A 35 4.163 -8.280 -3.369 1.00 0.00 N ATOM 510 CA ILE A 35 3.978 -6.960 -4.037 1.00 0.00 C ATOM 511 C ILE A 35 5.341 -6.334 -4.327 1.00 0.00 C ATOM 512 O ILE A 35 6.071 -5.970 -3.427 1.00 0.00 O ATOM 513 CB ILE A 35 3.181 -6.028 -3.124 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.738 -6.529 -3.019 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.185 -4.615 -3.710 1.00 0.00 C ATOM 516 CD1 ILE A 35 0.899 -5.511 -2.245 1.00 0.00 C ATOM 0 H ILE A 35 4.854 -8.295 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 35 3.437 -7.106 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 35 3.636 -6.014 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.320 -6.678 -4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.713 -7.495 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.617 -3.950 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.211 -4.257 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.730 -4.630 -4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.128 -5.868 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.313 -5.384 -1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.914 -4.555 -2.768 1.00 0.00 H new ATOM 528 N LYS A 36 5.687 -6.198 -5.578 1.00 0.00 N ATOM 529 CA LYS A 36 6.999 -5.586 -5.920 1.00 0.00 C ATOM 530 C LYS A 36 7.098 -4.209 -5.261 1.00 0.00 C ATOM 531 O LYS A 36 6.102 -3.593 -4.940 1.00 0.00 O ATOM 532 CB LYS A 36 7.110 -5.433 -7.438 1.00 0.00 C ATOM 533 CG LYS A 36 6.893 -6.791 -8.107 1.00 0.00 C ATOM 534 CD LYS A 36 6.081 -6.606 -9.390 1.00 0.00 C ATOM 535 CE LYS A 36 5.482 -7.949 -9.810 1.00 0.00 C ATOM 536 NZ LYS A 36 6.573 -8.864 -10.247 1.00 0.00 N ATOM 0 H LYS A 36 5.118 -6.484 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 36 7.806 -6.224 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.370 -4.717 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.091 -5.038 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.853 -7.253 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.370 -7.463 -7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.288 -5.876 -9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.718 -6.215 -10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.934 -8.391 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.768 -7.803 -10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.160 -9.732 -10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.151 -8.393 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.171 -9.106 -9.431 1.00 0.00 H new ATOM 550 N ARG A 37 8.289 -3.720 -5.061 1.00 0.00 N ATOM 551 CA ARG A 37 8.445 -2.384 -4.430 1.00 0.00 C ATOM 552 C ARG A 37 8.177 -1.310 -5.480 1.00 0.00 C ATOM 553 O ARG A 37 7.702 -0.233 -5.181 1.00 0.00 O ATOM 554 CB ARG A 37 9.871 -2.239 -3.903 1.00 0.00 C ATOM 555 CG ARG A 37 9.840 -1.541 -2.544 1.00 0.00 C ATOM 556 CD ARG A 37 9.209 -2.471 -1.508 1.00 0.00 C ATOM 557 NE ARG A 37 10.184 -2.719 -0.410 1.00 0.00 N ATOM 558 CZ ARG A 37 10.491 -1.759 0.420 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.023 -0.556 0.231 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.269 -2.003 1.440 1.00 0.00 N ATOM 0 H ARG A 37 9.161 -4.189 -5.308 1.00 0.00 H new ATOM 0 HA ARG A 37 7.742 -2.276 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.338 -3.220 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.474 -1.664 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.851 -1.271 -2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.270 -0.615 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.299 -2.024 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.922 -3.413 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 37 10.612 -3.639 -0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.416 -0.364 -0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.264 0.193 0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.636 -2.943 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.509 -1.254 2.089 1.00 0.00 H new ATOM 574 N ASP A 38 8.478 -1.602 -6.713 1.00 0.00 N ATOM 575 CA ASP A 38 8.241 -0.607 -7.791 1.00 0.00 C ATOM 576 C ASP A 38 6.742 -0.318 -7.889 1.00 0.00 C ATOM 577 O ASP A 38 6.324 0.660 -8.477 1.00 0.00 O ATOM 578 CB ASP A 38 8.742 -1.167 -9.123 1.00 0.00 C ATOM 579 CG ASP A 38 10.234 -1.482 -9.012 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.931 -0.726 -8.354 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.655 -2.474 -9.584 1.00 0.00 O ATOM 0 H ASP A 38 8.878 -2.488 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 38 8.777 0.314 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.187 -2.068 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.570 -0.445 -9.921 1.00 0.00 H new ATOM 586 N LYS A 39 5.929 -1.164 -7.316 1.00 0.00 N ATOM 587 CA LYS A 39 4.458 -0.942 -7.373 1.00 0.00 C ATOM 588 C LYS A 39 3.976 -0.354 -6.045 1.00 0.00 C ATOM 589 O LYS A 39 3.466 0.748 -5.992 1.00 0.00 O ATOM 590 CB LYS A 39 3.747 -2.274 -7.628 1.00 0.00 C ATOM 591 CG LYS A 39 2.834 -2.140 -8.847 1.00 0.00 C ATOM 592 CD LYS A 39 3.668 -2.236 -10.126 1.00 0.00 C ATOM 593 CE LYS A 39 3.723 -3.692 -10.593 1.00 0.00 C ATOM 594 NZ LYS A 39 4.018 -3.734 -12.053 1.00 0.00 N ATOM 0 H LYS A 39 6.222 -2.000 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 39 4.230 -0.248 -8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.480 -3.063 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.163 -2.560 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.077 -2.924 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.306 -1.187 -8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.232 -1.610 -10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.676 -1.863 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.491 -4.234 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.774 -4.187 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.056 -4.723 -12.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.271 -3.231 -12.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.934 -3.277 -12.235 1.00 0.00 H new ATOM 608 N VAL A 40 4.132 -1.079 -4.968 1.00 0.00 N ATOM 609 CA VAL A 40 3.681 -0.553 -3.649 1.00 0.00 C ATOM 610 C VAL A 40 4.163 0.894 -3.499 1.00 0.00 C ATOM 611 O VAL A 40 3.447 1.755 -3.027 1.00 0.00 O ATOM 612 CB VAL A 40 4.242 -1.445 -2.520 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.498 -0.825 -1.893 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.173 -1.616 -1.439 1.00 0.00 C ATOM 0 H VAL A 40 4.551 -2.009 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 40 2.593 -0.568 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 40 4.512 -2.411 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.869 -1.476 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.266 -0.708 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.252 0.151 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.562 -2.245 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.904 -0.640 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.290 -2.085 -1.872 1.00 0.00 H new ATOM 624 N ARG A 41 5.374 1.163 -3.901 1.00 0.00 N ATOM 625 CA ARG A 41 5.907 2.547 -3.790 1.00 0.00 C ATOM 626 C ARG A 41 5.177 3.451 -4.784 1.00 0.00 C ATOM 627 O ARG A 41 4.736 4.531 -4.445 1.00 0.00 O ATOM 628 CB ARG A 41 7.405 2.542 -4.104 1.00 0.00 C ATOM 629 CG ARG A 41 7.893 3.979 -4.294 1.00 0.00 C ATOM 630 CD ARG A 41 9.362 3.963 -4.722 1.00 0.00 C ATOM 631 NE ARG A 41 9.477 4.452 -6.124 1.00 0.00 N ATOM 632 CZ ARG A 41 10.581 5.019 -6.525 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.733 4.555 -6.125 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.534 6.049 -7.324 1.00 0.00 N ATOM 0 H ARG A 41 6.018 0.481 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 41 5.751 2.920 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.955 2.064 -3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.596 1.960 -5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.288 4.484 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.779 4.539 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.952 4.593 -4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.763 2.953 -4.644 1.00 0.00 H new ATOM 0 HE ARG A 41 8.694 4.344 -6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.769 3.750 -5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.597 4.997 -6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.633 6.412 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.398 6.492 -7.637 1.00 0.00 H new ATOM 648 N GLU A 42 5.041 3.018 -6.008 1.00 0.00 N ATOM 649 CA GLU A 42 4.333 3.855 -7.016 1.00 0.00 C ATOM 650 C GLU A 42 3.006 4.332 -6.427 1.00 0.00 C ATOM 651 O GLU A 42 2.515 5.394 -6.751 1.00 0.00 O ATOM 652 CB GLU A 42 4.061 3.025 -8.273 1.00 0.00 C ATOM 653 CG GLU A 42 3.730 3.958 -9.440 1.00 0.00 C ATOM 654 CD GLU A 42 4.214 3.331 -10.749 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.060 2.131 -10.901 1.00 0.00 O ATOM 656 OE2 GLU A 42 4.732 4.063 -11.578 1.00 0.00 O ATOM 0 H GLU A 42 5.389 2.123 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 42 4.952 4.714 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.933 2.417 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.233 2.339 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.655 4.134 -9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.206 4.927 -9.291 1.00 0.00 H new ATOM 663 N ILE A 43 2.421 3.552 -5.559 1.00 0.00 N ATOM 664 CA ILE A 43 1.128 3.958 -4.944 1.00 0.00 C ATOM 665 C ILE A 43 1.395 4.954 -3.816 1.00 0.00 C ATOM 666 O ILE A 43 0.758 5.985 -3.723 1.00 0.00 O ATOM 667 CB ILE A 43 0.423 2.725 -4.380 1.00 0.00 C ATOM 668 CG1 ILE A 43 0.169 1.723 -5.508 1.00 0.00 C ATOM 669 CG2 ILE A 43 -0.912 3.139 -3.759 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.269 0.385 -4.911 1.00 0.00 C ATOM 0 H ILE A 43 2.784 2.650 -5.250 1.00 0.00 H new ATOM 0 HA ILE A 43 0.495 4.424 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 43 1.052 2.265 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.600 2.103 -6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.074 1.590 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.415 2.259 -3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.734 3.854 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.541 3.599 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.450 -0.330 -5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.515 0.004 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.185 0.525 -4.336 1.00 0.00 H new ATOM 682 N ALA A 44 2.331 4.657 -2.958 1.00 0.00 N ATOM 683 CA ALA A 44 2.638 5.591 -1.839 1.00 0.00 C ATOM 684 C ALA A 44 2.997 6.965 -2.414 1.00 0.00 C ATOM 685 O ALA A 44 2.898 7.974 -1.745 1.00 0.00 O ATOM 686 CB ALA A 44 3.816 5.049 -1.025 1.00 0.00 C ATOM 0 H ALA A 44 2.896 3.808 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 44 1.767 5.683 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.039 5.734 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.558 4.071 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.691 4.956 -1.669 1.00 0.00 H new ATOM 692 N GLU A 45 3.410 7.009 -3.652 1.00 0.00 N ATOM 693 CA GLU A 45 3.771 8.316 -4.273 1.00 0.00 C ATOM 694 C GLU A 45 2.533 8.921 -4.938 1.00 0.00 C ATOM 695 O GLU A 45 2.360 10.123 -4.975 1.00 0.00 O ATOM 696 CB GLU A 45 4.861 8.100 -5.325 1.00 0.00 C ATOM 697 CG GLU A 45 5.651 9.397 -5.518 1.00 0.00 C ATOM 698 CD GLU A 45 5.349 9.983 -6.899 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.562 9.285 -7.877 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.912 11.120 -6.955 1.00 0.00 O ATOM 0 H GLU A 45 3.513 6.197 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 45 4.140 8.994 -3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.529 7.298 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.413 7.791 -6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.386 10.115 -4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.719 9.202 -5.421 1.00 0.00 H new ATOM 707 N LEU A 46 1.668 8.095 -5.463 1.00 0.00 N ATOM 708 CA LEU A 46 0.441 8.624 -6.123 1.00 0.00 C ATOM 709 C LEU A 46 -0.395 9.385 -5.093 1.00 0.00 C ATOM 710 O LEU A 46 -0.780 10.518 -5.302 1.00 0.00 O ATOM 711 CB LEU A 46 -0.378 7.459 -6.682 1.00 0.00 C ATOM 712 CG LEU A 46 -0.218 7.402 -8.202 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.131 5.973 -8.623 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.530 7.821 -8.868 1.00 0.00 C ATOM 0 H LEU A 46 1.758 7.079 -5.463 1.00 0.00 H new ATOM 0 HA LEU A 46 0.721 9.294 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.047 6.521 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.429 7.582 -6.421 1.00 0.00 H new ATOM 0 HG LEU A 46 0.579 8.078 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.245 5.930 -9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.064 5.671 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.668 5.298 -8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.417 7.781 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.327 7.143 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.782 8.838 -8.567 1.00 0.00 H new ATOM 726 N LYS A 47 -0.678 8.767 -3.979 1.00 0.00 N ATOM 727 CA LYS A 47 -1.488 9.448 -2.930 1.00 0.00 C ATOM 728 C LYS A 47 -0.556 10.194 -1.975 1.00 0.00 C ATOM 729 O LYS A 47 -0.841 10.347 -0.806 1.00 0.00 O ATOM 730 CB LYS A 47 -2.286 8.403 -2.149 1.00 0.00 C ATOM 731 CG LYS A 47 -3.339 7.778 -3.065 1.00 0.00 C ATOM 732 CD LYS A 47 -4.689 8.455 -2.822 1.00 0.00 C ATOM 733 CE LYS A 47 -5.151 8.179 -1.389 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.662 6.839 -0.954 1.00 0.00 N ATOM 0 H LYS A 47 -0.383 7.818 -3.750 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.173 10.155 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.618 7.632 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.767 8.866 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.044 7.893 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.416 6.708 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.604 9.529 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.428 8.081 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.772 8.951 -0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.239 8.216 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.232 6.505 -0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.747 6.166 -1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.665 6.910 -0.665 1.00 0.00 H new ATOM 748 N MET A 48 0.560 10.652 -2.464 1.00 0.00 N ATOM 749 CA MET A 48 1.518 11.383 -1.589 1.00 0.00 C ATOM 750 C MET A 48 0.914 12.711 -1.100 1.00 0.00 C ATOM 751 O MET A 48 1.060 13.048 0.058 1.00 0.00 O ATOM 752 CB MET A 48 2.810 11.656 -2.362 1.00 0.00 C ATOM 753 CG MET A 48 3.774 12.453 -1.481 1.00 0.00 C ATOM 754 SD MET A 48 4.329 13.925 -2.375 1.00 0.00 S ATOM 755 CE MET A 48 5.896 14.145 -1.500 1.00 0.00 C ATOM 0 H MET A 48 0.852 10.552 -3.436 1.00 0.00 H new ATOM 0 HA MET A 48 1.733 10.764 -0.718 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.271 10.716 -2.665 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.590 12.211 -3.274 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.281 12.742 -0.553 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.630 11.835 -1.208 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.416 15.016 -1.899 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.702 14.293 -0.438 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.516 13.259 -1.635 1.00 0.00 H new ATOM 765 N PRO A 49 0.263 13.439 -1.981 1.00 0.00 N ATOM 766 CA PRO A 49 -0.346 14.734 -1.623 1.00 0.00 C ATOM 767 C PRO A 49 -1.666 14.523 -0.874 1.00 0.00 C ATOM 768 O PRO A 49 -2.355 15.466 -0.540 1.00 0.00 O ATOM 769 CB PRO A 49 -0.584 15.408 -2.976 1.00 0.00 C ATOM 770 CG PRO A 49 -0.637 14.276 -4.025 1.00 0.00 C ATOM 771 CD PRO A 49 0.065 13.055 -3.396 1.00 0.00 C ATOM 0 HA PRO A 49 0.281 15.331 -0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.515 15.975 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.216 16.112 -3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.668 14.038 -4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.137 14.578 -4.946 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.545 12.156 -3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.015 12.844 -3.888 1.00 0.00 H new ATOM 779 N ASP A 50 -2.021 13.297 -0.604 1.00 0.00 N ATOM 780 CA ASP A 50 -3.293 13.038 0.128 1.00 0.00 C ATOM 781 C ASP A 50 -2.979 12.403 1.484 1.00 0.00 C ATOM 782 O ASP A 50 -3.863 11.981 2.204 1.00 0.00 O ATOM 783 CB ASP A 50 -4.170 12.090 -0.691 1.00 0.00 C ATOM 784 CG ASP A 50 -4.158 12.523 -2.157 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.628 13.585 -2.437 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.679 11.784 -2.976 1.00 0.00 O ATOM 0 H ASP A 50 -1.487 12.466 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.823 13.978 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.803 11.068 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.190 12.098 -0.307 1.00 0.00 H new ATOM 791 N LEU A 51 -1.725 12.336 1.841 1.00 0.00 N ATOM 792 CA LEU A 51 -1.353 11.733 3.149 1.00 0.00 C ATOM 793 C LEU A 51 -0.429 12.697 3.896 1.00 0.00 C ATOM 794 O LEU A 51 0.305 12.310 4.784 1.00 0.00 O ATOM 795 CB LEU A 51 -0.630 10.401 2.916 1.00 0.00 C ATOM 796 CG LEU A 51 -1.329 9.619 1.801 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.322 8.688 1.121 1.00 0.00 C ATOM 798 CD2 LEU A 51 -2.467 8.786 2.395 1.00 0.00 C ATOM 0 H LEU A 51 -0.942 12.674 1.281 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.251 11.552 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.410 10.584 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.624 9.815 3.835 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.733 10.318 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.820 8.131 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.490 9.278 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.082 7.991 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.964 8.230 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.063 8.088 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.186 9.446 2.880 1.00 0.00 H new ATOM 810 N ASN A 52 -0.461 13.952 3.538 1.00 0.00 N ATOM 811 CA ASN A 52 0.413 14.946 4.220 1.00 0.00 C ATOM 812 C ASN A 52 1.816 14.360 4.390 1.00 0.00 C ATOM 813 O ASN A 52 2.452 14.527 5.412 1.00 0.00 O ATOM 814 CB ASN A 52 -0.169 15.286 5.594 1.00 0.00 C ATOM 815 CG ASN A 52 -1.583 15.845 5.424 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.531 15.069 4.972 1.00 0.00 O flip ATOM 817 ND2 ASN A 52 -1.829 17.002 5.707 1.00 0.00 N flip ATOM 0 H ASN A 52 -1.056 14.331 2.801 1.00 0.00 H new ATOM 0 HA ASN A 52 0.468 15.852 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.191 14.395 6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.464 16.016 6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.089 17.609 6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.775 17.365 5.591 1.00 0.00 H new ATOM 824 N ALA A 53 2.306 13.676 3.392 1.00 0.00 N ATOM 825 CA ALA A 53 3.668 13.082 3.494 1.00 0.00 C ATOM 826 C ALA A 53 4.701 14.097 3.003 1.00 0.00 C ATOM 827 O ALA A 53 4.536 14.717 1.971 1.00 0.00 O ATOM 828 CB ALA A 53 3.742 11.819 2.631 1.00 0.00 C ATOM 0 H ALA A 53 1.822 13.503 2.511 1.00 0.00 H new ATOM 0 HA ALA A 53 3.876 12.823 4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.739 11.385 2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.004 11.096 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.535 12.076 1.592 1.00 0.00 H new ATOM 834 N ALA A 54 5.765 14.274 3.737 1.00 0.00 N ATOM 835 CA ALA A 54 6.807 15.250 3.313 1.00 0.00 C ATOM 836 C ALA A 54 7.577 14.685 2.118 1.00 0.00 C ATOM 837 O ALA A 54 8.051 15.416 1.272 1.00 0.00 O ATOM 838 CB ALA A 54 7.773 15.502 4.472 1.00 0.00 C ATOM 0 H ALA A 54 5.957 13.785 4.611 1.00 0.00 H new ATOM 0 HA ALA A 54 6.332 16.189 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.535 16.216 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.223 15.905 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.249 14.565 4.759 1.00 0.00 H new ATOM 844 N SER A 55 7.707 13.388 2.043 1.00 0.00 N ATOM 845 CA SER A 55 8.446 12.779 0.903 1.00 0.00 C ATOM 846 C SER A 55 7.980 11.334 0.700 1.00 0.00 C ATOM 847 O SER A 55 7.158 10.824 1.438 1.00 0.00 O ATOM 848 CB SER A 55 9.945 12.790 1.204 1.00 0.00 C ATOM 849 OG SER A 55 10.141 12.806 2.612 1.00 0.00 O ATOM 0 H SER A 55 7.333 12.725 2.722 1.00 0.00 H new ATOM 0 HA SER A 55 8.250 13.354 -0.002 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.421 11.912 0.769 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.412 13.664 0.750 1.00 0.00 H new ATOM 0 HG SER A 55 11.101 12.811 2.809 1.00 0.00 H new ATOM 855 N ILE A 56 8.503 10.670 -0.295 1.00 0.00 N ATOM 856 CA ILE A 56 8.095 9.260 -0.543 1.00 0.00 C ATOM 857 C ILE A 56 8.471 8.409 0.667 1.00 0.00 C ATOM 858 O ILE A 56 7.685 7.625 1.148 1.00 0.00 O ATOM 859 CB ILE A 56 8.817 8.724 -1.775 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.813 9.783 -2.880 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.108 7.465 -2.276 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.404 10.361 -3.029 1.00 0.00 C ATOM 0 H ILE A 56 9.194 11.043 -0.945 1.00 0.00 H new ATOM 0 HA ILE A 56 7.018 9.219 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 56 9.846 8.483 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.520 10.577 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.138 9.342 -3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.624 7.083 -3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.116 6.707 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.078 7.707 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.401 11.115 -3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.709 9.563 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.097 10.817 -2.088 1.00 0.00 H new ATOM 874 N GLU A 57 9.669 8.558 1.164 1.00 0.00 N ATOM 875 CA GLU A 57 10.079 7.757 2.350 1.00 0.00 C ATOM 876 C GLU A 57 9.033 7.937 3.450 1.00 0.00 C ATOM 877 O GLU A 57 8.913 7.129 4.349 1.00 0.00 O ATOM 878 CB GLU A 57 11.437 8.243 2.858 1.00 0.00 C ATOM 879 CG GLU A 57 12.375 8.481 1.674 1.00 0.00 C ATOM 880 CD GLU A 57 13.822 8.259 2.121 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.058 7.304 2.842 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.668 9.049 1.735 1.00 0.00 O ATOM 0 H GLU A 57 10.377 9.196 0.802 1.00 0.00 H new ATOM 0 HA GLU A 57 10.156 6.705 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.314 9.164 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.869 7.505 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.127 7.803 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.251 9.496 1.295 1.00 0.00 H new ATOM 889 N ALA A 58 8.272 8.996 3.381 1.00 0.00 N ATOM 890 CA ALA A 58 7.232 9.235 4.416 1.00 0.00 C ATOM 891 C ALA A 58 5.963 8.465 4.050 1.00 0.00 C ATOM 892 O ALA A 58 5.266 7.961 4.907 1.00 0.00 O ATOM 893 CB ALA A 58 6.918 10.731 4.488 1.00 0.00 C ATOM 0 H ALA A 58 8.328 9.706 2.650 1.00 0.00 H new ATOM 0 HA ALA A 58 7.598 8.894 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.155 10.907 5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.823 11.281 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.552 11.073 3.520 1.00 0.00 H new ATOM 899 N ALA A 59 5.653 8.364 2.784 1.00 0.00 N ATOM 900 CA ALA A 59 4.424 7.616 2.388 1.00 0.00 C ATOM 901 C ALA A 59 4.745 6.122 2.299 1.00 0.00 C ATOM 902 O ALA A 59 3.867 5.291 2.171 1.00 0.00 O ATOM 903 CB ALA A 59 3.929 8.118 1.029 1.00 0.00 C ATOM 0 H ALA A 59 6.191 8.762 2.015 1.00 0.00 H new ATOM 0 HA ALA A 59 3.646 7.777 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.032 7.569 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.698 9.181 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.704 7.961 0.279 1.00 0.00 H new ATOM 909 N MET A 60 5.999 5.773 2.376 1.00 0.00 N ATOM 910 CA MET A 60 6.380 4.338 2.303 1.00 0.00 C ATOM 911 C MET A 60 6.143 3.693 3.665 1.00 0.00 C ATOM 912 O MET A 60 6.091 2.487 3.792 1.00 0.00 O ATOM 913 CB MET A 60 7.857 4.218 1.924 1.00 0.00 C ATOM 914 CG MET A 60 8.040 4.577 0.449 1.00 0.00 C ATOM 915 SD MET A 60 9.742 4.217 -0.053 1.00 0.00 S ATOM 916 CE MET A 60 9.363 2.853 -1.179 1.00 0.00 C ATOM 0 H MET A 60 6.777 6.423 2.487 1.00 0.00 H new ATOM 0 HA MET A 60 5.777 3.833 1.548 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.458 4.881 2.547 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.208 3.203 2.108 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.341 4.009 -0.164 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.818 5.632 0.290 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.743 1.921 -0.762 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.283 2.778 -1.310 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.833 3.037 -2.145 1.00 0.00 H new ATOM 926 N ARG A 61 5.990 4.491 4.686 1.00 0.00 N ATOM 927 CA ARG A 61 5.743 3.925 6.038 1.00 0.00 C ATOM 928 C ARG A 61 4.283 3.482 6.123 1.00 0.00 C ATOM 929 O ARG A 61 3.929 2.615 6.896 1.00 0.00 O ATOM 930 CB ARG A 61 6.019 4.992 7.101 1.00 0.00 C ATOM 931 CG ARG A 61 6.890 4.397 8.209 1.00 0.00 C ATOM 932 CD ARG A 61 6.786 5.265 9.463 1.00 0.00 C ATOM 933 NE ARG A 61 5.971 4.556 10.490 1.00 0.00 N ATOM 934 CZ ARG A 61 5.565 5.191 11.556 1.00 0.00 C ATOM 935 NH1 ARG A 61 4.610 6.077 11.465 1.00 0.00 N ATOM 936 NH2 ARG A 61 6.114 4.940 12.712 1.00 0.00 N ATOM 0 H ARG A 61 6.026 5.509 4.640 1.00 0.00 H new ATOM 0 HA ARG A 61 6.401 3.074 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.521 5.848 6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.080 5.356 7.518 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.569 3.379 8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.927 4.339 7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.781 5.477 9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.329 6.224 9.218 1.00 0.00 H new ATOM 0 HE ARG A 61 5.730 3.573 10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.181 6.273 10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.293 6.573 12.298 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.860 4.248 12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.797 5.436 13.545 1.00 0.00 H new ATOM 950 N MET A 62 3.434 4.074 5.325 1.00 0.00 N ATOM 951 CA MET A 62 1.998 3.691 5.347 1.00 0.00 C ATOM 952 C MET A 62 1.759 2.563 4.340 1.00 0.00 C ATOM 953 O MET A 62 0.907 1.720 4.532 1.00 0.00 O ATOM 954 CB MET A 62 1.142 4.904 4.974 1.00 0.00 C ATOM 955 CG MET A 62 1.657 6.137 5.721 1.00 0.00 C ATOM 956 SD MET A 62 0.507 7.514 5.480 1.00 0.00 S ATOM 957 CE MET A 62 1.750 8.807 5.235 1.00 0.00 C ATOM 0 H MET A 62 3.677 4.807 4.659 1.00 0.00 H new ATOM 0 HA MET A 62 1.725 3.350 6.345 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.181 5.074 3.898 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.099 4.719 5.230 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.758 5.916 6.783 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.648 6.409 5.356 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.393 9.742 5.667 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.680 8.514 5.722 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.927 8.945 4.168 1.00 0.00 H new ATOM 967 N ILE A 63 2.503 2.538 3.265 1.00 0.00 N ATOM 968 CA ILE A 63 2.312 1.458 2.252 1.00 0.00 C ATOM 969 C ILE A 63 3.151 0.236 2.635 1.00 0.00 C ATOM 970 O ILE A 63 2.888 -0.869 2.205 1.00 0.00 O ATOM 971 CB ILE A 63 2.747 1.969 0.878 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.041 3.294 0.576 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.373 0.943 -0.192 1.00 0.00 C ATOM 974 CD1 ILE A 63 0.557 3.184 0.931 1.00 0.00 C ATOM 0 H ILE A 63 3.232 3.216 3.045 1.00 0.00 H new ATOM 0 HA ILE A 63 1.260 1.174 2.219 1.00 0.00 H new ATOM 0 HB ILE A 63 3.826 2.122 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.502 4.100 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.154 3.545 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.684 1.308 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.875 -0.002 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.294 0.790 -0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.060 4.130 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.100 2.390 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.453 2.954 1.991 1.00 0.00 H new ATOM 986 N GLU A 64 4.160 0.426 3.438 1.00 0.00 N ATOM 987 CA GLU A 64 5.016 -0.723 3.848 1.00 0.00 C ATOM 988 C GLU A 64 4.391 -1.430 5.054 1.00 0.00 C ATOM 989 O GLU A 64 3.786 -2.476 4.930 1.00 0.00 O ATOM 990 CB GLU A 64 6.408 -0.210 4.228 1.00 0.00 C ATOM 991 CG GLU A 64 7.189 0.143 2.961 1.00 0.00 C ATOM 992 CD GLU A 64 8.484 0.863 3.343 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.672 1.117 4.521 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.266 1.148 2.451 1.00 0.00 O ATOM 0 H GLU A 64 4.430 1.329 3.829 1.00 0.00 H new ATOM 0 HA GLU A 64 5.096 -1.426 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.321 0.667 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.943 -0.970 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.416 -0.762 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.585 0.778 2.314 1.00 0.00 H new ATOM 1001 N GLY A 65 4.541 -0.868 6.223 1.00 0.00 N ATOM 1002 CA GLY A 65 3.967 -1.506 7.443 1.00 0.00 C ATOM 1003 C GLY A 65 2.524 -1.942 7.178 1.00 0.00 C ATOM 1004 O GLY A 65 2.053 -2.919 7.725 1.00 0.00 O ATOM 0 H GLY A 65 5.038 0.008 6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.569 -2.368 7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.996 -0.805 8.277 1.00 0.00 H new ATOM 1008 N THR A 66 1.815 -1.227 6.349 1.00 0.00 N ATOM 1009 CA THR A 66 0.404 -1.608 6.062 1.00 0.00 C ATOM 1010 C THR A 66 0.378 -2.754 5.049 1.00 0.00 C ATOM 1011 O THR A 66 -0.357 -3.709 5.201 1.00 0.00 O ATOM 1012 CB THR A 66 -0.347 -0.404 5.489 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.159 0.716 6.342 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.838 -0.730 5.394 1.00 0.00 C ATOM 0 H THR A 66 2.151 -0.398 5.859 1.00 0.00 H new ATOM 0 HA THR A 66 -0.077 -1.929 6.986 1.00 0.00 H new ATOM 0 HB THR A 66 0.036 -0.174 4.495 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.171 1.475 5.817 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.373 0.128 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.981 -1.591 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.224 -0.959 6.387 1.00 0.00 H new ATOM 1022 N ALA A 67 1.172 -2.668 4.018 1.00 0.00 N ATOM 1023 CA ALA A 67 1.187 -3.756 2.999 1.00 0.00 C ATOM 1024 C ALA A 67 2.196 -4.830 3.412 1.00 0.00 C ATOM 1025 O ALA A 67 2.671 -5.594 2.595 1.00 0.00 O ATOM 1026 CB ALA A 67 1.585 -3.179 1.639 1.00 0.00 C ATOM 0 H ALA A 67 1.810 -1.893 3.837 1.00 0.00 H new ATOM 0 HA ALA A 67 0.193 -4.199 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.596 -3.975 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.866 -2.415 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.578 -2.734 1.709 1.00 0.00 H new ATOM 1032 N ARG A 68 2.528 -4.897 4.671 1.00 0.00 N ATOM 1033 CA ARG A 68 3.507 -5.923 5.129 1.00 0.00 C ATOM 1034 C ARG A 68 2.875 -6.778 6.230 1.00 0.00 C ATOM 1035 O ARG A 68 2.966 -7.990 6.217 1.00 0.00 O ATOM 1036 CB ARG A 68 4.753 -5.229 5.680 1.00 0.00 C ATOM 1037 CG ARG A 68 5.681 -4.848 4.525 1.00 0.00 C ATOM 1038 CD ARG A 68 6.828 -3.984 5.053 1.00 0.00 C ATOM 1039 NE ARG A 68 7.211 -4.448 6.416 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.639 -3.591 7.301 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.215 -2.485 6.913 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.487 -3.836 8.573 1.00 0.00 N ATOM 0 H ARG A 68 2.164 -4.286 5.403 1.00 0.00 H new ATOM 0 HA ARG A 68 3.785 -6.559 4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.468 -4.338 6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.272 -5.889 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.077 -5.746 4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.124 -4.304 3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.684 -4.047 4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.525 -2.938 5.085 1.00 0.00 H new ATOM 0 HE ARG A 68 7.138 -5.436 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.330 -2.292 5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.550 -1.814 7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.033 -4.698 8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.822 -3.166 9.265 1.00 0.00 H new ATOM 1056 N SER A 69 2.238 -6.157 7.183 1.00 0.00 N ATOM 1057 CA SER A 69 1.605 -6.933 8.286 1.00 0.00 C ATOM 1058 C SER A 69 0.173 -7.305 7.897 1.00 0.00 C ATOM 1059 O SER A 69 -0.494 -8.048 8.588 1.00 0.00 O ATOM 1060 CB SER A 69 1.584 -6.083 9.557 1.00 0.00 C ATOM 1061 OG SER A 69 0.806 -6.741 10.550 1.00 0.00 O ATOM 0 H SER A 69 2.128 -5.145 7.246 1.00 0.00 H new ATOM 0 HA SER A 69 2.178 -7.843 8.464 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.600 -5.926 9.920 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.166 -5.099 9.344 1.00 0.00 H new ATOM 0 HG SER A 69 0.335 -7.500 10.147 1.00 0.00 H new ATOM 1067 N MET A 70 -0.307 -6.797 6.794 1.00 0.00 N ATOM 1068 CA MET A 70 -1.696 -7.128 6.368 1.00 0.00 C ATOM 1069 C MET A 70 -1.708 -8.492 5.671 1.00 0.00 C ATOM 1070 O MET A 70 -2.726 -8.939 5.184 1.00 0.00 O ATOM 1071 CB MET A 70 -2.205 -6.060 5.398 1.00 0.00 C ATOM 1072 CG MET A 70 -3.097 -5.070 6.151 1.00 0.00 C ATOM 1073 SD MET A 70 -4.592 -4.748 5.184 1.00 0.00 S ATOM 1074 CE MET A 70 -3.769 -4.281 3.640 1.00 0.00 C ATOM 0 H MET A 70 0.201 -6.169 6.171 1.00 0.00 H new ATOM 0 HA MET A 70 -2.342 -7.161 7.245 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.364 -5.536 4.944 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.765 -6.527 4.588 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.363 -5.474 7.128 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.558 -4.139 6.327 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.496 -3.836 2.961 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.980 -3.559 3.852 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.335 -5.167 3.177 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.585 -9.155 5.621 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.537 -10.487 4.957 1.00 0.00 C ATOM 1086 C GLY A 71 0.121 -10.356 3.582 1.00 0.00 C ATOM 1087 O GLY A 71 0.292 -11.326 2.871 1.00 0.00 O ATOM 0 H GLY A 71 0.300 -8.832 6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.023 -11.191 5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.545 -10.888 4.851 1.00 0.00 H new ATOM 1091 N ILE A 72 0.490 -9.164 3.197 1.00 0.00 N ATOM 1092 CA ILE A 72 1.134 -8.981 1.866 1.00 0.00 C ATOM 1093 C ILE A 72 2.626 -8.703 2.054 1.00 0.00 C ATOM 1094 O ILE A 72 3.020 -7.941 2.914 1.00 0.00 O ATOM 1095 CB ILE A 72 0.484 -7.803 1.141 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -1.039 -7.948 1.201 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.938 -7.790 -0.319 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.696 -6.685 0.643 1.00 0.00 C ATOM 0 H ILE A 72 0.374 -8.312 3.745 1.00 0.00 H new ATOM 0 HA ILE A 72 1.005 -9.887 1.274 1.00 0.00 H new ATOM 0 HB ILE A 72 0.781 -6.870 1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.355 -8.819 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.359 -8.112 2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.475 -6.950 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.022 -7.689 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.641 -8.722 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.780 -6.789 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.390 -5.823 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.386 -6.541 -0.392 1.00 0.00 H new ATOM 1110 N VAL A 73 3.460 -9.313 1.257 1.00 0.00 N ATOM 1111 CA VAL A 73 4.923 -9.078 1.395 1.00 0.00 C ATOM 1112 C VAL A 73 5.379 -8.074 0.330 1.00 0.00 C ATOM 1113 O VAL A 73 4.677 -7.808 -0.626 1.00 0.00 O ATOM 1114 CB VAL A 73 5.673 -10.416 1.245 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.138 -10.628 -0.202 1.00 0.00 C ATOM 1116 CG2 VAL A 73 6.890 -10.418 2.172 1.00 0.00 C ATOM 0 H VAL A 73 3.191 -9.963 0.518 1.00 0.00 H new ATOM 0 HA VAL A 73 5.144 -8.665 2.379 1.00 0.00 H new ATOM 0 HB VAL A 73 4.993 -11.225 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.664 -11.579 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.273 -10.637 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.808 -9.818 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.424 -11.363 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.553 -9.595 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.561 -10.297 3.204 1.00 0.00 H new ATOM 1126 N VAL A 74 6.549 -7.522 0.485 1.00 0.00 N ATOM 1127 CA VAL A 74 7.044 -6.544 -0.521 1.00 0.00 C ATOM 1128 C VAL A 74 8.496 -6.897 -0.875 1.00 0.00 C ATOM 1129 O VAL A 74 9.303 -7.167 -0.008 1.00 0.00 O ATOM 1130 CB VAL A 74 6.937 -5.121 0.065 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.301 -4.618 0.560 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.401 -4.171 -1.006 1.00 0.00 C ATOM 0 H VAL A 74 7.183 -7.705 1.263 1.00 0.00 H new ATOM 0 HA VAL A 74 6.445 -6.583 -1.431 1.00 0.00 H new ATOM 0 HB VAL A 74 6.256 -5.151 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.192 -3.613 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.675 -5.285 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.005 -4.598 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.324 -3.165 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.080 -4.164 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.416 -4.506 -1.330 1.00 0.00 H new ATOM 1142 N GLU A 75 8.832 -6.907 -2.135 1.00 0.00 N ATOM 1143 CA GLU A 75 10.229 -7.253 -2.526 1.00 0.00 C ATOM 1144 C GLU A 75 10.878 -6.067 -3.242 1.00 0.00 C ATOM 1145 O GLU A 75 10.261 -5.405 -4.054 1.00 0.00 O ATOM 1146 CB GLU A 75 10.211 -8.466 -3.461 1.00 0.00 C ATOM 1147 CG GLU A 75 10.398 -9.748 -2.645 1.00 0.00 C ATOM 1148 CD GLU A 75 11.890 -9.998 -2.420 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.685 -9.383 -3.112 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.213 -10.803 -1.562 1.00 0.00 O ATOM 0 H GLU A 75 8.203 -6.692 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 75 10.804 -7.489 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.267 -8.504 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.004 -8.377 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.885 -9.660 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.952 -10.593 -3.169 1.00 0.00 H new ATOM 1157 N ASP A 76 12.122 -5.799 -2.951 1.00 0.00 N ATOM 1158 CA ASP A 76 12.817 -4.661 -3.616 1.00 0.00 C ATOM 1159 C ASP A 76 12.971 -4.965 -5.108 1.00 0.00 C ATOM 1160 O ASP A 76 13.566 -4.155 -5.799 1.00 0.00 O ATOM 1161 CB ASP A 76 14.203 -4.473 -2.992 1.00 0.00 C ATOM 1162 CG ASP A 76 14.380 -3.015 -2.566 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.384 -2.378 -2.268 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.512 -2.559 -2.547 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.490 -6.003 -5.533 1.00 0.00 O ATOM 0 H ASP A 76 12.687 -6.320 -2.281 1.00 0.00 H new ATOM 0 HA ASP A 76 12.232 -3.751 -3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.317 -5.131 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.976 -4.749 -3.709 1.00 0.00 H new