USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 THR OG1 : rot 170:sc= -2.32! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= -0.102 (180deg=-0.15) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -107:sc= 0 (180deg=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ -112:sc= -1.62 (180deg=-5.8!) USER MOD Single : A 48 MET CE :methyl -166:sc= -0.0249 (180deg=-0.127) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -93:sc= -0.758! USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 81:sc= 1.12 USER MOD Single : A 69 SER OG : rot 78:sc= 1.03 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -5.395 8.703 -5.686 1.00 0.00 N ATOM 110 CA THR A 7 -5.264 7.225 -5.568 1.00 0.00 C ATOM 111 C THR A 7 -5.987 6.745 -4.296 1.00 0.00 C ATOM 112 O THR A 7 -6.414 7.548 -3.488 1.00 0.00 O ATOM 113 CB THR A 7 -3.763 6.860 -5.542 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.518 5.817 -6.474 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.313 6.414 -4.146 1.00 0.00 C ATOM 0 HA THR A 7 -5.726 6.728 -6.421 1.00 0.00 H new ATOM 0 HB THR A 7 -3.193 7.750 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.552 5.693 -6.579 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.252 6.166 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.482 7.222 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.885 5.537 -3.842 1.00 0.00 H new ATOM 123 N PRO A 8 -6.098 5.449 -4.161 1.00 0.00 N ATOM 124 CA PRO A 8 -6.762 4.816 -3.005 1.00 0.00 C ATOM 125 C PRO A 8 -5.834 4.839 -1.786 1.00 0.00 C ATOM 126 O PRO A 8 -4.708 5.285 -1.879 1.00 0.00 O ATOM 127 CB PRO A 8 -7.019 3.382 -3.483 1.00 0.00 C ATOM 128 CG PRO A 8 -6.018 3.114 -4.630 1.00 0.00 C ATOM 129 CD PRO A 8 -5.567 4.489 -5.152 1.00 0.00 C ATOM 0 HA PRO A 8 -7.677 5.322 -2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.876 2.671 -2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.046 3.267 -3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.165 2.537 -4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.486 2.533 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.481 4.551 -5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.963 4.686 -6.148 1.00 0.00 H new ATOM 137 N PRO A 9 -6.327 4.355 -0.675 1.00 0.00 N ATOM 138 CA PRO A 9 -5.547 4.307 0.573 1.00 0.00 C ATOM 139 C PRO A 9 -4.480 3.212 0.488 1.00 0.00 C ATOM 140 O PRO A 9 -4.679 2.181 -0.125 1.00 0.00 O ATOM 141 CB PRO A 9 -6.597 4.007 1.648 1.00 0.00 C ATOM 142 CG PRO A 9 -7.801 3.369 0.917 1.00 0.00 C ATOM 143 CD PRO A 9 -7.696 3.804 -0.558 1.00 0.00 C ATOM 0 HA PRO A 9 -5.004 5.228 0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.197 3.329 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.895 4.919 2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.777 2.283 1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.742 3.703 1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.846 2.962 -1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.449 4.551 -0.808 1.00 0.00 H new ATOM 151 N ALA A 10 -3.341 3.442 1.082 1.00 0.00 N ATOM 152 CA ALA A 10 -2.237 2.440 1.028 1.00 0.00 C ATOM 153 C ALA A 10 -2.795 1.021 1.165 1.00 0.00 C ATOM 154 O ALA A 10 -2.727 0.231 0.246 1.00 0.00 O ATOM 155 CB ALA A 10 -1.255 2.709 2.170 1.00 0.00 C ATOM 0 H ALA A 10 -3.126 4.289 1.608 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.728 2.527 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.447 1.979 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.842 3.713 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.775 2.627 3.124 1.00 0.00 H new ATOM 161 N ALA A 11 -3.329 0.689 2.305 1.00 0.00 N ATOM 162 CA ALA A 11 -3.874 -0.686 2.501 1.00 0.00 C ATOM 163 C ALA A 11 -4.655 -1.124 1.260 1.00 0.00 C ATOM 164 O ALA A 11 -4.294 -2.075 0.596 1.00 0.00 O ATOM 165 CB ALA A 11 -4.797 -0.701 3.719 1.00 0.00 C ATOM 0 H ALA A 11 -3.413 1.308 3.111 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.047 -1.377 2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.195 -1.706 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.235 -0.404 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.620 -0.004 3.560 1.00 0.00 H new ATOM 171 N VAL A 12 -5.724 -0.446 0.940 1.00 0.00 N ATOM 172 CA VAL A 12 -6.519 -0.840 -0.258 1.00 0.00 C ATOM 173 C VAL A 12 -5.609 -0.855 -1.488 1.00 0.00 C ATOM 174 O VAL A 12 -5.427 -1.873 -2.122 1.00 0.00 O ATOM 175 CB VAL A 12 -7.655 0.163 -0.476 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.269 -0.046 -1.861 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.730 -0.051 0.593 1.00 0.00 C ATOM 0 H VAL A 12 -6.080 0.360 1.454 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.940 -1.833 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.261 1.177 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.077 0.670 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.505 0.103 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.663 -1.060 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.541 0.661 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.120 -1.066 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.295 0.099 1.581 1.00 0.00 H new ATOM 187 N LEU A 13 -5.035 0.265 -1.827 1.00 0.00 N ATOM 188 CA LEU A 13 -4.135 0.312 -3.013 1.00 0.00 C ATOM 189 C LEU A 13 -3.208 -0.899 -2.993 1.00 0.00 C ATOM 190 O LEU A 13 -3.010 -1.565 -3.989 1.00 0.00 O ATOM 191 CB LEU A 13 -3.298 1.587 -2.961 1.00 0.00 C ATOM 192 CG LEU A 13 -2.684 1.857 -4.335 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.266 3.326 -4.423 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.455 0.966 -4.522 1.00 0.00 C ATOM 0 H LEU A 13 -5.150 1.150 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.732 0.301 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.920 2.429 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.511 1.487 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.415 1.639 -5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.828 3.522 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.140 3.962 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.532 3.543 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.014 1.155 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.723 1.188 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.751 -0.081 -4.454 1.00 0.00 H new ATOM 206 N LEU A 14 -2.645 -1.183 -1.859 1.00 0.00 N ATOM 207 CA LEU A 14 -1.727 -2.349 -1.749 1.00 0.00 C ATOM 208 C LEU A 14 -2.532 -3.636 -1.921 1.00 0.00 C ATOM 209 O LEU A 14 -2.212 -4.471 -2.740 1.00 0.00 O ATOM 210 CB LEU A 14 -1.049 -2.338 -0.377 1.00 0.00 C ATOM 211 CG LEU A 14 0.125 -1.359 -0.400 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.133 -0.538 0.890 1.00 0.00 C ATOM 213 CD2 LEU A 14 1.435 -2.138 -0.517 1.00 0.00 C ATOM 0 H LEU A 14 -2.780 -0.656 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.962 -2.293 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.764 -2.047 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.698 -3.338 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 14 0.022 -0.690 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.970 0.159 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.801 0.018 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.235 -1.206 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.273 -1.441 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.537 -2.808 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.430 -2.721 -1.438 1.00 0.00 H new ATOM 225 N LYS A 15 -3.583 -3.799 -1.164 1.00 0.00 N ATOM 226 CA LYS A 15 -4.412 -5.030 -1.301 1.00 0.00 C ATOM 227 C LYS A 15 -4.880 -5.152 -2.752 1.00 0.00 C ATOM 228 O LYS A 15 -4.950 -6.228 -3.309 1.00 0.00 O ATOM 229 CB LYS A 15 -5.628 -4.929 -0.379 1.00 0.00 C ATOM 230 CG LYS A 15 -5.768 -6.223 0.425 1.00 0.00 C ATOM 231 CD LYS A 15 -6.993 -6.995 -0.064 1.00 0.00 C ATOM 232 CE LYS A 15 -7.332 -8.103 0.934 1.00 0.00 C ATOM 233 NZ LYS A 15 -8.182 -7.545 2.025 1.00 0.00 N ATOM 0 H LYS A 15 -3.903 -3.135 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.824 -5.906 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.517 -4.080 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.529 -4.754 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.872 -6.833 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.868 -5.996 1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.841 -6.319 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.797 -7.424 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.856 -8.914 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.417 -8.525 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.413 -8.298 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.666 -6.785 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.060 -7.163 1.620 1.00 0.00 H new ATOM 247 N LYS A 16 -5.197 -4.055 -3.372 1.00 0.00 N ATOM 248 CA LYS A 16 -5.647 -4.111 -4.787 1.00 0.00 C ATOM 249 C LYS A 16 -4.454 -4.415 -5.683 1.00 0.00 C ATOM 250 O LYS A 16 -4.400 -5.425 -6.357 1.00 0.00 O ATOM 251 CB LYS A 16 -6.257 -2.766 -5.186 1.00 0.00 C ATOM 252 CG LYS A 16 -7.752 -2.762 -4.863 1.00 0.00 C ATOM 253 CD LYS A 16 -8.329 -1.371 -5.133 1.00 0.00 C ATOM 254 CE LYS A 16 -9.840 -1.473 -5.342 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.478 -2.014 -4.109 1.00 0.00 N ATOM 0 H LYS A 16 -5.164 -3.122 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.397 -4.894 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.758 -1.957 -4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.105 -2.588 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.268 -3.506 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.910 -3.037 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.112 -0.708 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.858 -0.936 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.252 -0.492 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.057 -2.121 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.513 -1.973 -4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.183 -3.001 -3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.185 -1.446 -3.289 1.00 0.00 H new ATOM 269 N ALA A 17 -3.505 -3.534 -5.694 1.00 0.00 N ATOM 270 CA ALA A 17 -2.297 -3.730 -6.546 1.00 0.00 C ATOM 271 C ALA A 17 -1.490 -4.947 -6.074 1.00 0.00 C ATOM 272 O ALA A 17 -1.440 -5.964 -6.734 1.00 0.00 O ATOM 273 CB ALA A 17 -1.418 -2.480 -6.471 1.00 0.00 C ATOM 0 H ALA A 17 -3.509 -2.674 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.618 -3.902 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.534 -2.619 -7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.981 -1.618 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.113 -2.311 -5.438 1.00 0.00 H new ATOM 279 N ALA A 18 -0.836 -4.837 -4.947 1.00 0.00 N ATOM 280 CA ALA A 18 -0.003 -5.971 -4.444 1.00 0.00 C ATOM 281 C ALA A 18 -0.884 -7.070 -3.846 1.00 0.00 C ATOM 282 O ALA A 18 -0.463 -8.200 -3.712 1.00 0.00 O ATOM 283 CB ALA A 18 0.954 -5.456 -3.368 1.00 0.00 C ATOM 0 H ALA A 18 -0.843 -4.009 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 18 0.557 -6.388 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.564 -6.281 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.601 -4.689 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.381 -5.031 -2.544 1.00 0.00 H new ATOM 289 N GLY A 19 -2.093 -6.758 -3.475 1.00 0.00 N ATOM 290 CA GLY A 19 -2.972 -7.804 -2.879 1.00 0.00 C ATOM 291 C GLY A 19 -3.736 -8.531 -3.987 1.00 0.00 C ATOM 292 O GLY A 19 -4.797 -9.076 -3.759 1.00 0.00 O ATOM 0 H GLY A 19 -2.510 -5.831 -3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.373 -8.515 -2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.673 -7.348 -2.180 1.00 0.00 H new ATOM 447 N LYS A 31 -0.660 -12.928 5.877 1.00 0.00 N ATOM 448 CA LYS A 31 -0.209 -12.174 4.673 1.00 0.00 C ATOM 449 C LYS A 31 -0.625 -12.942 3.418 1.00 0.00 C ATOM 450 O LYS A 31 -0.437 -14.138 3.322 1.00 0.00 O ATOM 451 CB LYS A 31 1.313 -12.026 4.708 1.00 0.00 C ATOM 452 CG LYS A 31 1.771 -11.827 6.155 1.00 0.00 C ATOM 453 CD LYS A 31 2.475 -13.092 6.650 1.00 0.00 C ATOM 454 CE LYS A 31 3.698 -13.373 5.774 1.00 0.00 C ATOM 455 NZ LYS A 31 4.934 -13.006 6.519 1.00 0.00 N ATOM 0 HA LYS A 31 -0.666 -11.184 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.785 -12.912 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.621 -11.177 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.447 -10.974 6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.914 -11.603 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.780 -12.968 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.789 -13.939 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.726 -14.427 5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.635 -12.802 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.767 -13.196 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.906 -11.995 6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.994 -13.570 7.391 1.00 0.00 H new ATOM 469 N VAL A 32 -1.195 -12.269 2.455 1.00 0.00 N ATOM 470 CA VAL A 32 -1.624 -12.978 1.215 1.00 0.00 C ATOM 471 C VAL A 32 -0.857 -12.435 0.012 1.00 0.00 C ATOM 472 O VAL A 32 -0.925 -12.973 -1.075 1.00 0.00 O ATOM 473 CB VAL A 32 -3.123 -12.771 1.000 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.899 -13.393 2.163 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.427 -11.273 0.928 1.00 0.00 C ATOM 0 H VAL A 32 -1.381 -11.266 2.472 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.414 -14.042 1.322 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.423 -13.248 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.968 -13.244 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.685 -14.460 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.598 -12.918 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.496 -11.126 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.125 -10.795 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.877 -10.830 0.098 1.00 0.00 H new ATOM 485 N ALA A 33 -0.129 -11.375 0.196 1.00 0.00 N ATOM 486 CA ALA A 33 0.640 -10.800 -0.945 1.00 0.00 C ATOM 487 C ALA A 33 1.995 -10.286 -0.454 1.00 0.00 C ATOM 488 O ALA A 33 2.096 -9.655 0.577 1.00 0.00 O ATOM 489 CB ALA A 33 -0.151 -9.644 -1.560 1.00 0.00 C ATOM 0 H ALA A 33 -0.031 -10.880 1.082 1.00 0.00 H new ATOM 0 HA ALA A 33 0.801 -11.574 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.410 -9.223 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.113 -10.011 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.314 -8.873 -0.807 1.00 0.00 H new ATOM 495 N THR A 34 3.040 -10.547 -1.190 1.00 0.00 N ATOM 496 CA THR A 34 4.386 -10.065 -0.772 1.00 0.00 C ATOM 497 C THR A 34 5.105 -9.484 -1.990 1.00 0.00 C ATOM 498 O THR A 34 5.144 -10.086 -3.045 1.00 0.00 O ATOM 499 CB THR A 34 5.201 -11.230 -0.203 1.00 0.00 C ATOM 500 OG1 THR A 34 4.576 -11.709 0.981 1.00 0.00 O ATOM 501 CG2 THR A 34 6.615 -10.751 0.124 1.00 0.00 C ATOM 0 H THR A 34 3.020 -11.074 -2.063 1.00 0.00 H new ATOM 0 HA THR A 34 4.279 -9.299 -0.004 1.00 0.00 H new ATOM 0 HB THR A 34 5.252 -12.033 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.095 -12.456 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.195 -11.580 0.529 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.093 -10.382 -0.783 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.566 -9.948 0.860 1.00 0.00 H new ATOM 509 N ILE A 35 5.669 -8.315 -1.859 1.00 0.00 N ATOM 510 CA ILE A 35 6.377 -7.698 -3.014 1.00 0.00 C ATOM 511 C ILE A 35 7.614 -6.953 -2.513 1.00 0.00 C ATOM 512 O ILE A 35 7.728 -6.634 -1.349 1.00 0.00 O ATOM 513 CB ILE A 35 5.445 -6.712 -3.724 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.848 -5.734 -2.696 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.328 -7.483 -4.435 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.604 -6.336 -2.024 1.00 0.00 C ATOM 0 H ILE A 35 5.670 -7.761 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 35 6.677 -8.480 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 35 6.009 -6.144 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.595 -5.495 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.583 -4.799 -3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.665 -6.780 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.764 -8.162 -5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.759 -8.057 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.201 -5.626 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.850 -6.552 -2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.878 -7.258 -1.512 1.00 0.00 H new ATOM 528 N LYS A 36 8.543 -6.675 -3.383 1.00 0.00 N ATOM 529 CA LYS A 36 9.767 -5.952 -2.946 1.00 0.00 C ATOM 530 C LYS A 36 9.500 -4.445 -2.951 1.00 0.00 C ATOM 531 O LYS A 36 8.367 -4.007 -2.906 1.00 0.00 O ATOM 532 CB LYS A 36 10.913 -6.273 -3.907 1.00 0.00 C ATOM 533 CG LYS A 36 12.210 -6.464 -3.118 1.00 0.00 C ATOM 534 CD LYS A 36 13.377 -6.633 -4.091 1.00 0.00 C ATOM 535 CE LYS A 36 14.658 -6.924 -3.311 1.00 0.00 C ATOM 536 NZ LYS A 36 14.828 -8.399 -3.171 1.00 0.00 N ATOM 0 H LYS A 36 8.508 -6.916 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 36 10.037 -6.266 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.684 -7.176 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.031 -5.466 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.384 -5.605 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.131 -7.339 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.169 -7.447 -4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.500 -5.729 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.517 -6.495 -3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.612 -6.457 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.700 -8.599 -2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.013 -8.795 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.890 -8.832 -4.114 1.00 0.00 H new ATOM 550 N ARG A 37 10.532 -3.649 -3.006 1.00 0.00 N ATOM 551 CA ARG A 37 10.333 -2.172 -3.013 1.00 0.00 C ATOM 552 C ARG A 37 9.812 -1.738 -4.383 1.00 0.00 C ATOM 553 O ARG A 37 9.261 -0.667 -4.543 1.00 0.00 O ATOM 554 CB ARG A 37 11.665 -1.472 -2.721 1.00 0.00 C ATOM 555 CG ARG A 37 12.763 -2.074 -3.600 1.00 0.00 C ATOM 556 CD ARG A 37 13.833 -1.013 -3.884 1.00 0.00 C ATOM 557 NE ARG A 37 14.965 -1.180 -2.928 1.00 0.00 N ATOM 558 CZ ARG A 37 16.156 -0.747 -3.243 1.00 0.00 C ATOM 559 NH1 ARG A 37 16.782 -1.247 -4.273 1.00 0.00 N ATOM 560 NH2 ARG A 37 16.719 0.187 -2.527 1.00 0.00 N ATOM 0 H ARG A 37 11.504 -3.957 -3.046 1.00 0.00 H new ATOM 0 HA ARG A 37 9.609 -1.898 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.576 -0.403 -2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.924 -1.586 -1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.212 -2.933 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.337 -2.435 -4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.192 -1.108 -4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.405 -0.015 -3.787 1.00 0.00 H new ATOM 0 HE ARG A 37 14.809 -1.633 -2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.341 -1.977 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.712 -0.908 -4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.229 0.578 -1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.649 0.526 -2.772 1.00 0.00 H new ATOM 574 N ASP A 38 9.977 -2.570 -5.369 1.00 0.00 N ATOM 575 CA ASP A 38 9.492 -2.223 -6.737 1.00 0.00 C ATOM 576 C ASP A 38 7.982 -1.976 -6.695 1.00 0.00 C ATOM 577 O ASP A 38 7.463 -1.115 -7.379 1.00 0.00 O ATOM 578 CB ASP A 38 9.798 -3.380 -7.692 1.00 0.00 C ATOM 579 CG ASP A 38 8.856 -4.551 -7.398 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.186 -5.347 -6.534 1.00 0.00 O ATOM 581 OD2 ASP A 38 7.824 -4.632 -8.043 1.00 0.00 O ATOM 0 H ASP A 38 10.429 -3.481 -5.289 1.00 0.00 H new ATOM 0 HA ASP A 38 9.995 -1.322 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.678 -3.054 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.835 -3.696 -7.576 1.00 0.00 H new ATOM 586 N LYS A 39 7.273 -2.724 -5.894 1.00 0.00 N ATOM 587 CA LYS A 39 5.798 -2.541 -5.800 1.00 0.00 C ATOM 588 C LYS A 39 5.488 -1.387 -4.855 1.00 0.00 C ATOM 589 O LYS A 39 4.777 -0.465 -5.198 1.00 0.00 O ATOM 590 CB LYS A 39 5.178 -3.804 -5.230 1.00 0.00 C ATOM 591 CG LYS A 39 4.742 -4.728 -6.370 1.00 0.00 C ATOM 592 CD LYS A 39 3.303 -4.399 -6.773 1.00 0.00 C ATOM 593 CE LYS A 39 2.847 -5.365 -7.866 1.00 0.00 C ATOM 594 NZ LYS A 39 1.366 -5.523 -7.804 1.00 0.00 N ATOM 0 H LYS A 39 7.655 -3.458 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 39 5.396 -2.331 -6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.896 -4.316 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.320 -3.550 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.407 -4.607 -7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.814 -5.769 -6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.645 -4.475 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.240 -3.372 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.142 -4.988 -8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.332 -6.332 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.133 -6.460 -7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.964 -4.786 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.967 -5.433 -8.760 1.00 0.00 H new ATOM 608 N VAL A 40 6.030 -1.422 -3.669 1.00 0.00 N ATOM 609 CA VAL A 40 5.770 -0.311 -2.722 1.00 0.00 C ATOM 610 C VAL A 40 6.362 0.951 -3.331 1.00 0.00 C ATOM 611 O VAL A 40 6.042 2.057 -2.944 1.00 0.00 O ATOM 612 CB VAL A 40 6.446 -0.602 -1.381 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.061 0.483 -0.371 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.987 -1.967 -0.863 1.00 0.00 C ATOM 0 H VAL A 40 6.635 -2.165 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 40 4.700 -0.194 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 40 7.528 -0.609 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.542 0.277 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.388 1.455 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.979 0.490 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.469 -2.174 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.905 -1.961 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.260 -2.740 -1.582 1.00 0.00 H new ATOM 624 N ARG A 41 7.209 0.787 -4.312 1.00 0.00 N ATOM 625 CA ARG A 41 7.804 1.974 -4.982 1.00 0.00 C ATOM 626 C ARG A 41 6.734 2.615 -5.863 1.00 0.00 C ATOM 627 O ARG A 41 6.370 3.762 -5.688 1.00 0.00 O ATOM 628 CB ARG A 41 8.991 1.544 -5.848 1.00 0.00 C ATOM 629 CG ARG A 41 9.438 2.720 -6.718 1.00 0.00 C ATOM 630 CD ARG A 41 10.860 2.472 -7.223 1.00 0.00 C ATOM 631 NE ARG A 41 11.496 3.773 -7.572 1.00 0.00 N ATOM 632 CZ ARG A 41 10.981 4.519 -8.511 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.165 4.209 -9.765 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.283 5.576 -8.197 1.00 0.00 N ATOM 0 H ARG A 41 7.512 -0.116 -4.676 1.00 0.00 H new ATOM 0 HA ARG A 41 8.155 2.686 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.815 1.211 -5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.710 0.699 -6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.758 2.841 -7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.401 3.645 -6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.446 1.962 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.839 1.819 -8.096 1.00 0.00 H new ATOM 0 HE ARG A 41 12.333 4.081 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.711 3.384 -10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.762 4.792 -10.499 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.140 5.820 -7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.881 6.158 -8.932 1.00 0.00 H new ATOM 648 N GLU A 42 6.214 1.869 -6.800 1.00 0.00 N ATOM 649 CA GLU A 42 5.151 2.406 -7.690 1.00 0.00 C ATOM 650 C GLU A 42 3.932 2.751 -6.837 1.00 0.00 C ATOM 651 O GLU A 42 3.259 3.739 -7.052 1.00 0.00 O ATOM 652 CB GLU A 42 4.772 1.344 -8.727 1.00 0.00 C ATOM 653 CG GLU A 42 6.003 0.981 -9.560 1.00 0.00 C ATOM 654 CD GLU A 42 5.865 1.566 -10.968 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.765 1.966 -11.316 1.00 0.00 O ATOM 656 OE2 GLU A 42 6.859 1.603 -11.674 1.00 0.00 O ATOM 0 H GLU A 42 6.484 0.903 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 42 5.507 3.297 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.383 0.456 -8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.980 1.719 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.904 1.367 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.110 -0.102 -9.615 1.00 0.00 H new ATOM 663 N ILE A 43 3.653 1.927 -5.868 1.00 0.00 N ATOM 664 CA ILE A 43 2.489 2.167 -4.977 1.00 0.00 C ATOM 665 C ILE A 43 2.704 3.459 -4.183 1.00 0.00 C ATOM 666 O ILE A 43 1.848 4.320 -4.139 1.00 0.00 O ATOM 667 CB ILE A 43 2.362 0.974 -4.025 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.701 -0.192 -4.766 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.508 1.351 -2.810 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.026 -1.505 -4.052 1.00 0.00 C ATOM 0 H ILE A 43 4.190 1.087 -5.654 1.00 0.00 H new ATOM 0 HA ILE A 43 1.576 2.272 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 43 3.356 0.685 -3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.622 -0.046 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.056 -0.229 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.427 0.493 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.976 2.181 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.513 1.648 -3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.555 -2.333 -4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.106 -1.653 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.649 -1.466 -3.030 1.00 0.00 H new ATOM 682 N ALA A 44 3.839 3.604 -3.556 1.00 0.00 N ATOM 683 CA ALA A 44 4.099 4.844 -2.771 1.00 0.00 C ATOM 684 C ALA A 44 4.072 6.053 -3.708 1.00 0.00 C ATOM 685 O ALA A 44 3.443 7.055 -3.428 1.00 0.00 O ATOM 686 CB ALA A 44 5.470 4.748 -2.098 1.00 0.00 C ATOM 0 H ALA A 44 4.596 2.920 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 44 3.330 4.958 -2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.658 5.656 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.488 3.887 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.242 4.633 -2.859 1.00 0.00 H new ATOM 692 N GLU A 45 4.749 5.969 -4.822 1.00 0.00 N ATOM 693 CA GLU A 45 4.757 7.115 -5.772 1.00 0.00 C ATOM 694 C GLU A 45 3.331 7.411 -6.229 1.00 0.00 C ATOM 695 O GLU A 45 2.967 8.545 -6.472 1.00 0.00 O ATOM 696 CB GLU A 45 5.623 6.771 -6.986 1.00 0.00 C ATOM 697 CG GLU A 45 5.689 7.981 -7.921 1.00 0.00 C ATOM 698 CD GLU A 45 5.714 7.506 -9.374 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.789 6.305 -9.582 1.00 0.00 O ATOM 700 OE2 GLU A 45 5.660 8.349 -10.254 1.00 0.00 O ATOM 0 H GLU A 45 5.295 5.158 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 45 5.167 7.993 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.626 6.491 -6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.206 5.913 -7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.829 8.629 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.579 8.572 -7.706 1.00 0.00 H new ATOM 707 N LEU A 46 2.520 6.400 -6.342 1.00 0.00 N ATOM 708 CA LEU A 46 1.112 6.621 -6.778 1.00 0.00 C ATOM 709 C LEU A 46 0.390 7.454 -5.719 1.00 0.00 C ATOM 710 O LEU A 46 -0.125 8.518 -5.995 1.00 0.00 O ATOM 711 CB LEU A 46 0.407 5.273 -6.934 1.00 0.00 C ATOM 712 CG LEU A 46 -0.337 5.238 -8.270 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.669 5.330 -9.419 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.121 3.929 -8.381 1.00 0.00 C ATOM 0 H LEU A 46 2.769 5.429 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 46 1.100 7.145 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.135 4.463 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.292 5.119 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.026 6.081 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.138 5.305 -10.371 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.228 6.263 -9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.359 4.488 -9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.652 3.902 -9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.432 3.086 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.839 3.864 -7.563 1.00 0.00 H new ATOM 726 N LYS A 47 0.354 6.976 -4.506 1.00 0.00 N ATOM 727 CA LYS A 47 -0.320 7.737 -3.417 1.00 0.00 C ATOM 728 C LYS A 47 0.611 8.850 -2.913 1.00 0.00 C ATOM 729 O LYS A 47 0.336 9.500 -1.928 1.00 0.00 O ATOM 730 CB LYS A 47 -0.655 6.786 -2.265 1.00 0.00 C ATOM 731 CG LYS A 47 -1.141 7.590 -1.058 1.00 0.00 C ATOM 732 CD LYS A 47 -2.316 6.867 -0.400 1.00 0.00 C ATOM 733 CE LYS A 47 -3.457 7.856 -0.165 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.921 7.755 1.248 1.00 0.00 N ATOM 0 H LYS A 47 0.764 6.087 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.238 8.183 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.424 6.079 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.225 6.202 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.330 7.715 -0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.445 8.589 -1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.655 6.049 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.002 6.427 0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.122 8.871 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.282 7.644 -0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.881 7.356 1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.277 7.137 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.929 8.701 1.679 1.00 0.00 H new ATOM 748 N MET A 48 1.719 9.067 -3.570 1.00 0.00 N ATOM 749 CA MET A 48 2.667 10.125 -3.107 1.00 0.00 C ATOM 750 C MET A 48 2.054 11.515 -3.311 1.00 0.00 C ATOM 751 O MET A 48 1.947 12.281 -2.374 1.00 0.00 O ATOM 752 CB MET A 48 3.972 10.020 -3.898 1.00 0.00 C ATOM 753 CG MET A 48 5.119 9.669 -2.949 1.00 0.00 C ATOM 754 SD MET A 48 5.807 11.188 -2.244 1.00 0.00 S ATOM 755 CE MET A 48 6.858 11.631 -3.649 1.00 0.00 C ATOM 0 H MET A 48 2.009 8.559 -4.406 1.00 0.00 H new ATOM 0 HA MET A 48 2.867 9.981 -2.045 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.880 9.258 -4.672 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.180 10.963 -4.403 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.760 9.016 -2.153 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.894 9.121 -3.485 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.566 12.402 -3.345 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.404 10.750 -3.987 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.238 12.008 -4.462 1.00 0.00 H new ATOM 765 N PRO A 49 1.663 11.803 -4.525 1.00 0.00 N ATOM 766 CA PRO A 49 1.052 13.098 -4.866 1.00 0.00 C ATOM 767 C PRO A 49 -0.371 13.162 -4.308 1.00 0.00 C ATOM 768 O PRO A 49 -1.335 13.288 -5.037 1.00 0.00 O ATOM 769 CB PRO A 49 1.068 13.116 -6.396 1.00 0.00 C ATOM 770 CG PRO A 49 1.173 11.641 -6.847 1.00 0.00 C ATOM 771 CD PRO A 49 1.783 10.869 -5.663 1.00 0.00 C ATOM 0 HA PRO A 49 1.576 13.957 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.163 13.579 -6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.911 13.697 -6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.192 11.243 -7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.799 11.550 -7.735 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.246 9.939 -5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.823 10.604 -5.853 1.00 0.00 H new ATOM 779 N ASP A 50 -0.497 13.072 -3.012 1.00 0.00 N ATOM 780 CA ASP A 50 -1.841 13.119 -2.372 1.00 0.00 C ATOM 781 C ASP A 50 -1.700 12.723 -0.899 1.00 0.00 C ATOM 782 O ASP A 50 -2.459 13.150 -0.053 1.00 0.00 O ATOM 783 CB ASP A 50 -2.783 12.143 -3.081 1.00 0.00 C ATOM 784 CG ASP A 50 -4.071 11.999 -2.272 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.628 13.018 -1.895 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.482 10.874 -2.041 1.00 0.00 O ATOM 0 H ASP A 50 0.283 12.967 -2.363 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.252 14.126 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.010 12.504 -4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.301 11.172 -3.193 1.00 0.00 H new ATOM 791 N LEU A 51 -0.725 11.909 -0.589 1.00 0.00 N ATOM 792 CA LEU A 51 -0.519 11.483 0.824 1.00 0.00 C ATOM 793 C LEU A 51 0.321 12.537 1.549 1.00 0.00 C ATOM 794 O LEU A 51 1.036 13.303 0.934 1.00 0.00 O ATOM 795 CB LEU A 51 0.217 10.140 0.849 1.00 0.00 C ATOM 796 CG LEU A 51 0.004 9.460 2.203 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.399 8.852 2.252 1.00 0.00 C ATOM 798 CD2 LEU A 51 1.045 8.353 2.382 1.00 0.00 C ATOM 0 H LEU A 51 -0.060 11.520 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.484 11.377 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.149 9.499 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.281 10.294 0.672 1.00 0.00 H new ATOM 0 HG LEU A 51 0.110 10.194 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.552 8.367 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.141 9.639 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.505 8.116 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.896 7.866 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.936 7.619 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.045 8.785 2.344 1.00 0.00 H new ATOM 810 N ASN A 52 0.241 12.585 2.850 1.00 0.00 N ATOM 811 CA ASN A 52 1.038 13.591 3.603 1.00 0.00 C ATOM 812 C ASN A 52 2.453 13.058 3.833 1.00 0.00 C ATOM 813 O ASN A 52 3.225 13.624 4.581 1.00 0.00 O ATOM 814 CB ASN A 52 0.370 13.865 4.951 1.00 0.00 C ATOM 815 CG ASN A 52 -0.112 15.317 4.994 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.985 15.702 4.242 1.00 0.00 O ATOM 817 ND2 ASN A 52 0.426 16.144 5.848 1.00 0.00 N ATOM 0 H ASN A 52 -0.340 11.973 3.422 1.00 0.00 H new ATOM 0 HA ASN A 52 1.090 14.516 3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.471 13.187 5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.074 13.680 5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.114 17.114 5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.159 15.820 6.479 1.00 0.00 H new ATOM 824 N ALA A 53 2.801 11.974 3.196 1.00 0.00 N ATOM 825 CA ALA A 53 4.169 11.411 3.381 1.00 0.00 C ATOM 826 C ALA A 53 5.196 12.542 3.322 1.00 0.00 C ATOM 827 O ALA A 53 4.891 13.650 2.925 1.00 0.00 O ATOM 828 CB ALA A 53 4.462 10.400 2.271 1.00 0.00 C ATOM 0 H ALA A 53 2.199 11.455 2.557 1.00 0.00 H new ATOM 0 HA ALA A 53 4.228 10.914 4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.462 9.989 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.730 9.593 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.403 10.896 1.302 1.00 0.00 H new ATOM 834 N ALA A 54 6.411 12.275 3.713 1.00 0.00 N ATOM 835 CA ALA A 54 7.458 13.336 3.678 1.00 0.00 C ATOM 836 C ALA A 54 8.627 12.873 2.806 1.00 0.00 C ATOM 837 O ALA A 54 9.605 13.575 2.641 1.00 0.00 O ATOM 838 CB ALA A 54 7.962 13.609 5.098 1.00 0.00 C ATOM 0 H ALA A 54 6.725 11.367 4.056 1.00 0.00 H new ATOM 0 HA ALA A 54 7.031 14.249 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.727 14.385 5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.132 13.941 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.386 12.696 5.515 1.00 0.00 H new ATOM 844 N SER A 55 8.535 11.697 2.247 1.00 0.00 N ATOM 845 CA SER A 55 9.640 11.191 1.390 1.00 0.00 C ATOM 846 C SER A 55 9.484 9.680 1.206 1.00 0.00 C ATOM 847 O SER A 55 8.773 9.026 1.941 1.00 0.00 O ATOM 848 CB SER A 55 10.981 11.485 2.060 1.00 0.00 C ATOM 849 OG SER A 55 10.802 11.520 3.470 1.00 0.00 O ATOM 0 H SER A 55 7.740 11.065 2.348 1.00 0.00 H new ATOM 0 HA SER A 55 9.604 11.685 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.710 10.720 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.376 12.438 1.708 1.00 0.00 H new ATOM 0 HG SER A 55 10.638 12.443 3.756 1.00 0.00 H new ATOM 855 N ILE A 56 10.145 9.119 0.232 1.00 0.00 N ATOM 856 CA ILE A 56 10.032 7.652 0.009 1.00 0.00 C ATOM 857 C ILE A 56 10.188 6.922 1.345 1.00 0.00 C ATOM 858 O ILE A 56 9.292 6.239 1.799 1.00 0.00 O ATOM 859 CB ILE A 56 11.130 7.194 -0.953 1.00 0.00 C ATOM 860 CG1 ILE A 56 11.117 8.082 -2.200 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.877 5.743 -1.363 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.687 8.193 -2.730 1.00 0.00 C ATOM 0 H ILE A 56 10.757 9.612 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 56 9.056 7.424 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 56 12.099 7.270 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.505 9.072 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.769 7.662 -2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.659 5.417 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.883 5.108 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.908 5.668 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.676 8.825 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.316 7.201 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.048 8.633 -1.964 1.00 0.00 H new ATOM 874 N GLU A 57 11.321 7.063 1.978 1.00 0.00 N ATOM 875 CA GLU A 57 11.536 6.380 3.285 1.00 0.00 C ATOM 876 C GLU A 57 10.391 6.727 4.238 1.00 0.00 C ATOM 877 O GLU A 57 9.853 5.872 4.915 1.00 0.00 O ATOM 878 CB GLU A 57 12.861 6.845 3.892 1.00 0.00 C ATOM 879 CG GLU A 57 12.969 6.337 5.329 1.00 0.00 C ATOM 880 CD GLU A 57 14.430 6.387 5.780 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.883 7.462 6.133 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.071 5.349 5.762 1.00 0.00 O ATOM 0 H GLU A 57 12.107 7.622 1.646 1.00 0.00 H new ATOM 0 HA GLU A 57 11.565 5.302 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.696 6.471 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.919 7.933 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.353 6.947 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.592 5.316 5.394 1.00 0.00 H new ATOM 889 N ALA A 58 10.013 7.974 4.297 1.00 0.00 N ATOM 890 CA ALA A 58 8.904 8.371 5.208 1.00 0.00 C ATOM 891 C ALA A 58 7.602 7.727 4.729 1.00 0.00 C ATOM 892 O ALA A 58 6.884 7.116 5.494 1.00 0.00 O ATOM 893 CB ALA A 58 8.756 9.894 5.199 1.00 0.00 C ATOM 0 H ALA A 58 10.424 8.734 3.755 1.00 0.00 H new ATOM 0 HA ALA A 58 9.125 8.036 6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.944 10.185 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.685 10.352 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.533 10.232 4.187 1.00 0.00 H new ATOM 899 N ALA A 59 7.294 7.855 3.466 1.00 0.00 N ATOM 900 CA ALA A 59 6.042 7.244 2.945 1.00 0.00 C ATOM 901 C ALA A 59 6.096 5.734 3.168 1.00 0.00 C ATOM 902 O ALA A 59 5.108 5.102 3.484 1.00 0.00 O ATOM 903 CB ALA A 59 5.913 7.538 1.449 1.00 0.00 C ATOM 0 H ALA A 59 7.855 8.355 2.776 1.00 0.00 H new ATOM 0 HA ALA A 59 5.182 7.663 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.995 7.090 1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.883 8.616 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.769 7.118 0.920 1.00 0.00 H new ATOM 909 N MET A 60 7.255 5.161 3.014 1.00 0.00 N ATOM 910 CA MET A 60 7.405 3.695 3.220 1.00 0.00 C ATOM 911 C MET A 60 6.989 3.344 4.646 1.00 0.00 C ATOM 912 O MET A 60 6.173 2.477 4.871 1.00 0.00 O ATOM 913 CB MET A 60 8.868 3.298 3.007 1.00 0.00 C ATOM 914 CG MET A 60 9.064 2.807 1.571 1.00 0.00 C ATOM 915 SD MET A 60 10.767 3.129 1.052 1.00 0.00 S ATOM 916 CE MET A 60 10.723 2.170 -0.482 1.00 0.00 C ATOM 0 H MET A 60 8.112 5.649 2.752 1.00 0.00 H new ATOM 0 HA MET A 60 6.775 3.159 2.510 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.519 4.150 3.202 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.149 2.515 3.711 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.848 1.740 1.507 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.367 3.314 0.904 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.692 2.231 -0.977 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.497 1.128 -0.254 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.953 2.572 -1.141 1.00 0.00 H new ATOM 926 N ARG A 61 7.540 4.018 5.617 1.00 0.00 N ATOM 927 CA ARG A 61 7.166 3.725 7.028 1.00 0.00 C ATOM 928 C ARG A 61 5.641 3.701 7.146 1.00 0.00 C ATOM 929 O ARG A 61 5.057 2.718 7.556 1.00 0.00 O ATOM 930 CB ARG A 61 7.733 4.814 7.942 1.00 0.00 C ATOM 931 CG ARG A 61 8.999 4.297 8.630 1.00 0.00 C ATOM 932 CD ARG A 61 10.212 4.562 7.737 1.00 0.00 C ATOM 933 NE ARG A 61 11.304 3.609 8.084 1.00 0.00 N ATOM 934 CZ ARG A 61 12.127 3.195 7.159 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.696 2.419 6.202 1.00 0.00 N ATOM 936 NH2 ARG A 61 13.382 3.554 7.193 1.00 0.00 N ATOM 0 H ARG A 61 8.232 4.758 5.495 1.00 0.00 H new ATOM 0 HA ARG A 61 7.573 2.758 7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.961 5.708 7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.992 5.099 8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.129 4.790 9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.907 3.229 8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.936 4.449 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.556 5.588 7.868 1.00 0.00 H new ATOM 0 HE ARG A 61 11.408 3.280 9.044 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.716 2.136 6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.339 2.095 5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.720 4.158 7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.025 3.230 6.470 1.00 0.00 H new ATOM 950 N MET A 62 4.994 4.776 6.788 1.00 0.00 N ATOM 951 CA MET A 62 3.508 4.819 6.876 1.00 0.00 C ATOM 952 C MET A 62 2.901 3.922 5.792 1.00 0.00 C ATOM 953 O MET A 62 1.732 3.594 5.829 1.00 0.00 O ATOM 954 CB MET A 62 3.030 6.257 6.675 1.00 0.00 C ATOM 955 CG MET A 62 3.440 7.102 7.882 1.00 0.00 C ATOM 956 SD MET A 62 4.051 8.710 7.315 1.00 0.00 S ATOM 957 CE MET A 62 2.437 9.498 7.087 1.00 0.00 C ATOM 0 H MET A 62 5.432 5.628 6.438 1.00 0.00 H new ATOM 0 HA MET A 62 3.192 4.463 7.857 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.461 6.671 5.764 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.947 6.278 6.553 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.589 7.239 8.549 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.213 6.588 8.453 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.577 10.519 6.733 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.858 8.936 6.354 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.902 9.513 8.037 1.00 0.00 H new ATOM 967 N ILE A 63 3.684 3.527 4.826 1.00 0.00 N ATOM 968 CA ILE A 63 3.149 2.656 3.740 1.00 0.00 C ATOM 969 C ILE A 63 3.283 1.184 4.152 1.00 0.00 C ATOM 970 O ILE A 63 2.309 0.464 4.238 1.00 0.00 O ATOM 971 CB ILE A 63 3.931 2.932 2.445 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.285 4.109 1.708 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.912 1.700 1.533 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.807 3.801 1.452 1.00 0.00 C ATOM 0 H ILE A 63 4.671 3.769 4.741 1.00 0.00 H new ATOM 0 HA ILE A 63 2.094 2.872 3.569 1.00 0.00 H new ATOM 0 HB ILE A 63 4.964 3.167 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.381 5.019 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.799 4.287 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.470 1.913 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.371 0.857 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.882 1.452 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.346 4.638 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.723 2.901 0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.298 3.644 2.403 1.00 0.00 H new ATOM 986 N GLU A 64 4.481 0.732 4.405 1.00 0.00 N ATOM 987 CA GLU A 64 4.672 -0.690 4.807 1.00 0.00 C ATOM 988 C GLU A 64 3.902 -0.957 6.100 1.00 0.00 C ATOM 989 O GLU A 64 3.074 -1.844 6.168 1.00 0.00 O ATOM 990 CB GLU A 64 6.159 -0.962 5.033 1.00 0.00 C ATOM 991 CG GLU A 64 6.833 -1.268 3.694 1.00 0.00 C ATOM 992 CD GLU A 64 8.025 -2.200 3.924 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.894 -3.112 4.722 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.050 -1.982 3.298 1.00 0.00 O ATOM 0 H GLU A 64 5.336 1.286 4.351 1.00 0.00 H new ATOM 0 HA GLU A 64 4.301 -1.345 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.631 -0.097 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.286 -1.802 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.120 -1.733 3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.166 -0.343 3.223 1.00 0.00 H new ATOM 1001 N GLY A 65 4.164 -0.197 7.127 1.00 0.00 N ATOM 1002 CA GLY A 65 3.439 -0.410 8.413 1.00 0.00 C ATOM 1003 C GLY A 65 1.944 -0.565 8.128 1.00 0.00 C ATOM 1004 O GLY A 65 1.217 -1.178 8.885 1.00 0.00 O ATOM 0 H GLY A 65 4.847 0.561 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.820 -1.299 8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.608 0.433 9.084 1.00 0.00 H new ATOM 1008 N THR A 66 1.485 -0.015 7.038 1.00 0.00 N ATOM 1009 CA THR A 66 0.040 -0.127 6.697 1.00 0.00 C ATOM 1010 C THR A 66 -0.232 -1.498 6.072 1.00 0.00 C ATOM 1011 O THR A 66 -1.100 -2.228 6.506 1.00 0.00 O ATOM 1012 CB THR A 66 -0.332 0.977 5.701 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.250 2.240 6.348 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.757 0.756 5.188 1.00 0.00 C ATOM 0 H THR A 66 2.049 0.508 6.368 1.00 0.00 H new ATOM 0 HA THR A 66 -0.560 -0.018 7.601 1.00 0.00 H new ATOM 0 HB THR A 66 0.359 0.951 4.858 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.684 2.536 6.370 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.015 1.544 4.481 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.819 -0.212 4.691 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.453 0.779 6.026 1.00 0.00 H new ATOM 1022 N ALA A 67 0.506 -1.856 5.054 1.00 0.00 N ATOM 1023 CA ALA A 67 0.288 -3.181 4.403 1.00 0.00 C ATOM 1024 C ALA A 67 0.393 -4.293 5.449 1.00 0.00 C ATOM 1025 O ALA A 67 -0.442 -5.173 5.519 1.00 0.00 O ATOM 1026 CB ALA A 67 1.350 -3.403 3.325 1.00 0.00 C ATOM 0 H ALA A 67 1.249 -1.289 4.646 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.703 -3.199 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.190 -4.371 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.278 -2.615 2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.340 -3.382 3.780 1.00 0.00 H new ATOM 1032 N ARG A 68 1.414 -4.262 6.262 1.00 0.00 N ATOM 1033 CA ARG A 68 1.574 -5.320 7.299 1.00 0.00 C ATOM 1034 C ARG A 68 0.329 -5.350 8.189 1.00 0.00 C ATOM 1035 O ARG A 68 0.024 -6.347 8.812 1.00 0.00 O ATOM 1036 CB ARG A 68 2.805 -5.014 8.154 1.00 0.00 C ATOM 1037 CG ARG A 68 2.804 -5.912 9.392 1.00 0.00 C ATOM 1038 CD ARG A 68 2.437 -5.082 10.623 1.00 0.00 C ATOM 1039 NE ARG A 68 2.493 -5.941 11.839 1.00 0.00 N ATOM 1040 CZ ARG A 68 2.727 -5.405 13.004 1.00 0.00 C ATOM 1041 NH1 ARG A 68 2.624 -4.113 13.160 1.00 0.00 N ATOM 1042 NH2 ARG A 68 3.062 -6.158 14.015 1.00 0.00 N ATOM 0 H ARG A 68 2.144 -3.550 6.253 1.00 0.00 H new ATOM 0 HA ARG A 68 1.700 -6.289 6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.713 -5.178 7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.802 -3.966 8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.091 -6.726 9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.786 -6.366 9.526 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.125 -4.243 10.726 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.437 -4.663 10.507 1.00 0.00 H new ATOM 0 HE ARG A 68 2.348 -6.948 11.760 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.360 -3.523 12.370 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.807 -3.693 14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.141 -7.168 13.895 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.245 -5.737 14.926 1.00 0.00 H new ATOM 1056 N SER A 69 -0.390 -4.265 8.251 1.00 0.00 N ATOM 1057 CA SER A 69 -1.615 -4.231 9.097 1.00 0.00 C ATOM 1058 C SER A 69 -2.757 -4.951 8.374 1.00 0.00 C ATOM 1059 O SER A 69 -3.828 -5.136 8.920 1.00 0.00 O ATOM 1060 CB SER A 69 -2.012 -2.777 9.360 1.00 0.00 C ATOM 1061 OG SER A 69 -0.869 -2.051 9.793 1.00 0.00 O ATOM 0 H SER A 69 -0.182 -3.400 7.752 1.00 0.00 H new ATOM 0 HA SER A 69 -1.416 -4.730 10.045 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.420 -2.329 8.454 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.794 -2.733 10.118 1.00 0.00 H new ATOM 0 HG SER A 69 -0.302 -1.843 9.021 1.00 0.00 H new ATOM 1067 N MET A 70 -2.541 -5.358 7.151 1.00 0.00 N ATOM 1068 CA MET A 70 -3.622 -6.062 6.400 1.00 0.00 C ATOM 1069 C MET A 70 -3.114 -7.426 5.915 1.00 0.00 C ATOM 1070 O MET A 70 -3.128 -8.397 6.647 1.00 0.00 O ATOM 1071 CB MET A 70 -4.043 -5.214 5.198 1.00 0.00 C ATOM 1072 CG MET A 70 -5.180 -4.278 5.609 1.00 0.00 C ATOM 1073 SD MET A 70 -6.768 -5.057 5.228 1.00 0.00 S ATOM 1074 CE MET A 70 -7.296 -3.884 3.955 1.00 0.00 C ATOM 0 H MET A 70 -1.666 -5.234 6.641 1.00 0.00 H new ATOM 0 HA MET A 70 -4.479 -6.212 7.057 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.195 -4.635 4.833 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.365 -5.858 4.380 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.117 -4.058 6.675 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.093 -3.328 5.081 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.273 -4.178 3.572 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.361 -2.885 4.385 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.573 -3.882 3.140 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.668 -7.511 4.689 1.00 0.00 N ATOM 1085 CA GLY A 71 -2.165 -8.816 4.167 1.00 0.00 C ATOM 1086 C GLY A 71 -1.185 -8.564 3.019 1.00 0.00 C ATOM 1087 O GLY A 71 -1.310 -9.123 1.945 1.00 0.00 O ATOM 0 H GLY A 71 -2.630 -6.735 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.672 -9.373 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.999 -9.426 3.820 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.205 -7.731 3.240 1.00 0.00 N ATOM 1092 CA ILE A 72 0.784 -7.443 2.165 1.00 0.00 C ATOM 1093 C ILE A 72 2.146 -7.156 2.798 1.00 0.00 C ATOM 1094 O ILE A 72 2.322 -6.186 3.507 1.00 0.00 O ATOM 1095 CB ILE A 72 0.326 -6.228 1.357 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.860 -6.622 0.473 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.476 -5.737 0.474 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -2.160 -6.483 1.267 1.00 0.00 C ATOM 0 H ILE A 72 -0.047 -7.238 4.119 1.00 0.00 H new ATOM 0 HA ILE A 72 0.864 -8.304 1.502 1.00 0.00 H new ATOM 0 HB ILE A 72 0.026 -5.432 2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.893 -5.987 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.742 -7.648 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.149 -4.871 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.322 -5.457 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.777 -6.533 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.003 -6.764 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.125 -7.136 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.279 -5.450 1.593 1.00 0.00 H new ATOM 1110 N VAL A 73 3.107 -8.003 2.553 1.00 0.00 N ATOM 1111 CA VAL A 73 4.458 -7.796 3.144 1.00 0.00 C ATOM 1112 C VAL A 73 5.372 -7.107 2.131 1.00 0.00 C ATOM 1113 O VAL A 73 5.059 -7.008 0.961 1.00 0.00 O ATOM 1114 CB VAL A 73 5.046 -9.155 3.521 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.453 -8.964 4.091 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.152 -9.811 4.574 1.00 0.00 C ATOM 0 H VAL A 73 3.014 -8.832 1.967 1.00 0.00 H new ATOM 0 HA VAL A 73 4.376 -7.166 4.030 1.00 0.00 H new ATOM 0 HB VAL A 73 5.100 -9.790 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.872 -9.934 4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.088 -8.490 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.404 -8.332 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.565 -10.782 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.103 -9.175 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.149 -9.945 4.168 1.00 0.00 H new ATOM 1126 N VAL A 74 6.502 -6.629 2.574 1.00 0.00 N ATOM 1127 CA VAL A 74 7.441 -5.944 1.643 1.00 0.00 C ATOM 1128 C VAL A 74 8.879 -6.225 2.074 1.00 0.00 C ATOM 1129 O VAL A 74 9.219 -6.136 3.237 1.00 0.00 O ATOM 1130 CB VAL A 74 7.185 -4.437 1.682 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.132 -3.735 0.707 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.735 -4.153 1.279 1.00 0.00 C ATOM 0 H VAL A 74 6.816 -6.684 3.543 1.00 0.00 H new ATOM 0 HA VAL A 74 7.285 -6.315 0.630 1.00 0.00 H new ATOM 0 HB VAL A 74 7.360 -4.065 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.951 -2.661 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.164 -3.936 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.957 -4.108 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.553 -3.079 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.558 -4.525 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.060 -4.653 1.973 1.00 0.00 H new ATOM 1142 N GLU A 75 9.728 -6.565 1.144 1.00 0.00 N ATOM 1143 CA GLU A 75 11.145 -6.852 1.497 1.00 0.00 C ATOM 1144 C GLU A 75 12.041 -5.740 0.957 1.00 0.00 C ATOM 1145 O GLU A 75 11.685 -5.036 0.032 1.00 0.00 O ATOM 1146 CB GLU A 75 11.564 -8.190 0.882 1.00 0.00 C ATOM 1147 CG GLU A 75 12.513 -8.914 1.838 1.00 0.00 C ATOM 1148 CD GLU A 75 13.519 -9.738 1.032 1.00 0.00 C ATOM 1149 OE1 GLU A 75 13.213 -10.062 -0.103 1.00 0.00 O ATOM 1150 OE2 GLU A 75 14.577 -10.030 1.564 1.00 0.00 O ATOM 0 H GLU A 75 9.501 -6.656 0.154 1.00 0.00 H new ATOM 0 HA GLU A 75 11.245 -6.904 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.685 -8.805 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.054 -8.024 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.037 -8.191 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.947 -9.563 2.506 1.00 0.00 H new ATOM 1157 N ASP A 76 13.202 -5.576 1.526 1.00 0.00 N ATOM 1158 CA ASP A 76 14.120 -4.511 1.043 1.00 0.00 C ATOM 1159 C ASP A 76 15.533 -4.772 1.571 1.00 0.00 C ATOM 1160 O ASP A 76 16.474 -4.354 0.916 1.00 0.00 O ATOM 1161 CB ASP A 76 13.633 -3.149 1.544 1.00 0.00 C ATOM 1162 CG ASP A 76 14.233 -2.043 0.674 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.442 -1.886 0.702 1.00 0.00 O ATOM 1164 OD2 ASP A 76 13.473 -1.373 -0.004 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.649 -5.384 2.618 1.00 0.00 O ATOM 0 H ASP A 76 13.554 -6.134 2.304 1.00 0.00 H new ATOM 0 HA ASP A 76 14.134 -4.514 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.544 -3.104 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.924 -3.007 2.585 1.00 0.00 H new