USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 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= 0.0425 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 130:sc= -3.31! (180deg=-4.95!) USER MOD Single : A 47 LYS NZ :NH3+ -119:sc= -0.0265 (180deg=-1.96!) USER MOD Single : A 48 MET CE :methyl 158:sc= -4.27 (180deg=-5.71!) USER MOD Single : A 52 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -108:sc=-0.00285 (180deg=-0.493) USER MOD Single : A 62 MET CE :methyl -168:sc= -0.0825 (180deg=-0.464) USER MOD Single : A 66 THR OG1 : rot 81:sc= 0.879 USER MOD Single : A 69 SER OG : rot -89:sc= 0.161 USER MOD Single : A 70 MET CE :methyl -172:sc= -5.18! (180deg=-5.57!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -9.043 7.344 0.511 1.00 0.00 N ATOM 124 CA PRO A 8 -9.234 5.971 1.016 1.00 0.00 C ATOM 125 C PRO A 8 -7.987 5.502 1.778 1.00 0.00 C ATOM 126 O PRO A 8 -6.990 6.195 1.815 1.00 0.00 O ATOM 127 CB PRO A 8 -9.441 5.146 -0.258 1.00 0.00 C ATOM 128 CG PRO A 8 -8.809 5.958 -1.413 1.00 0.00 C ATOM 129 CD PRO A 8 -8.733 7.420 -0.933 1.00 0.00 C ATOM 0 HA PRO A 8 -10.066 5.882 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.969 4.168 -0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.502 4.973 -0.440 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.817 5.578 -1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.412 5.878 -2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.744 7.845 -1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.448 8.050 -1.461 1.00 0.00 H new ATOM 137 N PRO A 9 -8.086 4.334 2.363 1.00 0.00 N ATOM 138 CA PRO A 9 -6.979 3.737 3.133 1.00 0.00 C ATOM 139 C PRO A 9 -5.917 3.171 2.188 1.00 0.00 C ATOM 140 O PRO A 9 -6.171 2.256 1.431 1.00 0.00 O ATOM 141 CB PRO A 9 -7.656 2.619 3.930 1.00 0.00 C ATOM 142 CG PRO A 9 -8.957 2.269 3.170 1.00 0.00 C ATOM 143 CD PRO A 9 -9.305 3.500 2.310 1.00 0.00 C ATOM 0 HA PRO A 9 -6.464 4.455 3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.005 1.748 4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.876 2.945 4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.816 1.387 2.546 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.764 2.041 3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.549 3.215 1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.169 4.032 2.707 1.00 0.00 H new ATOM 151 N ALA A 10 -4.731 3.713 2.226 1.00 0.00 N ATOM 152 CA ALA A 10 -3.651 3.212 1.330 1.00 0.00 C ATOM 153 C ALA A 10 -3.671 1.682 1.299 1.00 0.00 C ATOM 154 O ALA A 10 -3.288 1.069 0.324 1.00 0.00 O ATOM 155 CB ALA A 10 -2.294 3.690 1.853 1.00 0.00 C ATOM 0 H ALA A 10 -4.463 4.482 2.840 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.813 3.595 0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.503 3.324 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.275 4.780 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.137 3.307 2.861 1.00 0.00 H new ATOM 161 N ALA A 11 -4.113 1.062 2.359 1.00 0.00 N ATOM 162 CA ALA A 11 -4.153 -0.428 2.391 1.00 0.00 C ATOM 163 C ALA A 11 -5.091 -0.947 1.298 1.00 0.00 C ATOM 164 O ALA A 11 -4.723 -1.784 0.498 1.00 0.00 O ATOM 165 CB ALA A 11 -4.661 -0.896 3.756 1.00 0.00 C ATOM 0 H ALA A 11 -4.448 1.523 3.205 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.149 -0.816 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.690 -1.985 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.992 -0.534 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.663 -0.502 3.926 1.00 0.00 H new ATOM 171 N VAL A 12 -6.302 -0.462 1.262 1.00 0.00 N ATOM 172 CA VAL A 12 -7.264 -0.935 0.227 1.00 0.00 C ATOM 173 C VAL A 12 -6.636 -0.814 -1.162 1.00 0.00 C ATOM 174 O VAL A 12 -7.070 -1.448 -2.104 1.00 0.00 O ATOM 175 CB VAL A 12 -8.534 -0.086 0.287 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.212 1.350 -0.131 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.579 -0.672 -0.664 1.00 0.00 C ATOM 0 H VAL A 12 -6.667 0.241 1.905 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.511 -1.979 0.418 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.924 -0.086 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.119 1.954 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.466 1.767 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.822 1.354 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.486 -0.069 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.187 -0.670 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.810 -1.695 -0.366 1.00 0.00 H new ATOM 187 N LEU A 13 -5.621 -0.007 -1.305 1.00 0.00 N ATOM 188 CA LEU A 13 -4.979 0.145 -2.641 1.00 0.00 C ATOM 189 C LEU A 13 -3.854 -0.879 -2.790 1.00 0.00 C ATOM 190 O LEU A 13 -3.623 -1.404 -3.861 1.00 0.00 O ATOM 191 CB LEU A 13 -4.411 1.559 -2.779 1.00 0.00 C ATOM 192 CG LEU A 13 -5.550 2.541 -3.065 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.253 3.879 -2.386 1.00 0.00 C ATOM 194 CD2 LEU A 13 -5.672 2.753 -4.574 1.00 0.00 C ATOM 0 H LEU A 13 -5.210 0.552 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.722 -0.022 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.891 1.845 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.678 1.591 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.485 2.136 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.064 4.578 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.165 3.729 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.318 4.284 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.483 3.452 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.737 3.158 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.883 1.800 -5.059 1.00 0.00 H new ATOM 206 N LEU A 14 -3.153 -1.174 -1.730 1.00 0.00 N ATOM 207 CA LEU A 14 -2.051 -2.171 -1.832 1.00 0.00 C ATOM 208 C LEU A 14 -2.647 -3.544 -2.142 1.00 0.00 C ATOM 209 O LEU A 14 -2.356 -4.142 -3.158 1.00 0.00 O ATOM 210 CB LEU A 14 -1.276 -2.226 -0.511 1.00 0.00 C ATOM 211 CG LEU A 14 -1.176 -0.823 0.104 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.008 -0.778 1.071 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.964 0.223 -0.998 1.00 0.00 C ATOM 0 H LEU A 14 -3.294 -0.771 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.367 -1.881 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.775 -2.901 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.277 -2.627 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.101 -0.602 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.082 0.217 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.140 -1.513 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.927 -1.006 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.895 1.214 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.042 0.003 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.804 0.196 -1.692 1.00 0.00 H new ATOM 225 N LYS A 15 -3.488 -4.047 -1.279 1.00 0.00 N ATOM 226 CA LYS A 15 -4.107 -5.376 -1.537 1.00 0.00 C ATOM 227 C LYS A 15 -4.826 -5.340 -2.886 1.00 0.00 C ATOM 228 O LYS A 15 -5.128 -6.363 -3.468 1.00 0.00 O ATOM 229 CB LYS A 15 -5.114 -5.697 -0.429 1.00 0.00 C ATOM 230 CG LYS A 15 -4.382 -5.811 0.908 1.00 0.00 C ATOM 231 CD LYS A 15 -4.906 -7.026 1.677 1.00 0.00 C ATOM 232 CE LYS A 15 -6.297 -6.719 2.233 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.105 -7.971 2.271 1.00 0.00 N ATOM 0 H LYS A 15 -3.772 -3.596 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.333 -6.144 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.873 -4.916 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.632 -6.630 -0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.310 -5.909 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.531 -4.904 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.949 -7.894 1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.225 -7.276 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.215 -6.296 3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.792 -5.973 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.051 -7.762 2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.194 -8.356 1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.635 -8.669 2.881 1.00 0.00 H new ATOM 247 N LYS A 16 -5.104 -4.167 -3.390 1.00 0.00 N ATOM 248 CA LYS A 16 -5.802 -4.063 -4.701 1.00 0.00 C ATOM 249 C LYS A 16 -4.801 -4.301 -5.834 1.00 0.00 C ATOM 250 O LYS A 16 -5.089 -4.980 -6.799 1.00 0.00 O ATOM 251 CB LYS A 16 -6.411 -2.667 -4.847 1.00 0.00 C ATOM 252 CG LYS A 16 -7.119 -2.556 -6.199 1.00 0.00 C ATOM 253 CD LYS A 16 -8.286 -1.573 -6.086 1.00 0.00 C ATOM 254 CE LYS A 16 -8.605 -0.997 -7.466 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.706 0.487 -7.373 1.00 0.00 N ATOM 0 H LYS A 16 -4.877 -3.276 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.592 -4.812 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.118 -2.481 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.632 -1.909 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.418 -2.218 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.483 -3.535 -6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.162 -2.078 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.032 -0.769 -5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.827 -1.276 -8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.541 -1.413 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.923 0.880 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.463 0.742 -6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.802 0.876 -7.035 1.00 0.00 H new ATOM 269 N ALA A 17 -3.626 -3.743 -5.725 1.00 0.00 N ATOM 270 CA ALA A 17 -2.607 -3.932 -6.796 1.00 0.00 C ATOM 271 C ALA A 17 -2.239 -5.415 -6.903 1.00 0.00 C ATOM 272 O ALA A 17 -2.280 -5.998 -7.968 1.00 0.00 O ATOM 273 CB ALA A 17 -1.357 -3.120 -6.456 1.00 0.00 C ATOM 0 H ALA A 17 -3.328 -3.164 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.016 -3.593 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.610 -3.257 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.618 -2.064 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.951 -3.459 -5.503 1.00 0.00 H new ATOM 279 N ALA A 18 -1.879 -6.030 -5.809 1.00 0.00 N ATOM 280 CA ALA A 18 -1.507 -7.472 -5.854 1.00 0.00 C ATOM 281 C ALA A 18 -2.679 -8.288 -6.406 1.00 0.00 C ATOM 282 O ALA A 18 -2.498 -9.204 -7.182 1.00 0.00 O ATOM 283 CB ALA A 18 -1.169 -7.955 -4.443 1.00 0.00 C ATOM 0 H ALA A 18 -1.827 -5.596 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.640 -7.602 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.897 -9.010 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.333 -7.376 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.036 -7.824 -3.796 1.00 0.00 H new ATOM 289 N GLY A 19 -3.879 -7.963 -6.010 1.00 0.00 N ATOM 290 CA GLY A 19 -5.058 -8.722 -6.513 1.00 0.00 C ATOM 291 C GLY A 19 -5.444 -9.805 -5.502 1.00 0.00 C ATOM 292 O GLY A 19 -5.561 -10.967 -5.838 1.00 0.00 O ATOM 0 H GLY A 19 -4.094 -7.206 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.897 -8.045 -6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.826 -9.176 -7.476 1.00 0.00 H new ATOM 485 N ALA A 33 1.238 -13.853 -1.444 1.00 0.00 N ATOM 486 CA ALA A 33 1.098 -12.664 -2.330 1.00 0.00 C ATOM 487 C ALA A 33 2.279 -11.714 -2.118 1.00 0.00 C ATOM 488 O ALA A 33 2.404 -11.078 -1.089 1.00 0.00 O ATOM 489 CB ALA A 33 -0.206 -11.935 -1.998 1.00 0.00 C ATOM 0 HA ALA A 33 1.083 -12.991 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.311 -11.064 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.049 -12.608 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.188 -11.613 -0.957 1.00 0.00 H new ATOM 495 N THR A 34 3.143 -11.603 -3.090 1.00 0.00 N ATOM 496 CA THR A 34 4.307 -10.684 -2.951 1.00 0.00 C ATOM 497 C THR A 34 4.014 -9.401 -3.729 1.00 0.00 C ATOM 498 O THR A 34 3.219 -9.391 -4.646 1.00 0.00 O ATOM 499 CB THR A 34 5.565 -11.347 -3.517 1.00 0.00 C ATOM 500 OG1 THR A 34 5.190 -12.369 -4.430 1.00 0.00 O ATOM 501 CG2 THR A 34 6.382 -11.953 -2.376 1.00 0.00 C ATOM 0 H THR A 34 3.093 -12.109 -3.974 1.00 0.00 H new ATOM 0 HA THR A 34 4.471 -10.455 -1.898 1.00 0.00 H new ATOM 0 HB THR A 34 6.168 -10.601 -4.035 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.995 -12.793 -4.795 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.278 -12.425 -2.780 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.670 -11.167 -1.677 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.782 -12.700 -1.856 1.00 0.00 H new ATOM 509 N ILE A 35 4.642 -8.318 -3.372 1.00 0.00 N ATOM 510 CA ILE A 35 4.381 -7.045 -4.101 1.00 0.00 C ATOM 511 C ILE A 35 5.702 -6.334 -4.396 1.00 0.00 C ATOM 512 O ILE A 35 6.573 -6.246 -3.553 1.00 0.00 O ATOM 513 CB ILE A 35 3.496 -6.142 -3.243 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.097 -6.751 -3.138 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.399 -4.760 -3.890 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.153 -5.745 -2.476 1.00 0.00 C ATOM 0 H ILE A 35 5.320 -8.257 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 35 3.877 -7.266 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 35 3.930 -6.049 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.728 -7.015 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.132 -7.672 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.768 -4.115 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.395 -4.324 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.965 -4.854 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.155 -6.178 -2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.520 -5.503 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.110 -4.837 -3.077 1.00 0.00 H new ATOM 528 N LYS A 36 5.854 -5.824 -5.586 1.00 0.00 N ATOM 529 CA LYS A 36 7.114 -5.114 -5.939 1.00 0.00 C ATOM 530 C LYS A 36 7.152 -3.764 -5.220 1.00 0.00 C ATOM 531 O LYS A 36 6.133 -3.142 -4.995 1.00 0.00 O ATOM 532 CB LYS A 36 7.164 -4.886 -7.453 1.00 0.00 C ATOM 533 CG LYS A 36 7.546 -6.191 -8.155 1.00 0.00 C ATOM 534 CD LYS A 36 7.499 -5.989 -9.671 1.00 0.00 C ATOM 535 CE LYS A 36 8.832 -6.422 -10.286 1.00 0.00 C ATOM 536 NZ LYS A 36 8.693 -6.506 -11.767 1.00 0.00 N ATOM 0 H LYS A 36 5.158 -5.868 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 36 7.970 -5.716 -5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.195 -4.539 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.889 -4.108 -7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.545 -6.501 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.862 -6.987 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.683 -6.570 -10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.302 -4.942 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.614 -5.710 -10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.133 -7.389 -9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.599 -6.800 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.959 -7.202 -12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.424 -5.575 -12.144 1.00 0.00 H new ATOM 550 N ARG A 37 8.320 -3.300 -4.866 1.00 0.00 N ATOM 551 CA ARG A 37 8.419 -1.987 -4.172 1.00 0.00 C ATOM 552 C ARG A 37 8.181 -0.881 -5.192 1.00 0.00 C ATOM 553 O ARG A 37 7.690 0.184 -4.874 1.00 0.00 O ATOM 554 CB ARG A 37 9.817 -1.832 -3.576 1.00 0.00 C ATOM 555 CG ARG A 37 9.719 -1.171 -2.200 1.00 0.00 C ATOM 556 CD ARG A 37 9.154 -2.169 -1.188 1.00 0.00 C ATOM 557 NE ARG A 37 9.748 -1.902 0.152 1.00 0.00 N ATOM 558 CZ ARG A 37 11.041 -1.958 0.313 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.660 -3.105 0.233 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.717 -0.868 0.554 1.00 0.00 N ATOM 0 H ARG A 37 9.209 -3.774 -5.028 1.00 0.00 H new ATOM 0 HA ARG A 37 7.678 -1.929 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.296 -2.807 -3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.440 -1.229 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.703 -0.830 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.079 -0.291 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.069 -2.082 -1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.379 -3.189 -1.501 1.00 0.00 H new ATOM 0 HE ARG A 37 9.144 -1.676 0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.132 -3.957 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.671 -3.149 0.359 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.234 0.028 0.617 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.728 -0.912 0.680 1.00 0.00 H new ATOM 574 N ASP A 38 8.530 -1.131 -6.420 1.00 0.00 N ATOM 575 CA ASP A 38 8.331 -0.103 -7.474 1.00 0.00 C ATOM 576 C ASP A 38 6.834 0.129 -7.687 1.00 0.00 C ATOM 577 O ASP A 38 6.414 1.192 -8.100 1.00 0.00 O ATOM 578 CB ASP A 38 8.966 -0.582 -8.781 1.00 0.00 C ATOM 579 CG ASP A 38 9.427 0.627 -9.596 1.00 0.00 C ATOM 580 OD1 ASP A 38 8.681 1.589 -9.666 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.518 0.570 -10.138 1.00 0.00 O ATOM 0 H ASP A 38 8.946 -2.006 -6.740 1.00 0.00 H new ATOM 0 HA ASP A 38 8.801 0.830 -7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.812 -1.235 -8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.247 -1.168 -9.354 1.00 0.00 H new ATOM 586 N LYS A 39 6.026 -0.857 -7.408 1.00 0.00 N ATOM 587 CA LYS A 39 4.556 -0.691 -7.597 1.00 0.00 C ATOM 588 C LYS A 39 3.932 -0.150 -6.309 1.00 0.00 C ATOM 589 O LYS A 39 3.332 0.906 -6.296 1.00 0.00 O ATOM 590 CB LYS A 39 3.929 -2.044 -7.934 1.00 0.00 C ATOM 591 CG LYS A 39 3.511 -2.063 -9.405 1.00 0.00 C ATOM 592 CD LYS A 39 2.349 -1.090 -9.617 1.00 0.00 C ATOM 593 CE LYS A 39 1.063 -1.696 -9.051 1.00 0.00 C ATOM 594 NZ LYS A 39 0.622 -0.909 -7.865 1.00 0.00 N ATOM 0 H LYS A 39 6.319 -1.769 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 39 4.373 0.009 -8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.641 -2.845 -7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.063 -2.224 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.354 -1.783 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.214 -3.070 -9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.562 -0.140 -9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.227 -0.879 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.283 -1.695 -9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.232 -2.735 -8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.383 -0.663 -7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.755 -1.476 -7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.187 -0.038 -7.797 1.00 0.00 H new ATOM 608 N VAL A 40 4.064 -0.866 -5.225 1.00 0.00 N ATOM 609 CA VAL A 40 3.471 -0.390 -3.944 1.00 0.00 C ATOM 610 C VAL A 40 3.882 1.069 -3.705 1.00 0.00 C ATOM 611 O VAL A 40 3.084 1.892 -3.304 1.00 0.00 O ATOM 612 CB VAL A 40 3.952 -1.299 -2.793 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.101 -0.645 -2.012 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.781 -1.567 -1.845 1.00 0.00 C ATOM 0 H VAL A 40 4.556 -1.758 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 40 2.383 -0.437 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 40 4.318 -2.233 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.418 -1.309 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.940 -0.462 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.762 0.301 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.113 -2.209 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.418 -0.623 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.977 -2.061 -2.391 1.00 0.00 H new ATOM 624 N ARG A 41 5.124 1.391 -3.951 1.00 0.00 N ATOM 625 CA ARG A 41 5.587 2.793 -3.741 1.00 0.00 C ATOM 626 C ARG A 41 4.912 3.709 -4.761 1.00 0.00 C ATOM 627 O ARG A 41 4.496 4.805 -4.444 1.00 0.00 O ATOM 628 CB ARG A 41 7.106 2.865 -3.921 1.00 0.00 C ATOM 629 CG ARG A 41 7.575 4.305 -3.708 1.00 0.00 C ATOM 630 CD ARG A 41 9.019 4.451 -4.191 1.00 0.00 C ATOM 631 NE ARG A 41 9.040 4.517 -5.680 1.00 0.00 N ATOM 632 CZ ARG A 41 10.107 4.942 -6.299 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.657 6.072 -5.951 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.626 4.234 -7.266 1.00 0.00 N ATOM 0 H ARG A 41 5.837 0.744 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 41 5.326 3.113 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.599 2.201 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.382 2.525 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.928 4.993 -4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.505 4.568 -2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.465 5.352 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.617 3.608 -3.845 1.00 0.00 H new ATOM 0 HE ARG A 41 8.220 4.230 -6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.253 6.624 -5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.491 6.404 -6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.197 3.349 -7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.460 4.566 -7.750 1.00 0.00 H new ATOM 648 N GLU A 42 4.800 3.270 -5.986 1.00 0.00 N ATOM 649 CA GLU A 42 4.151 4.119 -7.024 1.00 0.00 C ATOM 650 C GLU A 42 2.773 4.558 -6.528 1.00 0.00 C ATOM 651 O GLU A 42 2.358 5.682 -6.730 1.00 0.00 O ATOM 652 CB GLU A 42 4.001 3.319 -8.319 1.00 0.00 C ATOM 653 CG GLU A 42 4.577 4.123 -9.486 1.00 0.00 C ATOM 654 CD GLU A 42 3.541 4.208 -10.608 1.00 0.00 C ATOM 655 OE1 GLU A 42 2.600 3.432 -10.580 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.706 5.048 -11.478 1.00 0.00 O ATOM 0 H GLU A 42 5.130 2.361 -6.312 1.00 0.00 H new ATOM 0 HA GLU A 42 4.766 4.998 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.519 2.364 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.950 3.096 -8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.850 5.124 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.488 3.650 -9.853 1.00 0.00 H new ATOM 663 N ILE A 43 2.062 3.681 -5.874 1.00 0.00 N ATOM 664 CA ILE A 43 0.714 4.052 -5.360 1.00 0.00 C ATOM 665 C ILE A 43 0.878 5.075 -4.235 1.00 0.00 C ATOM 666 O ILE A 43 0.152 6.047 -4.154 1.00 0.00 O ATOM 667 CB ILE A 43 0.012 2.805 -4.821 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.134 1.775 -5.944 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.375 3.185 -4.299 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.346 0.386 -5.339 1.00 0.00 C ATOM 0 H ILE A 43 2.356 2.725 -5.674 1.00 0.00 H new ATOM 0 HA ILE A 43 0.115 4.480 -6.164 1.00 0.00 H new ATOM 0 HB ILE A 43 0.603 2.379 -4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.976 2.037 -6.584 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.757 1.778 -6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.875 2.296 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.274 3.919 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.965 3.611 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.450 -0.347 -6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.510 0.126 -4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.250 0.389 -4.730 1.00 0.00 H new ATOM 682 N ALA A 44 1.833 4.866 -3.369 1.00 0.00 N ATOM 683 CA ALA A 44 2.050 5.826 -2.252 1.00 0.00 C ATOM 684 C ALA A 44 2.569 7.148 -2.819 1.00 0.00 C ATOM 685 O ALA A 44 2.541 8.171 -2.163 1.00 0.00 O ATOM 686 CB ALA A 44 3.078 5.250 -1.277 1.00 0.00 C ATOM 0 H ALA A 44 2.472 4.071 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 44 1.110 5.996 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.237 5.953 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.711 4.305 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.020 5.081 -1.799 1.00 0.00 H new ATOM 692 N GLU A 45 3.038 7.137 -4.037 1.00 0.00 N ATOM 693 CA GLU A 45 3.554 8.391 -4.649 1.00 0.00 C ATOM 694 C GLU A 45 2.385 9.154 -5.272 1.00 0.00 C ATOM 695 O GLU A 45 2.349 10.368 -5.270 1.00 0.00 O ATOM 696 CB GLU A 45 4.585 8.050 -5.727 1.00 0.00 C ATOM 697 CG GLU A 45 5.980 7.996 -5.099 1.00 0.00 C ATOM 698 CD GLU A 45 7.022 8.434 -6.130 1.00 0.00 C ATOM 699 OE1 GLU A 45 7.136 9.628 -6.356 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.689 7.570 -6.676 1.00 0.00 O ATOM 0 H GLU A 45 3.085 6.312 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 45 4.030 9.008 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.344 7.091 -6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.560 8.798 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.022 8.646 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.196 6.985 -4.755 1.00 0.00 H new ATOM 707 N LEU A 46 1.419 8.446 -5.793 1.00 0.00 N ATOM 708 CA LEU A 46 0.242 9.127 -6.401 1.00 0.00 C ATOM 709 C LEU A 46 -0.521 9.859 -5.299 1.00 0.00 C ATOM 710 O LEU A 46 -0.906 11.002 -5.446 1.00 0.00 O ATOM 711 CB LEU A 46 -0.673 8.086 -7.050 1.00 0.00 C ATOM 712 CG LEU A 46 -0.937 8.474 -8.505 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.886 7.455 -9.141 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.576 9.863 -8.554 1.00 0.00 C ATOM 0 H LEU A 46 1.395 7.427 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 46 0.573 9.835 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.210 7.100 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.614 8.022 -6.503 1.00 0.00 H new ATOM 0 HG LEU A 46 0.005 8.486 -9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.074 7.731 -10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.433 6.464 -9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.828 7.443 -8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.765 10.140 -9.591 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.518 9.850 -8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.902 10.590 -8.101 1.00 0.00 H new ATOM 726 N LYS A 47 -0.731 9.209 -4.186 1.00 0.00 N ATOM 727 CA LYS A 47 -1.459 9.863 -3.063 1.00 0.00 C ATOM 728 C LYS A 47 -0.452 10.617 -2.190 1.00 0.00 C ATOM 729 O LYS A 47 -0.761 11.047 -1.096 1.00 0.00 O ATOM 730 CB LYS A 47 -2.169 8.799 -2.221 1.00 0.00 C ATOM 731 CG LYS A 47 -2.822 7.763 -3.140 1.00 0.00 C ATOM 732 CD LYS A 47 -3.002 6.448 -2.377 1.00 0.00 C ATOM 733 CE LYS A 47 -3.826 6.698 -1.112 1.00 0.00 C ATOM 734 NZ LYS A 47 -5.238 6.988 -1.488 1.00 0.00 N ATOM 0 H LYS A 47 -0.429 8.251 -4.007 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.199 10.558 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.455 8.311 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.925 9.266 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.788 8.128 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.203 7.602 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.501 5.714 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.029 6.032 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.784 5.826 -0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.408 7.535 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.495 7.941 -1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.340 6.936 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.866 6.289 -1.043 1.00 0.00 H new ATOM 748 N MET A 48 0.752 10.779 -2.668 1.00 0.00 N ATOM 749 CA MET A 48 1.786 11.501 -1.877 1.00 0.00 C ATOM 750 C MET A 48 1.284 12.902 -1.489 1.00 0.00 C ATOM 751 O MET A 48 1.432 13.304 -0.352 1.00 0.00 O ATOM 752 CB MET A 48 3.077 11.606 -2.703 1.00 0.00 C ATOM 753 CG MET A 48 3.974 12.715 -2.141 1.00 0.00 C ATOM 754 SD MET A 48 4.401 12.335 -0.424 1.00 0.00 S ATOM 755 CE MET A 48 6.015 13.155 -0.407 1.00 0.00 C ATOM 0 H MET A 48 1.064 10.440 -3.578 1.00 0.00 H new ATOM 0 HA MET A 48 1.989 10.946 -0.961 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.608 10.654 -2.685 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.835 11.816 -3.745 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.880 12.804 -2.741 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.461 13.675 -2.195 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.292 13.391 0.620 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.764 12.493 -0.842 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.962 14.075 -0.989 1.00 0.00 H new ATOM 765 N PRO A 49 0.707 13.613 -2.432 1.00 0.00 N ATOM 766 CA PRO A 49 0.190 14.970 -2.180 1.00 0.00 C ATOM 767 C PRO A 49 -1.142 14.897 -1.430 1.00 0.00 C ATOM 768 O PRO A 49 -1.632 15.883 -0.914 1.00 0.00 O ATOM 769 CB PRO A 49 0.006 15.556 -3.582 1.00 0.00 C ATOM 770 CG PRO A 49 -0.115 14.352 -4.544 1.00 0.00 C ATOM 771 CD PRO A 49 0.510 13.144 -3.822 1.00 0.00 C ATOM 0 HA PRO A 49 0.852 15.576 -1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.886 16.181 -3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.852 16.187 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.159 14.158 -4.791 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.403 14.553 -5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.146 12.275 -3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.454 12.851 -4.281 1.00 0.00 H new ATOM 779 N ASP A 50 -1.727 13.733 -1.358 1.00 0.00 N ATOM 780 CA ASP A 50 -3.020 13.590 -0.633 1.00 0.00 C ATOM 781 C ASP A 50 -2.789 12.813 0.666 1.00 0.00 C ATOM 782 O ASP A 50 -3.706 12.563 1.423 1.00 0.00 O ATOM 783 CB ASP A 50 -4.019 12.834 -1.512 1.00 0.00 C ATOM 784 CG ASP A 50 -4.179 13.565 -2.846 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.332 14.387 -3.155 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.146 13.290 -3.537 1.00 0.00 O ATOM 0 H ASP A 50 -1.364 12.874 -1.771 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.419 14.577 -0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.671 11.815 -1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.982 12.762 -1.007 1.00 0.00 H new ATOM 791 N LEU A 51 -1.569 12.427 0.931 1.00 0.00 N ATOM 792 CA LEU A 51 -1.279 11.666 2.179 1.00 0.00 C ATOM 793 C LEU A 51 -0.603 12.590 3.196 1.00 0.00 C ATOM 794 O LEU A 51 -0.423 12.238 4.345 1.00 0.00 O ATOM 795 CB LEU A 51 -0.347 10.496 1.858 1.00 0.00 C ATOM 796 CG LEU A 51 -1.170 9.306 1.364 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.291 8.396 0.505 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.697 8.519 2.565 1.00 0.00 C ATOM 0 H LEU A 51 -0.761 12.607 0.336 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.211 11.286 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.376 10.792 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.220 10.216 2.746 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.008 9.667 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.879 7.548 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.085 8.956 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.548 8.034 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.284 7.670 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.858 8.159 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.325 9.166 3.177 1.00 0.00 H new ATOM 810 N ASN A 52 -0.224 13.768 2.781 1.00 0.00 N ATOM 811 CA ASN A 52 0.444 14.711 3.722 1.00 0.00 C ATOM 812 C ASN A 52 1.827 14.171 4.092 1.00 0.00 C ATOM 813 O ASN A 52 2.400 14.542 5.096 1.00 0.00 O ATOM 814 CB ASN A 52 -0.402 14.855 4.991 1.00 0.00 C ATOM 815 CG ASN A 52 -0.683 16.335 5.255 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.059 17.194 4.820 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.732 16.673 5.954 1.00 0.00 N ATOM 0 H ASN A 52 -0.348 14.118 1.831 1.00 0.00 H new ATOM 0 HA ASN A 52 0.549 15.684 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.340 14.311 4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.121 14.417 5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.929 17.657 6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.355 15.953 6.319 1.00 0.00 H new ATOM 824 N ALA A 53 2.368 13.297 3.287 1.00 0.00 N ATOM 825 CA ALA A 53 3.713 12.736 3.596 1.00 0.00 C ATOM 826 C ALA A 53 4.792 13.739 3.181 1.00 0.00 C ATOM 827 O ALA A 53 4.763 14.282 2.094 1.00 0.00 O ATOM 828 CB ALA A 53 3.910 11.427 2.828 1.00 0.00 C ATOM 0 H ALA A 53 1.937 12.948 2.431 1.00 0.00 H new ATOM 0 HA ALA A 53 3.788 12.543 4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.894 11.017 3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.142 10.712 3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.834 11.618 1.758 1.00 0.00 H new ATOM 834 N ALA A 54 5.742 13.991 4.038 1.00 0.00 N ATOM 835 CA ALA A 54 6.820 14.960 3.692 1.00 0.00 C ATOM 836 C ALA A 54 7.687 14.383 2.572 1.00 0.00 C ATOM 837 O ALA A 54 8.319 15.107 1.829 1.00 0.00 O ATOM 838 CB ALA A 54 7.689 15.217 4.925 1.00 0.00 C ATOM 0 H ALA A 54 5.819 13.568 4.963 1.00 0.00 H new ATOM 0 HA ALA A 54 6.372 15.896 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.478 15.926 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.073 15.629 5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.136 14.280 5.257 1.00 0.00 H new ATOM 844 N SER A 55 7.724 13.086 2.444 1.00 0.00 N ATOM 845 CA SER A 55 8.552 12.468 1.371 1.00 0.00 C ATOM 846 C SER A 55 8.124 11.013 1.169 1.00 0.00 C ATOM 847 O SER A 55 7.151 10.558 1.736 1.00 0.00 O ATOM 848 CB SER A 55 10.025 12.516 1.776 1.00 0.00 C ATOM 849 OG SER A 55 10.135 12.277 3.173 1.00 0.00 O ATOM 0 H SER A 55 7.217 12.428 3.036 1.00 0.00 H new ATOM 0 HA SER A 55 8.412 13.018 0.441 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.591 11.768 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.451 13.488 1.527 1.00 0.00 H new ATOM 0 HG SER A 55 11.079 12.305 3.436 1.00 0.00 H new ATOM 855 N ILE A 56 8.843 10.279 0.364 1.00 0.00 N ATOM 856 CA ILE A 56 8.472 8.855 0.130 1.00 0.00 C ATOM 857 C ILE A 56 8.763 8.038 1.389 1.00 0.00 C ATOM 858 O ILE A 56 7.943 7.274 1.847 1.00 0.00 O ATOM 859 CB ILE A 56 9.288 8.298 -1.033 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.219 9.267 -2.215 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.720 6.941 -1.450 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.755 9.590 -2.523 1.00 0.00 C ATOM 0 H ILE A 56 9.669 10.603 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 56 7.410 8.794 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 56 10.326 8.177 -0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.763 10.182 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.697 8.826 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.302 6.543 -2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.770 6.251 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.682 7.061 -1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.704 10.280 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.225 8.671 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.292 10.049 -1.649 1.00 0.00 H new ATOM 874 N GLU A 57 9.925 8.192 1.957 1.00 0.00 N ATOM 875 CA GLU A 57 10.248 7.419 3.186 1.00 0.00 C ATOM 876 C GLU A 57 9.073 7.515 4.162 1.00 0.00 C ATOM 877 O GLU A 57 8.884 6.665 5.009 1.00 0.00 O ATOM 878 CB GLU A 57 11.511 7.987 3.835 1.00 0.00 C ATOM 879 CG GLU A 57 12.719 7.154 3.403 1.00 0.00 C ATOM 880 CD GLU A 57 13.824 7.271 4.455 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.737 6.579 5.455 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.738 8.050 4.241 1.00 0.00 O ATOM 0 H GLU A 57 10.661 8.816 1.626 1.00 0.00 H new ATOM 0 HA GLU A 57 10.422 6.374 2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.648 9.028 3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.414 7.972 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.429 6.111 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.085 7.499 2.436 1.00 0.00 H new ATOM 889 N ALA A 58 8.276 8.545 4.047 1.00 0.00 N ATOM 890 CA ALA A 58 7.112 8.694 4.963 1.00 0.00 C ATOM 891 C ALA A 58 5.881 8.018 4.350 1.00 0.00 C ATOM 892 O ALA A 58 5.058 7.461 5.049 1.00 0.00 O ATOM 893 CB ALA A 58 6.821 10.181 5.180 1.00 0.00 C ATOM 0 H ALA A 58 8.383 9.289 3.357 1.00 0.00 H new ATOM 0 HA ALA A 58 7.343 8.223 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.969 10.291 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.694 10.662 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.593 10.650 4.223 1.00 0.00 H new ATOM 899 N ALA A 59 5.742 8.066 3.050 1.00 0.00 N ATOM 900 CA ALA A 59 4.555 7.429 2.404 1.00 0.00 C ATOM 901 C ALA A 59 4.783 5.921 2.275 1.00 0.00 C ATOM 902 O ALA A 59 4.051 5.122 2.825 1.00 0.00 O ATOM 903 CB ALA A 59 4.342 8.033 1.015 1.00 0.00 C ATOM 0 H ALA A 59 6.396 8.517 2.410 1.00 0.00 H new ATOM 0 HA ALA A 59 3.673 7.609 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.476 7.567 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.172 9.106 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.226 7.857 0.402 1.00 0.00 H new ATOM 909 N MET A 60 5.794 5.523 1.556 1.00 0.00 N ATOM 910 CA MET A 60 6.070 4.070 1.400 1.00 0.00 C ATOM 911 C MET A 60 6.111 3.435 2.786 1.00 0.00 C ATOM 912 O MET A 60 5.901 2.250 2.949 1.00 0.00 O ATOM 913 CB MET A 60 7.420 3.876 0.705 1.00 0.00 C ATOM 914 CG MET A 60 7.289 2.802 -0.376 1.00 0.00 C ATOM 915 SD MET A 60 8.408 1.429 0.000 1.00 0.00 S ATOM 916 CE MET A 60 9.923 2.191 -0.629 1.00 0.00 C ATOM 0 H MET A 60 6.442 6.143 1.069 1.00 0.00 H new ATOM 0 HA MET A 60 5.291 3.603 0.797 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.751 4.815 0.261 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.177 3.584 1.433 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.261 2.444 -0.426 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.528 3.223 -1.353 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.218 1.702 -1.557 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.747 3.250 -0.817 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.719 2.081 0.108 1.00 0.00 H new ATOM 926 N ARG A 61 6.372 4.227 3.787 1.00 0.00 N ATOM 927 CA ARG A 61 6.420 3.690 5.170 1.00 0.00 C ATOM 928 C ARG A 61 5.050 3.119 5.531 1.00 0.00 C ATOM 929 O ARG A 61 4.933 2.018 6.027 1.00 0.00 O ATOM 930 CB ARG A 61 6.778 4.819 6.134 1.00 0.00 C ATOM 931 CG ARG A 61 6.650 4.317 7.568 1.00 0.00 C ATOM 932 CD ARG A 61 5.440 4.973 8.236 1.00 0.00 C ATOM 933 NE ARG A 61 5.012 4.152 9.403 1.00 0.00 N ATOM 934 CZ ARG A 61 5.757 4.099 10.473 1.00 0.00 C ATOM 935 NH1 ARG A 61 6.064 5.197 11.110 1.00 0.00 N ATOM 936 NH2 ARG A 61 6.198 2.950 10.905 1.00 0.00 N ATOM 0 H ARG A 61 6.555 5.227 3.704 1.00 0.00 H new ATOM 0 HA ARG A 61 7.171 2.903 5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.795 5.164 5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.118 5.672 5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.539 3.233 7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.557 4.548 8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.693 5.982 8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.622 5.064 7.522 1.00 0.00 H new ATOM 0 HE ARG A 61 4.136 3.631 9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.721 6.096 10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.646 5.156 11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.961 2.092 10.406 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.780 2.909 11.741 1.00 0.00 H new ATOM 950 N MET A 62 4.012 3.863 5.278 1.00 0.00 N ATOM 951 CA MET A 62 2.642 3.373 5.593 1.00 0.00 C ATOM 952 C MET A 62 2.296 2.214 4.656 1.00 0.00 C ATOM 953 O MET A 62 1.501 1.354 4.981 1.00 0.00 O ATOM 954 CB MET A 62 1.636 4.508 5.396 1.00 0.00 C ATOM 955 CG MET A 62 2.272 5.835 5.817 1.00 0.00 C ATOM 956 SD MET A 62 0.978 7.078 6.055 1.00 0.00 S ATOM 957 CE MET A 62 1.790 8.421 5.154 1.00 0.00 C ATOM 0 H MET A 62 4.053 4.794 4.864 1.00 0.00 H new ATOM 0 HA MET A 62 2.603 3.032 6.628 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.326 4.556 4.352 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.739 4.319 5.986 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.838 5.703 6.739 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.977 6.170 5.056 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.268 9.358 5.349 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.825 8.507 5.484 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.767 8.208 4.085 1.00 0.00 H new ATOM 967 N ILE A 63 2.889 2.185 3.493 1.00 0.00 N ATOM 968 CA ILE A 63 2.597 1.085 2.530 1.00 0.00 C ATOM 969 C ILE A 63 3.359 -0.179 2.950 1.00 0.00 C ATOM 970 O ILE A 63 2.992 -1.279 2.592 1.00 0.00 O ATOM 971 CB ILE A 63 3.030 1.522 1.123 1.00 0.00 C ATOM 972 CG1 ILE A 63 1.932 2.391 0.504 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.258 0.297 0.233 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.808 3.697 1.291 1.00 0.00 C ATOM 0 H ILE A 63 3.564 2.877 3.168 1.00 0.00 H new ATOM 0 HA ILE A 63 1.529 0.867 2.526 1.00 0.00 H new ATOM 0 HB ILE A 63 3.959 2.087 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.167 2.604 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.982 1.857 0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.564 0.622 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.038 -0.328 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.334 -0.276 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.026 4.315 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.553 3.475 2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.756 4.233 1.258 1.00 0.00 H new ATOM 986 N GLU A 64 4.415 -0.032 3.702 1.00 0.00 N ATOM 987 CA GLU A 64 5.187 -1.231 4.135 1.00 0.00 C ATOM 988 C GLU A 64 4.575 -1.797 5.418 1.00 0.00 C ATOM 989 O GLU A 64 4.273 -2.970 5.508 1.00 0.00 O ATOM 990 CB GLU A 64 6.643 -0.839 4.390 1.00 0.00 C ATOM 991 CG GLU A 64 7.481 -1.154 3.148 1.00 0.00 C ATOM 992 CD GLU A 64 8.951 -1.305 3.546 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.393 -0.556 4.401 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.608 -2.168 2.988 1.00 0.00 O ATOM 0 H GLU A 64 4.776 0.862 4.034 1.00 0.00 H new ATOM 0 HA GLU A 64 5.150 -1.988 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.709 0.223 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.032 -1.382 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.125 -2.071 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.373 -0.357 2.412 1.00 0.00 H new ATOM 1001 N GLY A 65 4.384 -0.971 6.411 1.00 0.00 N ATOM 1002 CA GLY A 65 3.787 -1.462 7.684 1.00 0.00 C ATOM 1003 C GLY A 65 2.326 -1.847 7.446 1.00 0.00 C ATOM 1004 O GLY A 65 1.804 -2.756 8.061 1.00 0.00 O ATOM 0 H GLY A 65 4.616 0.022 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.346 -2.322 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.851 -0.689 8.450 1.00 0.00 H new ATOM 1008 N THR A 66 1.661 -1.164 6.553 1.00 0.00 N ATOM 1009 CA THR A 66 0.235 -1.492 6.273 1.00 0.00 C ATOM 1010 C THR A 66 0.167 -2.694 5.328 1.00 0.00 C ATOM 1011 O THR A 66 -0.704 -3.533 5.439 1.00 0.00 O ATOM 1012 CB THR A 66 -0.445 -0.289 5.615 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.270 0.857 6.435 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.938 -0.574 5.443 1.00 0.00 C ATOM 0 H THR A 66 2.044 -0.393 6.006 1.00 0.00 H new ATOM 0 HA THR A 66 -0.274 -1.732 7.207 1.00 0.00 H new ATOM 0 HB THR A 66 0.001 -0.108 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.620 1.236 6.281 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.421 0.284 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.070 -1.454 4.813 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.389 -0.755 6.419 1.00 0.00 H new ATOM 1022 N ALA A 67 1.081 -2.782 4.400 1.00 0.00 N ATOM 1023 CA ALA A 67 1.068 -3.928 3.449 1.00 0.00 C ATOM 1024 C ALA A 67 1.871 -5.089 4.042 1.00 0.00 C ATOM 1025 O ALA A 67 2.151 -6.066 3.376 1.00 0.00 O ATOM 1026 CB ALA A 67 1.695 -3.496 2.123 1.00 0.00 C ATOM 0 H ALA A 67 1.835 -2.110 4.260 1.00 0.00 H new ATOM 0 HA ALA A 67 0.040 -4.248 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.686 -4.334 1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.123 -2.669 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.723 -3.177 2.294 1.00 0.00 H new ATOM 1032 N ARG A 68 2.241 -4.990 5.290 1.00 0.00 N ATOM 1033 CA ARG A 68 3.023 -6.087 5.927 1.00 0.00 C ATOM 1034 C ARG A 68 2.216 -6.678 7.083 1.00 0.00 C ATOM 1035 O ARG A 68 2.400 -7.817 7.465 1.00 0.00 O ATOM 1036 CB ARG A 68 4.345 -5.530 6.463 1.00 0.00 C ATOM 1037 CG ARG A 68 5.069 -6.616 7.261 1.00 0.00 C ATOM 1038 CD ARG A 68 6.577 -6.370 7.206 1.00 0.00 C ATOM 1039 NE ARG A 68 6.894 -5.072 7.864 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.115 -4.610 7.844 1.00 0.00 C ATOM 1041 NH1 ARG A 68 9.014 -5.102 8.652 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.437 -3.654 7.017 1.00 0.00 N ATOM 0 H ARG A 68 2.035 -4.196 5.896 1.00 0.00 H new ATOM 0 HA ARG A 68 3.229 -6.862 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.971 -5.192 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.157 -4.663 7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.727 -6.611 8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.835 -7.599 6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.107 -7.181 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.916 -6.357 6.170 1.00 0.00 H new ATOM 0 HE ARG A 68 6.157 -4.544 8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.763 -5.848 9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.967 -4.740 8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.735 -3.267 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.391 -3.293 7.001 1.00 0.00 H new ATOM 1056 N SER A 69 1.322 -5.912 7.648 1.00 0.00 N ATOM 1057 CA SER A 69 0.503 -6.429 8.781 1.00 0.00 C ATOM 1058 C SER A 69 -0.675 -7.239 8.234 1.00 0.00 C ATOM 1059 O SER A 69 -1.546 -7.658 8.971 1.00 0.00 O ATOM 1060 CB SER A 69 -0.024 -5.254 9.602 1.00 0.00 C ATOM 1061 OG SER A 69 -0.748 -4.374 8.753 1.00 0.00 O ATOM 0 H SER A 69 1.124 -4.950 7.373 1.00 0.00 H new ATOM 0 HA SER A 69 1.119 -7.069 9.413 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.668 -5.616 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.804 -4.724 10.073 1.00 0.00 H new ATOM 0 HG SER A 69 -0.136 -3.709 8.373 1.00 0.00 H new ATOM 1067 N MET A 70 -0.710 -7.464 6.950 1.00 0.00 N ATOM 1068 CA MET A 70 -1.833 -8.247 6.362 1.00 0.00 C ATOM 1069 C MET A 70 -1.317 -9.606 5.888 1.00 0.00 C ATOM 1070 O MET A 70 -2.049 -10.574 5.832 1.00 0.00 O ATOM 1071 CB MET A 70 -2.420 -7.482 5.174 1.00 0.00 C ATOM 1072 CG MET A 70 -3.561 -6.585 5.657 1.00 0.00 C ATOM 1073 SD MET A 70 -3.136 -4.853 5.351 1.00 0.00 S ATOM 1074 CE MET A 70 -3.404 -4.867 3.562 1.00 0.00 C ATOM 0 H MET A 70 -0.010 -7.140 6.283 1.00 0.00 H new ATOM 0 HA MET A 70 -2.605 -8.396 7.117 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.646 -6.879 4.698 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.787 -8.182 4.423 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.484 -6.841 5.138 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.738 -6.745 6.721 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.061 -3.924 3.135 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.846 -5.691 3.117 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.466 -4.994 3.354 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.061 -9.687 5.548 1.00 0.00 N ATOM 1085 CA GLY A 71 0.503 -10.983 5.077 1.00 0.00 C ATOM 1086 C GLY A 71 1.191 -10.777 3.727 1.00 0.00 C ATOM 1087 O GLY A 71 1.925 -11.624 3.258 1.00 0.00 O ATOM 0 H GLY A 71 0.600 -8.911 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.216 -11.368 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.290 -11.725 4.984 1.00 0.00 H new ATOM 1091 N ILE A 72 0.962 -9.656 3.100 1.00 0.00 N ATOM 1092 CA ILE A 72 1.606 -9.398 1.782 1.00 0.00 C ATOM 1093 C ILE A 72 3.049 -8.948 2.009 1.00 0.00 C ATOM 1094 O ILE A 72 3.327 -8.132 2.865 1.00 0.00 O ATOM 1095 CB ILE A 72 0.839 -8.297 1.046 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.623 -8.715 0.882 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.460 -8.077 -0.334 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.485 -7.470 0.659 1.00 0.00 C ATOM 0 H ILE A 72 0.358 -8.909 3.443 1.00 0.00 H new ATOM 0 HA ILE A 72 1.595 -10.309 1.183 1.00 0.00 H new ATOM 0 HB ILE A 72 0.892 -7.373 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.725 -9.398 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.961 -9.251 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.914 -7.293 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.502 -7.779 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.407 -9.002 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.528 -7.766 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.391 -6.804 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.151 -6.953 -0.241 1.00 0.00 H new ATOM 1110 N VAL A 73 3.972 -9.473 1.253 1.00 0.00 N ATOM 1111 CA VAL A 73 5.394 -9.072 1.436 1.00 0.00 C ATOM 1112 C VAL A 73 5.762 -8.017 0.386 1.00 0.00 C ATOM 1113 O VAL A 73 5.076 -7.844 -0.601 1.00 0.00 O ATOM 1114 CB VAL A 73 6.294 -10.318 1.310 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.922 -10.411 -0.087 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.406 -10.243 2.359 1.00 0.00 C ATOM 0 H VAL A 73 3.804 -10.160 0.518 1.00 0.00 H new ATOM 0 HA VAL A 73 5.540 -8.639 2.426 1.00 0.00 H new ATOM 0 HB VAL A 73 5.680 -11.204 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.551 -11.299 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.134 -10.475 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.528 -9.525 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.046 -11.122 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.001 -9.344 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.965 -10.210 3.355 1.00 0.00 H new ATOM 1126 N VAL A 74 6.841 -7.315 0.591 1.00 0.00 N ATOM 1127 CA VAL A 74 7.251 -6.279 -0.396 1.00 0.00 C ATOM 1128 C VAL A 74 8.770 -6.360 -0.595 1.00 0.00 C ATOM 1129 O VAL A 74 9.529 -6.350 0.355 1.00 0.00 O ATOM 1130 CB VAL A 74 6.826 -4.889 0.124 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.011 -4.142 0.751 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.265 -4.066 -1.037 1.00 0.00 C ATOM 0 H VAL A 74 7.456 -7.414 1.399 1.00 0.00 H new ATOM 0 HA VAL A 74 6.766 -6.446 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 74 6.065 -5.028 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.679 -3.167 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.404 -4.720 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.793 -4.008 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.964 -3.083 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.030 -3.950 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.401 -4.577 -1.461 1.00 0.00 H new ATOM 1142 N GLU A 75 9.222 -6.447 -1.816 1.00 0.00 N ATOM 1143 CA GLU A 75 10.692 -6.535 -2.054 1.00 0.00 C ATOM 1144 C GLU A 75 11.098 -5.574 -3.172 1.00 0.00 C ATOM 1145 O GLU A 75 10.310 -5.239 -4.034 1.00 0.00 O ATOM 1146 CB GLU A 75 11.057 -7.966 -2.457 1.00 0.00 C ATOM 1147 CG GLU A 75 10.045 -8.482 -3.481 1.00 0.00 C ATOM 1148 CD GLU A 75 8.881 -9.157 -2.754 1.00 0.00 C ATOM 1149 OE1 GLU A 75 9.138 -9.873 -1.801 1.00 0.00 O ATOM 1150 OE2 GLU A 75 7.751 -8.945 -3.162 1.00 0.00 O ATOM 0 H GLU A 75 8.642 -6.461 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 75 11.219 -6.264 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.062 -7.991 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.063 -8.612 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.677 -7.657 -4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.525 -9.190 -4.157 1.00 0.00 H new ATOM 1157 N ASP A 76 12.326 -5.131 -3.166 1.00 0.00 N ATOM 1158 CA ASP A 76 12.789 -4.194 -4.228 1.00 0.00 C ATOM 1159 C ASP A 76 12.564 -4.828 -5.602 1.00 0.00 C ATOM 1160 O ASP A 76 12.057 -5.937 -5.646 1.00 0.00 O ATOM 1161 CB ASP A 76 14.280 -3.907 -4.039 1.00 0.00 C ATOM 1162 CG ASP A 76 14.466 -2.468 -3.553 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.758 -2.076 -2.640 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.313 -1.784 -4.101 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.904 -4.194 -6.588 1.00 0.00 O ATOM 0 H ASP A 76 13.029 -5.378 -2.470 1.00 0.00 H new ATOM 0 HA ASP A 76 12.227 -3.263 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.707 -4.604 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.812 -4.056 -4.979 1.00 0.00 H new