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 23:sc= 0.891 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 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -0.02 (180deg=-0.468) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= -0.141 (180deg=-0.141) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 55 SER OG : rot 68:sc= 0.307 USER MOD Single : A 60 MET CE :methyl 161:sc= -0.458 (180deg=-1.75!) USER MOD Single : A 62 MET CE :methyl -144:sc= -0.944 (180deg=-4.32!) USER MOD Single : A 66 THR OG1 : rot 65:sc= 1.05 USER MOD Single : A 69 SER OG : rot 86:sc= 0.477 USER MOD Single : A 70 MET CE :methyl 172:sc=-0.00142 (180deg=-0.0287) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.019 8.427 -6.933 1.00 0.00 N ATOM 110 CA THR A 7 -5.451 7.138 -6.471 1.00 0.00 C ATOM 111 C THR A 7 -6.111 6.738 -5.143 1.00 0.00 C ATOM 112 O THR A 7 -6.507 7.590 -4.372 1.00 0.00 O ATOM 113 CB THR A 7 -3.951 7.354 -6.271 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.503 8.364 -7.165 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.183 6.062 -6.543 1.00 0.00 C ATOM 0 HA THR A 7 -5.629 6.343 -7.195 1.00 0.00 H new ATOM 0 HB THR A 7 -3.771 7.658 -5.240 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.260 8.929 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.117 6.235 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.523 5.286 -5.858 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.360 5.743 -7.570 1.00 0.00 H new ATOM 123 N PRO A 8 -6.212 5.453 -4.912 1.00 0.00 N ATOM 124 CA PRO A 8 -6.820 4.914 -3.682 1.00 0.00 C ATOM 125 C PRO A 8 -5.830 5.019 -2.518 1.00 0.00 C ATOM 126 O PRO A 8 -4.702 5.420 -2.708 1.00 0.00 O ATOM 127 CB PRO A 8 -7.118 3.454 -4.039 1.00 0.00 C ATOM 128 CG PRO A 8 -6.185 3.091 -5.218 1.00 0.00 C ATOM 129 CD PRO A 8 -5.726 4.421 -5.847 1.00 0.00 C ATOM 0 HA PRO A 8 -7.714 5.450 -3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.936 2.801 -3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.164 3.329 -4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.329 2.512 -4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.709 2.477 -5.951 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.642 4.458 -5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.147 4.556 -6.843 1.00 0.00 H new ATOM 137 N PRO A 9 -6.287 4.668 -1.344 1.00 0.00 N ATOM 138 CA PRO A 9 -5.461 4.726 -0.125 1.00 0.00 C ATOM 139 C PRO A 9 -4.440 3.583 -0.098 1.00 0.00 C ATOM 140 O PRO A 9 -4.653 2.531 -0.665 1.00 0.00 O ATOM 141 CB PRO A 9 -6.481 4.593 1.011 1.00 0.00 C ATOM 142 CG PRO A 9 -7.730 3.922 0.398 1.00 0.00 C ATOM 143 CD PRO A 9 -7.664 4.175 -1.122 1.00 0.00 C ATOM 0 HA PRO A 9 -4.873 5.641 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.078 3.992 1.827 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.729 5.570 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.741 2.853 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.643 4.342 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.857 3.263 -1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.406 4.909 -1.437 1.00 0.00 H new ATOM 151 N ALA A 10 -3.329 3.797 0.553 1.00 0.00 N ATOM 152 CA ALA A 10 -2.276 2.744 0.622 1.00 0.00 C ATOM 153 C ALA A 10 -2.917 1.370 0.830 1.00 0.00 C ATOM 154 O ALA A 10 -2.900 0.532 -0.045 1.00 0.00 O ATOM 155 CB ALA A 10 -1.334 3.042 1.789 1.00 0.00 C ATOM 0 H ALA A 10 -3.104 4.663 1.044 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.717 2.740 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.564 2.273 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.866 4.015 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.900 3.051 2.720 1.00 0.00 H new ATOM 161 N ALA A 11 -3.470 1.132 1.987 1.00 0.00 N ATOM 162 CA ALA A 11 -4.100 -0.192 2.254 1.00 0.00 C ATOM 163 C ALA A 11 -4.906 -0.647 1.033 1.00 0.00 C ATOM 164 O ALA A 11 -4.583 -1.631 0.400 1.00 0.00 O ATOM 165 CB ALA A 11 -5.026 -0.079 3.466 1.00 0.00 C ATOM 0 H ALA A 11 -3.513 1.797 2.759 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.319 -0.925 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.488 -1.047 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.449 0.231 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.802 0.659 3.263 1.00 0.00 H new ATOM 171 N VAL A 12 -5.954 0.053 0.701 1.00 0.00 N ATOM 172 CA VAL A 12 -6.779 -0.352 -0.474 1.00 0.00 C ATOM 173 C VAL A 12 -5.892 -0.474 -1.719 1.00 0.00 C ATOM 174 O VAL A 12 -5.950 -1.451 -2.439 1.00 0.00 O ATOM 175 CB VAL A 12 -7.860 0.702 -0.721 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.599 0.386 -2.023 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.853 0.691 0.444 1.00 0.00 C ATOM 0 H VAL A 12 -6.276 0.888 1.191 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.244 -1.317 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.397 1.686 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.368 1.138 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.892 0.392 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.063 -0.597 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.625 1.441 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.314 -0.294 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.328 0.918 1.372 1.00 0.00 H new ATOM 187 N LEU A 13 -5.077 0.511 -1.980 1.00 0.00 N ATOM 188 CA LEU A 13 -4.192 0.449 -3.181 1.00 0.00 C ATOM 189 C LEU A 13 -3.327 -0.805 -3.122 1.00 0.00 C ATOM 190 O LEU A 13 -3.248 -1.566 -4.064 1.00 0.00 O ATOM 191 CB LEU A 13 -3.287 1.678 -3.212 1.00 0.00 C ATOM 192 CG LEU A 13 -2.784 1.911 -4.636 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.524 3.402 -4.846 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.484 1.133 -4.849 1.00 0.00 C ATOM 0 H LEU A 13 -4.985 1.355 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.811 0.423 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.834 2.553 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.443 1.538 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.535 1.569 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.165 3.569 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.449 3.958 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.772 3.744 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.123 1.298 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.733 1.477 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.668 0.069 -4.697 1.00 0.00 H new ATOM 206 N LEU A 14 -2.676 -1.018 -2.021 1.00 0.00 N ATOM 207 CA LEU A 14 -1.805 -2.217 -1.886 1.00 0.00 C ATOM 208 C LEU A 14 -2.676 -3.472 -1.896 1.00 0.00 C ATOM 209 O LEU A 14 -2.409 -4.417 -2.616 1.00 0.00 O ATOM 210 CB LEU A 14 -1.034 -2.138 -0.566 1.00 0.00 C ATOM 211 CG LEU A 14 -0.018 -0.997 -0.641 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.219 -0.056 0.549 1.00 0.00 C ATOM 213 CD2 LEU A 14 1.400 -1.569 -0.600 1.00 0.00 C ATOM 0 H LEU A 14 -2.707 -0.412 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.099 -2.256 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.724 -1.972 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.524 -3.082 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.161 -0.447 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.505 0.757 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.228 0.354 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.077 -0.608 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.123 -0.755 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.543 -2.121 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.546 -2.240 -1.446 1.00 0.00 H new ATOM 225 N LYS A 15 -3.721 -3.482 -1.112 1.00 0.00 N ATOM 226 CA LYS A 15 -4.618 -4.669 -1.083 1.00 0.00 C ATOM 227 C LYS A 15 -5.105 -4.955 -2.503 1.00 0.00 C ATOM 228 O LYS A 15 -5.027 -6.063 -2.992 1.00 0.00 O ATOM 229 CB LYS A 15 -5.820 -4.383 -0.179 1.00 0.00 C ATOM 230 CG LYS A 15 -5.951 -5.499 0.861 1.00 0.00 C ATOM 231 CD LYS A 15 -7.062 -6.462 0.438 1.00 0.00 C ATOM 232 CE LYS A 15 -7.540 -7.259 1.653 1.00 0.00 C ATOM 233 NZ LYS A 15 -8.206 -8.511 1.197 1.00 0.00 N ATOM 0 H LYS A 15 -3.990 -2.719 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.076 -5.532 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.695 -3.421 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.730 -4.318 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.007 -6.035 0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.176 -5.074 1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.894 -5.906 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.696 -7.140 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.695 -7.499 2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.233 -6.660 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.531 -9.052 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.022 -8.272 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.531 -9.084 0.651 1.00 0.00 H new ATOM 247 N LYS A 16 -5.598 -3.965 -3.184 1.00 0.00 N ATOM 248 CA LYS A 16 -6.065 -4.206 -4.570 1.00 0.00 C ATOM 249 C LYS A 16 -4.851 -4.425 -5.461 1.00 0.00 C ATOM 250 O LYS A 16 -4.838 -5.278 -6.326 1.00 0.00 O ATOM 251 CB LYS A 16 -6.871 -3.002 -5.068 1.00 0.00 C ATOM 252 CG LYS A 16 -8.050 -3.488 -5.915 1.00 0.00 C ATOM 253 CD LYS A 16 -9.366 -3.043 -5.270 1.00 0.00 C ATOM 254 CE LYS A 16 -10.508 -3.200 -6.274 1.00 0.00 C ATOM 255 NZ LYS A 16 -11.805 -2.893 -5.605 1.00 0.00 N ATOM 0 H LYS A 16 -5.697 -3.008 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.707 -5.086 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.234 -2.419 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.233 -2.344 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.975 -3.086 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.025 -4.574 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.566 -3.639 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.292 -2.004 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.356 -2.531 -7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.522 -4.216 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.582 -3.000 -6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.950 -3.549 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.789 -1.916 -5.249 1.00 0.00 H new ATOM 269 N ALA A 17 -3.831 -3.657 -5.245 1.00 0.00 N ATOM 270 CA ALA A 17 -2.597 -3.801 -6.062 1.00 0.00 C ATOM 271 C ALA A 17 -1.949 -5.166 -5.801 1.00 0.00 C ATOM 272 O ALA A 17 -2.259 -6.146 -6.450 1.00 0.00 O ATOM 273 CB ALA A 17 -1.611 -2.690 -5.696 1.00 0.00 C ATOM 0 H ALA A 17 -3.795 -2.928 -4.532 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.858 -3.727 -7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.706 -2.795 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.066 -1.720 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.357 -2.763 -4.639 1.00 0.00 H new ATOM 279 N ALA A 18 -1.037 -5.231 -4.867 1.00 0.00 N ATOM 280 CA ALA A 18 -0.348 -6.522 -4.573 1.00 0.00 C ATOM 281 C ALA A 18 -1.181 -7.375 -3.614 1.00 0.00 C ATOM 282 O ALA A 18 -0.852 -8.516 -3.349 1.00 0.00 O ATOM 283 CB ALA A 18 1.015 -6.236 -3.940 1.00 0.00 C ATOM 0 H ALA A 18 -0.739 -4.442 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.221 -7.069 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.521 -7.177 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.621 -5.649 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.876 -5.678 -3.014 1.00 0.00 H new ATOM 289 N GLY A 19 -2.243 -6.845 -3.075 1.00 0.00 N ATOM 290 CA GLY A 19 -3.060 -7.649 -2.124 1.00 0.00 C ATOM 291 C GLY A 19 -3.658 -8.852 -2.849 1.00 0.00 C ATOM 292 O GLY A 19 -4.038 -9.820 -2.230 1.00 0.00 O ATOM 0 H GLY A 19 -2.579 -5.898 -3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.441 -7.984 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.855 -7.034 -1.703 1.00 0.00 H new ATOM 447 N LYS A 31 -0.575 -12.330 6.070 1.00 0.00 N ATOM 448 CA LYS A 31 0.370 -12.248 4.920 1.00 0.00 C ATOM 449 C LYS A 31 -0.123 -13.141 3.778 1.00 0.00 C ATOM 450 O LYS A 31 -0.026 -14.350 3.836 1.00 0.00 O ATOM 451 CB LYS A 31 1.759 -12.707 5.370 1.00 0.00 C ATOM 452 CG LYS A 31 2.163 -11.943 6.631 1.00 0.00 C ATOM 453 CD LYS A 31 3.238 -12.728 7.384 1.00 0.00 C ATOM 454 CE LYS A 31 3.432 -12.125 8.777 1.00 0.00 C ATOM 455 NZ LYS A 31 3.884 -13.187 9.720 1.00 0.00 N ATOM 0 HA LYS A 31 0.423 -11.217 4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.754 -13.779 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.486 -12.532 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.539 -10.955 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.294 -11.792 7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.947 -13.775 7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.177 -12.701 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.168 -11.322 8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.498 -11.686 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.016 -12.777 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.167 -13.939 9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.785 -13.586 9.387 1.00 0.00 H new ATOM 469 N VAL A 32 -0.646 -12.553 2.733 1.00 0.00 N ATOM 470 CA VAL A 32 -1.136 -13.371 1.588 1.00 0.00 C ATOM 471 C VAL A 32 -0.383 -12.977 0.315 1.00 0.00 C ATOM 472 O VAL A 32 -0.631 -13.502 -0.752 1.00 0.00 O ATOM 473 CB VAL A 32 -2.641 -13.144 1.397 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.326 -13.081 2.764 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.882 -11.828 0.651 1.00 0.00 C ATOM 0 H VAL A 32 -0.754 -11.545 2.625 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.959 -14.426 1.796 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.053 -13.968 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.395 -12.920 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.165 -14.019 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.906 -12.259 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.953 -11.675 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.465 -11.002 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.399 -11.870 -0.325 1.00 0.00 H new ATOM 485 N ALA A 33 0.533 -12.057 0.420 1.00 0.00 N ATOM 486 CA ALA A 33 1.301 -11.628 -0.783 1.00 0.00 C ATOM 487 C ALA A 33 2.464 -10.734 -0.352 1.00 0.00 C ATOM 488 O ALA A 33 2.289 -9.786 0.388 1.00 0.00 O ATOM 489 CB ALA A 33 0.379 -10.854 -1.726 1.00 0.00 C ATOM 0 H ALA A 33 0.784 -11.582 1.287 1.00 0.00 H new ATOM 0 HA ALA A 33 1.692 -12.505 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.940 -10.540 -2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.448 -11.494 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.012 -9.976 -1.213 1.00 0.00 H new ATOM 495 N THR A 34 3.649 -11.026 -0.810 1.00 0.00 N ATOM 496 CA THR A 34 4.821 -10.192 -0.424 1.00 0.00 C ATOM 497 C THR A 34 5.423 -9.543 -1.672 1.00 0.00 C ATOM 498 O THR A 34 5.439 -10.120 -2.740 1.00 0.00 O ATOM 499 CB THR A 34 5.874 -11.074 0.252 1.00 0.00 C ATOM 500 OG1 THR A 34 5.418 -11.443 1.546 1.00 0.00 O ATOM 501 CG2 THR A 34 7.190 -10.304 0.373 1.00 0.00 C ATOM 0 H THR A 34 3.857 -11.805 -1.434 1.00 0.00 H new ATOM 0 HA THR A 34 4.499 -9.414 0.268 1.00 0.00 H new ATOM 0 HB THR A 34 6.036 -11.970 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.090 -12.009 1.980 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.937 -10.934 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.539 -10.022 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.033 -9.406 0.971 1.00 0.00 H new ATOM 509 N ILE A 35 5.921 -8.344 -1.540 1.00 0.00 N ATOM 510 CA ILE A 35 6.527 -7.648 -2.715 1.00 0.00 C ATOM 511 C ILE A 35 7.762 -6.871 -2.259 1.00 0.00 C ATOM 512 O ILE A 35 7.901 -6.541 -1.103 1.00 0.00 O ATOM 513 CB ILE A 35 5.509 -6.673 -3.308 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.744 -5.994 -2.168 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.530 -7.435 -4.201 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.628 -5.122 -2.743 1.00 0.00 C ATOM 0 H ILE A 35 5.935 -7.814 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 35 6.812 -8.383 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 35 6.025 -5.920 -3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.323 -6.746 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.424 -5.385 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.805 -6.739 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.077 -7.922 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.009 -8.188 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.086 -4.641 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.059 -4.360 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.941 -5.743 -3.319 1.00 0.00 H new ATOM 528 N LYS A 36 8.662 -6.572 -3.147 1.00 0.00 N ATOM 529 CA LYS A 36 9.872 -5.812 -2.728 1.00 0.00 C ATOM 530 C LYS A 36 9.561 -4.314 -2.754 1.00 0.00 C ATOM 531 O LYS A 36 8.429 -3.909 -2.926 1.00 0.00 O ATOM 532 CB LYS A 36 11.028 -6.116 -3.682 1.00 0.00 C ATOM 533 CG LYS A 36 12.187 -6.732 -2.893 1.00 0.00 C ATOM 534 CD LYS A 36 13.168 -7.395 -3.860 1.00 0.00 C ATOM 535 CE LYS A 36 12.412 -8.381 -4.753 1.00 0.00 C ATOM 536 NZ LYS A 36 13.293 -9.543 -5.067 1.00 0.00 N ATOM 0 H LYS A 36 8.616 -6.817 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 36 10.157 -6.107 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.699 -6.802 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.356 -5.202 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.696 -5.962 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.807 -7.467 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.661 -6.639 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.948 -7.915 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.507 -8.722 -4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.100 -7.888 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.780 -10.214 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.144 -9.209 -5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.570 -10.017 -4.184 1.00 0.00 H new ATOM 550 N ARG A 37 10.555 -3.487 -2.581 1.00 0.00 N ATOM 551 CA ARG A 37 10.309 -2.019 -2.591 1.00 0.00 C ATOM 552 C ARG A 37 9.798 -1.588 -3.967 1.00 0.00 C ATOM 553 O ARG A 37 9.303 -0.494 -4.141 1.00 0.00 O ATOM 554 CB ARG A 37 11.610 -1.278 -2.271 1.00 0.00 C ATOM 555 CG ARG A 37 12.536 -1.313 -3.491 1.00 0.00 C ATOM 556 CD ARG A 37 13.994 -1.339 -3.027 1.00 0.00 C ATOM 557 NE ARG A 37 14.500 -2.739 -3.061 1.00 0.00 N ATOM 558 CZ ARG A 37 14.636 -3.358 -4.202 1.00 0.00 C ATOM 559 NH1 ARG A 37 14.551 -2.692 -5.320 1.00 0.00 N ATOM 560 NH2 ARG A 37 14.856 -4.644 -4.223 1.00 0.00 N ATOM 0 H ARG A 37 11.525 -3.765 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 37 9.559 -1.776 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.394 -0.246 -1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.102 -1.740 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.321 -2.192 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.359 -0.440 -4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.603 -0.705 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.073 -0.937 -2.017 1.00 0.00 H new ATOM 0 HE ARG A 37 14.741 -3.215 -2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.378 -1.687 -5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.657 -3.176 -6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.922 -5.165 -3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.962 -5.129 -5.114 1.00 0.00 H new ATOM 574 N ASP A 38 9.921 -2.442 -4.942 1.00 0.00 N ATOM 575 CA ASP A 38 9.448 -2.088 -6.314 1.00 0.00 C ATOM 576 C ASP A 38 7.952 -1.766 -6.280 1.00 0.00 C ATOM 577 O ASP A 38 7.478 -0.888 -6.975 1.00 0.00 O ATOM 578 CB ASP A 38 9.695 -3.267 -7.258 1.00 0.00 C ATOM 579 CG ASP A 38 11.192 -3.581 -7.304 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.957 -2.807 -6.753 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.547 -4.592 -7.889 1.00 0.00 O ATOM 0 H ASP A 38 10.329 -3.372 -4.851 1.00 0.00 H new ATOM 0 HA ASP A 38 9.995 -1.215 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.140 -4.141 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.332 -3.028 -8.258 1.00 0.00 H new ATOM 586 N LYS A 39 7.205 -2.473 -5.479 1.00 0.00 N ATOM 587 CA LYS A 39 5.739 -2.215 -5.406 1.00 0.00 C ATOM 588 C LYS A 39 5.473 -1.033 -4.483 1.00 0.00 C ATOM 589 O LYS A 39 4.784 -0.097 -4.839 1.00 0.00 O ATOM 590 CB LYS A 39 5.050 -3.438 -4.836 1.00 0.00 C ATOM 591 CG LYS A 39 4.478 -4.282 -5.977 1.00 0.00 C ATOM 592 CD LYS A 39 5.624 -4.837 -6.826 1.00 0.00 C ATOM 593 CE LYS A 39 5.093 -5.944 -7.737 1.00 0.00 C ATOM 594 NZ LYS A 39 5.973 -7.141 -7.625 1.00 0.00 N ATOM 0 H LYS A 39 7.546 -3.218 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 39 5.360 -1.996 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.757 -4.028 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.252 -3.136 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.881 -5.100 -5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.814 -3.676 -6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.067 -4.040 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.412 -5.228 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.072 -6.202 -7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.062 -5.597 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.437 -7.992 -7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.788 -7.033 -8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.309 -7.234 -6.645 1.00 0.00 H new ATOM 608 N VAL A 40 6.029 -1.055 -3.307 1.00 0.00 N ATOM 609 CA VAL A 40 5.817 0.083 -2.382 1.00 0.00 C ATOM 610 C VAL A 40 6.474 1.302 -3.018 1.00 0.00 C ATOM 611 O VAL A 40 6.219 2.430 -2.646 1.00 0.00 O ATOM 612 CB VAL A 40 6.464 -0.223 -1.024 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.721 1.081 -0.262 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.524 -1.107 -0.203 1.00 0.00 C ATOM 0 H VAL A 40 6.617 -1.808 -2.950 1.00 0.00 H new ATOM 0 HA VAL A 40 4.755 0.262 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 40 7.411 -0.738 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.180 0.856 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.390 1.716 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.776 1.600 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.981 -1.326 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.579 -0.587 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.341 -2.039 -0.738 1.00 0.00 H new ATOM 624 N ARG A 41 7.300 1.074 -4.005 1.00 0.00 N ATOM 625 CA ARG A 41 7.953 2.216 -4.699 1.00 0.00 C ATOM 626 C ARG A 41 6.905 2.907 -5.569 1.00 0.00 C ATOM 627 O ARG A 41 6.566 4.055 -5.361 1.00 0.00 O ATOM 628 CB ARG A 41 9.098 1.707 -5.581 1.00 0.00 C ATOM 629 CG ARG A 41 10.422 1.844 -4.827 1.00 0.00 C ATOM 630 CD ARG A 41 11.093 3.168 -5.206 1.00 0.00 C ATOM 631 NE ARG A 41 10.489 4.279 -4.417 1.00 0.00 N ATOM 632 CZ ARG A 41 10.793 5.518 -4.695 1.00 0.00 C ATOM 633 NH1 ARG A 41 12.045 5.874 -4.812 1.00 0.00 N ATOM 634 NH2 ARG A 41 9.845 6.402 -4.854 1.00 0.00 N ATOM 0 H ARG A 41 7.548 0.150 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 41 8.360 2.914 -3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.927 0.665 -5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.136 2.275 -6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.246 1.808 -3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.079 1.009 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.164 3.112 -5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.970 3.357 -6.272 1.00 0.00 H new ATOM 0 HE ARG A 41 9.838 4.071 -3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.785 5.184 -4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.282 6.842 -5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.868 6.124 -4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.082 7.370 -5.071 1.00 0.00 H new ATOM 648 N GLU A 42 6.378 2.200 -6.530 1.00 0.00 N ATOM 649 CA GLU A 42 5.332 2.800 -7.406 1.00 0.00 C ATOM 650 C GLU A 42 4.109 3.123 -6.551 1.00 0.00 C ATOM 651 O GLU A 42 3.600 4.228 -6.555 1.00 0.00 O ATOM 652 CB GLU A 42 4.945 1.801 -8.501 1.00 0.00 C ATOM 653 CG GLU A 42 5.874 1.978 -9.704 1.00 0.00 C ATOM 654 CD GLU A 42 5.682 3.376 -10.298 1.00 0.00 C ATOM 655 OE1 GLU A 42 6.339 4.292 -9.830 1.00 0.00 O ATOM 656 OE2 GLU A 42 4.883 3.506 -11.211 1.00 0.00 O ATOM 0 H GLU A 42 6.626 1.235 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 42 5.711 3.709 -7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.016 0.782 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.909 1.958 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.911 1.841 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.660 1.219 -10.457 1.00 0.00 H new ATOM 663 N ILE A 43 3.643 2.158 -5.811 1.00 0.00 N ATOM 664 CA ILE A 43 2.459 2.373 -4.938 1.00 0.00 C ATOM 665 C ILE A 43 2.624 3.688 -4.170 1.00 0.00 C ATOM 666 O ILE A 43 1.789 4.568 -4.245 1.00 0.00 O ATOM 667 CB ILE A 43 2.356 1.196 -3.961 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.680 0.017 -4.664 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.529 1.594 -2.733 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.307 -1.294 -4.186 1.00 0.00 C ATOM 0 H ILE A 43 4.037 1.218 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 43 1.550 2.431 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 43 3.358 0.915 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.611 0.019 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.791 0.112 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.464 0.748 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.007 2.434 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.526 1.883 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.824 -2.132 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.371 -1.295 -4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.173 -1.390 -3.109 1.00 0.00 H new ATOM 682 N ALA A 44 3.691 3.830 -3.436 1.00 0.00 N ATOM 683 CA ALA A 44 3.899 5.090 -2.673 1.00 0.00 C ATOM 684 C ALA A 44 3.960 6.259 -3.655 1.00 0.00 C ATOM 685 O ALA A 44 3.363 7.297 -3.441 1.00 0.00 O ATOM 686 CB ALA A 44 5.214 5.007 -1.895 1.00 0.00 C ATOM 0 H ALA A 44 4.426 3.130 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 44 3.077 5.237 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.365 5.931 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.174 4.166 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.040 4.865 -2.591 1.00 0.00 H new ATOM 692 N GLU A 45 4.672 6.098 -4.736 1.00 0.00 N ATOM 693 CA GLU A 45 4.765 7.198 -5.734 1.00 0.00 C ATOM 694 C GLU A 45 3.365 7.536 -6.240 1.00 0.00 C ATOM 695 O GLU A 45 3.037 8.680 -6.483 1.00 0.00 O ATOM 696 CB GLU A 45 5.643 6.755 -6.907 1.00 0.00 C ATOM 697 CG GLU A 45 5.791 7.911 -7.897 1.00 0.00 C ATOM 698 CD GLU A 45 7.248 8.011 -8.353 1.00 0.00 C ATOM 699 OE1 GLU A 45 7.907 6.983 -8.392 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.679 9.109 -8.659 1.00 0.00 O ATOM 0 H GLU A 45 5.193 5.253 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 45 5.208 8.078 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.623 6.444 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.198 5.892 -7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.140 7.753 -8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.480 8.846 -7.430 1.00 0.00 H new ATOM 707 N LEU A 46 2.536 6.545 -6.390 1.00 0.00 N ATOM 708 CA LEU A 46 1.150 6.801 -6.871 1.00 0.00 C ATOM 709 C LEU A 46 0.396 7.611 -5.816 1.00 0.00 C ATOM 710 O LEU A 46 -0.027 8.721 -6.057 1.00 0.00 O ATOM 711 CB LEU A 46 0.431 5.469 -7.100 1.00 0.00 C ATOM 712 CG LEU A 46 -0.062 5.397 -8.546 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.918 4.570 -9.380 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.441 4.735 -8.581 1.00 0.00 C ATOM 0 H LEU A 46 2.757 5.567 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 46 1.185 7.357 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.106 4.639 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.410 5.375 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.129 6.405 -8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.566 4.519 -10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.902 5.038 -9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.985 3.563 -8.969 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.794 4.683 -9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.372 3.728 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.142 5.322 -7.987 1.00 0.00 H new ATOM 726 N LYS A 47 0.226 7.053 -4.646 1.00 0.00 N ATOM 727 CA LYS A 47 -0.496 7.775 -3.558 1.00 0.00 C ATOM 728 C LYS A 47 0.436 8.785 -2.871 1.00 0.00 C ATOM 729 O LYS A 47 0.160 9.247 -1.782 1.00 0.00 O ATOM 730 CB LYS A 47 -0.982 6.759 -2.522 1.00 0.00 C ATOM 731 CG LYS A 47 -2.510 6.730 -2.506 1.00 0.00 C ATOM 732 CD LYS A 47 -3.040 8.051 -1.950 1.00 0.00 C ATOM 733 CE LYS A 47 -3.540 7.841 -0.519 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.988 8.186 -0.445 1.00 0.00 N ATOM 0 H LYS A 47 0.559 6.122 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.341 8.311 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.592 5.769 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.603 7.023 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.892 6.568 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.862 5.899 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.253 8.805 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.849 8.423 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.386 6.805 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.971 8.463 0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.330 8.044 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.122 9.181 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.524 7.574 -1.093 1.00 0.00 H new ATOM 748 N MET A 48 1.543 9.119 -3.472 1.00 0.00 N ATOM 749 CA MET A 48 2.484 10.074 -2.819 1.00 0.00 C ATOM 750 C MET A 48 1.886 11.488 -2.727 1.00 0.00 C ATOM 751 O MET A 48 1.976 12.118 -1.692 1.00 0.00 O ATOM 752 CB MET A 48 3.784 10.129 -3.622 1.00 0.00 C ATOM 753 CG MET A 48 4.961 10.358 -2.673 1.00 0.00 C ATOM 754 SD MET A 48 5.132 12.129 -2.340 1.00 0.00 S ATOM 755 CE MET A 48 6.885 12.107 -1.894 1.00 0.00 C ATOM 0 H MET A 48 1.838 8.774 -4.385 1.00 0.00 H new ATOM 0 HA MET A 48 2.674 9.721 -1.806 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.923 9.199 -4.173 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.735 10.931 -4.358 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.801 9.816 -1.741 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.879 9.970 -3.115 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.210 13.117 -1.646 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.033 11.456 -1.032 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.470 11.734 -2.735 1.00 0.00 H new ATOM 765 N PRO A 49 1.305 11.961 -3.803 1.00 0.00 N ATOM 766 CA PRO A 49 0.708 13.307 -3.842 1.00 0.00 C ATOM 767 C PRO A 49 -0.635 13.325 -3.104 1.00 0.00 C ATOM 768 O PRO A 49 -1.253 14.360 -2.950 1.00 0.00 O ATOM 769 CB PRO A 49 0.529 13.582 -5.338 1.00 0.00 C ATOM 770 CG PRO A 49 0.505 12.201 -6.033 1.00 0.00 C ATOM 771 CD PRO A 49 1.181 11.208 -5.067 1.00 0.00 C ATOM 0 HA PRO A 49 1.323 14.062 -3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.396 14.128 -5.525 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.344 14.196 -5.721 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.518 11.894 -6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.035 12.237 -6.985 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.581 10.307 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.155 10.891 -5.439 1.00 0.00 H new ATOM 779 N ASP A 50 -1.084 12.192 -2.637 1.00 0.00 N ATOM 780 CA ASP A 50 -2.378 12.155 -1.900 1.00 0.00 C ATOM 781 C ASP A 50 -2.137 11.598 -0.496 1.00 0.00 C ATOM 782 O ASP A 50 -2.801 11.968 0.452 1.00 0.00 O ATOM 783 CB ASP A 50 -3.370 11.260 -2.645 1.00 0.00 C ATOM 784 CG ASP A 50 -4.738 11.944 -2.697 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.797 13.071 -3.158 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.702 11.328 -2.274 1.00 0.00 O ATOM 0 H ASP A 50 -0.612 11.293 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.790 13.162 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.011 11.064 -3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.453 10.296 -2.144 1.00 0.00 H new ATOM 791 N LEU A 51 -1.186 10.716 -0.354 1.00 0.00 N ATOM 792 CA LEU A 51 -0.894 10.141 0.989 1.00 0.00 C ATOM 793 C LEU A 51 -0.132 11.177 1.819 1.00 0.00 C ATOM 794 O LEU A 51 0.472 12.086 1.286 1.00 0.00 O ATOM 795 CB LEU A 51 -0.038 8.879 0.833 1.00 0.00 C ATOM 796 CG LEU A 51 -0.171 8.009 2.083 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.068 6.807 1.776 1.00 0.00 C ATOM 798 CD2 LEU A 51 1.212 7.516 2.511 1.00 0.00 C ATOM 0 H LEU A 51 -0.598 10.368 -1.111 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.827 9.881 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.355 8.319 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.006 9.153 0.678 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.613 8.596 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.163 6.187 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.054 7.157 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.627 6.220 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.117 6.896 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.654 6.929 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.851 8.371 2.730 1.00 0.00 H new ATOM 810 N ASN A 52 -0.155 11.052 3.118 1.00 0.00 N ATOM 811 CA ASN A 52 0.569 12.037 3.972 1.00 0.00 C ATOM 812 C ASN A 52 2.023 11.593 4.158 1.00 0.00 C ATOM 813 O ASN A 52 2.622 11.819 5.191 1.00 0.00 O ATOM 814 CB ASN A 52 -0.114 12.124 5.338 1.00 0.00 C ATOM 815 CG ASN A 52 -0.982 13.384 5.393 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.473 14.486 5.430 1.00 0.00 O ATOM 817 ND2 ASN A 52 -2.283 13.266 5.400 1.00 0.00 N ATOM 0 H ASN A 52 -0.642 10.313 3.624 1.00 0.00 H new ATOM 0 HA ASN A 52 0.550 13.014 3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.727 11.239 5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.634 12.150 6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.870 14.099 5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.711 12.341 5.369 1.00 0.00 H new ATOM 824 N ALA A 53 2.599 10.968 3.167 1.00 0.00 N ATOM 825 CA ALA A 53 4.013 10.519 3.293 1.00 0.00 C ATOM 826 C ALA A 53 4.913 11.740 3.498 1.00 0.00 C ATOM 827 O ALA A 53 4.743 12.760 2.862 1.00 0.00 O ATOM 828 CB ALA A 53 4.431 9.789 2.014 1.00 0.00 C ATOM 0 H ALA A 53 2.151 10.750 2.277 1.00 0.00 H new ATOM 0 HA ALA A 53 4.109 9.845 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.466 9.460 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.787 8.923 1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.338 10.464 1.163 1.00 0.00 H new ATOM 834 N ALA A 54 5.868 11.644 4.381 1.00 0.00 N ATOM 835 CA ALA A 54 6.773 12.803 4.623 1.00 0.00 C ATOM 836 C ALA A 54 8.009 12.681 3.728 1.00 0.00 C ATOM 837 O ALA A 54 8.854 13.554 3.701 1.00 0.00 O ATOM 838 CB ALA A 54 7.204 12.817 6.091 1.00 0.00 C ATOM 0 H ALA A 54 6.061 10.816 4.944 1.00 0.00 H new ATOM 0 HA ALA A 54 6.247 13.729 4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.866 13.665 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.324 12.905 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.730 11.891 6.325 1.00 0.00 H new ATOM 844 N SER A 55 8.123 11.607 2.993 1.00 0.00 N ATOM 845 CA SER A 55 9.305 11.441 2.104 1.00 0.00 C ATOM 846 C SER A 55 9.299 10.037 1.496 1.00 0.00 C ATOM 847 O SER A 55 8.657 9.134 1.997 1.00 0.00 O ATOM 848 CB SER A 55 10.584 11.638 2.918 1.00 0.00 C ATOM 849 OG SER A 55 11.241 12.820 2.480 1.00 0.00 O ATOM 0 H SER A 55 7.450 10.841 2.971 1.00 0.00 H new ATOM 0 HA SER A 55 9.263 12.180 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.346 11.712 3.979 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.241 10.777 2.798 1.00 0.00 H new ATOM 0 HG SER A 55 10.704 13.603 2.725 1.00 0.00 H new ATOM 855 N ILE A 56 10.009 9.848 0.418 1.00 0.00 N ATOM 856 CA ILE A 56 10.050 8.507 -0.228 1.00 0.00 C ATOM 857 C ILE A 56 10.248 7.428 0.839 1.00 0.00 C ATOM 858 O ILE A 56 9.332 6.708 1.184 1.00 0.00 O ATOM 859 CB ILE A 56 11.210 8.462 -1.224 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.913 9.407 -2.391 1.00 0.00 C ATOM 861 CG2 ILE A 56 11.379 7.035 -1.754 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.527 9.098 -2.959 1.00 0.00 C ATOM 0 H ILE A 56 10.564 10.568 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 56 9.111 8.326 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 56 12.128 8.773 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.957 10.443 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.670 9.292 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.206 7.006 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.589 6.361 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.462 6.721 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.316 9.771 -3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.500 8.067 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.776 9.235 -2.181 1.00 0.00 H new ATOM 874 N GLU A 57 11.436 7.310 1.364 1.00 0.00 N ATOM 875 CA GLU A 57 11.692 6.277 2.407 1.00 0.00 C ATOM 876 C GLU A 57 10.653 6.409 3.524 1.00 0.00 C ATOM 877 O GLU A 57 10.258 5.436 4.136 1.00 0.00 O ATOM 878 CB GLU A 57 13.092 6.478 2.990 1.00 0.00 C ATOM 879 CG GLU A 57 13.195 7.876 3.601 1.00 0.00 C ATOM 880 CD GLU A 57 14.667 8.231 3.821 1.00 0.00 C ATOM 881 OE1 GLU A 57 15.467 7.315 3.927 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.969 9.412 3.879 1.00 0.00 O ATOM 0 H GLU A 57 12.241 7.885 1.116 1.00 0.00 H new ATOM 0 HA GLU A 57 11.621 5.285 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.293 5.722 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.843 6.354 2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.728 8.608 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.656 7.911 4.548 1.00 0.00 H new ATOM 889 N ALA A 58 10.211 7.606 3.794 1.00 0.00 N ATOM 890 CA ALA A 58 9.201 7.802 4.870 1.00 0.00 C ATOM 891 C ALA A 58 7.867 7.188 4.439 1.00 0.00 C ATOM 892 O ALA A 58 7.176 6.569 5.223 1.00 0.00 O ATOM 893 CB ALA A 58 9.013 9.300 5.125 1.00 0.00 C ATOM 0 H ALA A 58 10.506 8.457 3.315 1.00 0.00 H new ATOM 0 HA ALA A 58 9.545 7.316 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.274 9.445 5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.962 9.739 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.669 9.784 4.211 1.00 0.00 H new ATOM 899 N ALA A 59 7.500 7.360 3.198 1.00 0.00 N ATOM 900 CA ALA A 59 6.209 6.793 2.716 1.00 0.00 C ATOM 901 C ALA A 59 6.227 5.273 2.850 1.00 0.00 C ATOM 902 O ALA A 59 5.314 4.673 3.379 1.00 0.00 O ATOM 903 CB ALA A 59 6.000 7.171 1.248 1.00 0.00 C ATOM 0 H ALA A 59 8.039 7.869 2.497 1.00 0.00 H new ATOM 0 HA ALA A 59 5.395 7.198 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.056 6.756 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.978 8.256 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.818 6.770 0.649 1.00 0.00 H new ATOM 909 N MET A 60 7.259 4.651 2.368 1.00 0.00 N ATOM 910 CA MET A 60 7.348 3.166 2.453 1.00 0.00 C ATOM 911 C MET A 60 7.302 2.732 3.919 1.00 0.00 C ATOM 912 O MET A 60 6.756 1.700 4.253 1.00 0.00 O ATOM 913 CB MET A 60 8.658 2.691 1.818 1.00 0.00 C ATOM 914 CG MET A 60 9.839 3.409 2.473 1.00 0.00 C ATOM 915 SD MET A 60 11.347 2.439 2.219 1.00 0.00 S ATOM 916 CE MET A 60 11.028 1.963 0.502 1.00 0.00 C ATOM 0 H MET A 60 8.052 5.106 1.915 1.00 0.00 H new ATOM 0 HA MET A 60 6.507 2.724 1.919 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.762 1.613 1.940 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.647 2.891 0.747 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.957 4.404 2.045 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.653 3.541 3.539 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.960 1.650 0.032 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.316 1.138 0.479 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.616 2.814 -0.041 1.00 0.00 H new ATOM 926 N ARG A 61 7.862 3.516 4.798 1.00 0.00 N ATOM 927 CA ARG A 61 7.839 3.147 6.239 1.00 0.00 C ATOM 928 C ARG A 61 6.385 3.016 6.698 1.00 0.00 C ATOM 929 O ARG A 61 5.935 1.953 7.077 1.00 0.00 O ATOM 930 CB ARG A 61 8.541 4.233 7.054 1.00 0.00 C ATOM 931 CG ARG A 61 9.356 3.589 8.176 1.00 0.00 C ATOM 932 CD ARG A 61 8.599 3.719 9.497 1.00 0.00 C ATOM 933 NE ARG A 61 9.402 4.531 10.452 1.00 0.00 N ATOM 934 CZ ARG A 61 9.095 4.540 11.721 1.00 0.00 C ATOM 935 NH1 ARG A 61 8.109 5.280 12.148 1.00 0.00 N ATOM 936 NH2 ARG A 61 9.777 3.810 12.560 1.00 0.00 N ATOM 0 H ARG A 61 8.333 4.394 4.581 1.00 0.00 H new ATOM 0 HA ARG A 61 8.356 2.199 6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.194 4.821 6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.805 4.919 7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.537 2.538 7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.331 4.071 8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.630 4.189 9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.405 2.732 9.916 1.00 0.00 H new ATOM 0 HE ARG A 61 10.192 5.081 10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.578 5.851 11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.869 5.287 13.139 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.549 3.234 12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.539 3.816 13.552 1.00 0.00 H new ATOM 950 N MET A 62 5.646 4.090 6.661 1.00 0.00 N ATOM 951 CA MET A 62 4.219 4.029 7.085 1.00 0.00 C ATOM 952 C MET A 62 3.419 3.227 6.055 1.00 0.00 C ATOM 953 O MET A 62 2.471 2.544 6.387 1.00 0.00 O ATOM 954 CB MET A 62 3.654 5.450 7.179 1.00 0.00 C ATOM 955 CG MET A 62 2.141 5.384 7.384 1.00 0.00 C ATOM 956 SD MET A 62 1.305 6.042 5.920 1.00 0.00 S ATOM 957 CE MET A 62 2.226 7.597 5.812 1.00 0.00 C ATOM 0 H MET A 62 5.969 5.008 6.355 1.00 0.00 H new ATOM 0 HA MET A 62 4.147 3.546 8.059 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.121 5.984 8.006 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.885 6.005 6.270 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.832 4.354 7.560 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.857 5.957 8.266 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.561 8.391 5.473 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.625 7.852 6.794 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.047 7.485 5.104 1.00 0.00 H new ATOM 967 N ILE A 63 3.796 3.305 4.808 1.00 0.00 N ATOM 968 CA ILE A 63 3.062 2.550 3.753 1.00 0.00 C ATOM 969 C ILE A 63 3.163 1.046 4.037 1.00 0.00 C ATOM 970 O ILE A 63 2.175 0.341 4.052 1.00 0.00 O ATOM 971 CB ILE A 63 3.676 2.863 2.381 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.176 4.227 1.896 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.269 1.791 1.365 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.671 4.153 1.627 1.00 0.00 C ATOM 0 H ILE A 63 4.583 3.861 4.473 1.00 0.00 H new ATOM 0 HA ILE A 63 2.013 2.846 3.754 1.00 0.00 H new ATOM 0 HB ILE A 63 4.762 2.877 2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.385 4.990 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.705 4.518 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.710 2.023 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.624 0.817 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.183 1.770 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.315 5.124 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.475 3.402 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.150 3.881 2.545 1.00 0.00 H new ATOM 986 N GLU A 64 4.351 0.552 4.255 1.00 0.00 N ATOM 987 CA GLU A 64 4.512 -0.904 4.529 1.00 0.00 C ATOM 988 C GLU A 64 3.746 -1.280 5.800 1.00 0.00 C ATOM 989 O GLU A 64 2.807 -2.050 5.764 1.00 0.00 O ATOM 990 CB GLU A 64 5.996 -1.225 4.714 1.00 0.00 C ATOM 991 CG GLU A 64 6.222 -2.725 4.511 1.00 0.00 C ATOM 992 CD GLU A 64 5.917 -3.470 5.810 1.00 0.00 C ATOM 993 OE1 GLU A 64 6.076 -2.873 6.863 1.00 0.00 O ATOM 994 OE2 GLU A 64 5.528 -4.623 5.732 1.00 0.00 O ATOM 0 H GLU A 64 5.216 1.093 4.255 1.00 0.00 H new ATOM 0 HA GLU A 64 4.116 -1.475 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.594 -0.657 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.322 -0.929 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.582 -3.094 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.252 -2.910 4.207 1.00 0.00 H new ATOM 1001 N GLY A 65 4.141 -0.745 6.924 1.00 0.00 N ATOM 1002 CA GLY A 65 3.439 -1.075 8.198 1.00 0.00 C ATOM 1003 C GLY A 65 1.926 -1.075 7.967 1.00 0.00 C ATOM 1004 O GLY A 65 1.188 -1.779 8.629 1.00 0.00 O ATOM 0 H GLY A 65 4.920 -0.093 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.762 -2.051 8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.699 -0.348 8.967 1.00 0.00 H new ATOM 1008 N THR A 66 1.459 -0.296 7.032 1.00 0.00 N ATOM 1009 CA THR A 66 -0.005 -0.253 6.759 1.00 0.00 C ATOM 1010 C THR A 66 -0.431 -1.540 6.050 1.00 0.00 C ATOM 1011 O THR A 66 -1.352 -2.213 6.466 1.00 0.00 O ATOM 1012 CB THR A 66 -0.319 0.949 5.865 1.00 0.00 C ATOM 1013 OG1 THR A 66 0.063 2.144 6.532 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.818 0.988 5.563 1.00 0.00 C ATOM 0 H THR A 66 2.028 0.313 6.444 1.00 0.00 H new ATOM 0 HA THR A 66 -0.548 -0.161 7.700 1.00 0.00 H new ATOM 0 HB THR A 66 0.234 0.860 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.036 2.157 6.649 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.039 1.845 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.110 0.071 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.375 1.076 6.496 1.00 0.00 H new ATOM 1022 N ALA A 67 0.232 -1.887 4.980 1.00 0.00 N ATOM 1023 CA ALA A 67 -0.138 -3.128 4.244 1.00 0.00 C ATOM 1024 C ALA A 67 -0.096 -4.327 5.192 1.00 0.00 C ATOM 1025 O ALA A 67 -0.781 -5.311 4.993 1.00 0.00 O ATOM 1026 CB ALA A 67 0.852 -3.356 3.102 1.00 0.00 C ATOM 0 H ALA A 67 1.014 -1.364 4.584 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.146 -3.019 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.582 -4.264 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.823 -2.506 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.858 -3.461 3.508 1.00 0.00 H new ATOM 1032 N ARG A 68 0.703 -4.261 6.223 1.00 0.00 N ATOM 1033 CA ARG A 68 0.783 -5.405 7.172 1.00 0.00 C ATOM 1034 C ARG A 68 -0.607 -5.684 7.746 1.00 0.00 C ATOM 1035 O ARG A 68 -0.915 -6.789 8.140 1.00 0.00 O ATOM 1036 CB ARG A 68 1.748 -5.062 8.310 1.00 0.00 C ATOM 1037 CG ARG A 68 1.691 -6.159 9.376 1.00 0.00 C ATOM 1038 CD ARG A 68 2.372 -5.667 10.654 1.00 0.00 C ATOM 1039 NE ARG A 68 1.349 -5.095 11.575 1.00 0.00 N ATOM 1040 CZ ARG A 68 1.698 -4.678 12.761 1.00 0.00 C ATOM 1041 NH1 ARG A 68 2.470 -5.415 13.513 1.00 0.00 N ATOM 1042 NH2 ARG A 68 1.276 -3.521 13.197 1.00 0.00 N ATOM 0 H ARG A 68 1.302 -3.466 6.447 1.00 0.00 H new ATOM 0 HA ARG A 68 1.145 -6.289 6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.763 -4.967 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.483 -4.100 8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.655 -6.425 9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.185 -7.060 9.012 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.894 -6.491 11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.121 -4.913 10.412 1.00 0.00 H new ATOM 0 HE ARG A 68 0.375 -5.030 11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.801 -6.318 13.173 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.742 -5.088 14.440 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.674 -2.944 12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.549 -3.195 14.124 1.00 0.00 H new ATOM 1056 N SER A 69 -1.449 -4.689 7.791 1.00 0.00 N ATOM 1057 CA SER A 69 -2.819 -4.898 8.334 1.00 0.00 C ATOM 1058 C SER A 69 -3.673 -5.625 7.293 1.00 0.00 C ATOM 1059 O SER A 69 -4.839 -5.894 7.510 1.00 0.00 O ATOM 1060 CB SER A 69 -3.451 -3.544 8.654 1.00 0.00 C ATOM 1061 OG SER A 69 -2.446 -2.655 9.119 1.00 0.00 O ATOM 0 H SER A 69 -1.247 -3.740 7.475 1.00 0.00 H new ATOM 0 HA SER A 69 -2.763 -5.497 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.932 -3.135 7.765 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.227 -3.662 9.410 1.00 0.00 H new ATOM 0 HG SER A 69 -2.010 -2.225 8.354 1.00 0.00 H new ATOM 1067 N MET A 70 -3.105 -5.945 6.162 1.00 0.00 N ATOM 1068 CA MET A 70 -3.886 -6.652 5.108 1.00 0.00 C ATOM 1069 C MET A 70 -3.189 -7.957 4.741 1.00 0.00 C ATOM 1070 O MET A 70 -3.808 -8.998 4.639 1.00 0.00 O ATOM 1071 CB MET A 70 -3.965 -5.778 3.861 1.00 0.00 C ATOM 1072 CG MET A 70 -4.793 -4.527 4.160 1.00 0.00 C ATOM 1073 SD MET A 70 -6.516 -5.000 4.448 1.00 0.00 S ATOM 1074 CE MET A 70 -7.272 -3.436 3.942 1.00 0.00 C ATOM 0 H MET A 70 -2.133 -5.747 5.923 1.00 0.00 H new ATOM 0 HA MET A 70 -4.887 -6.858 5.486 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.963 -5.494 3.540 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.416 -6.337 3.041 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.394 -4.014 5.035 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.731 -3.828 3.326 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.355 -3.551 3.906 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.013 -2.658 4.660 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.903 -3.156 2.955 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.904 -7.910 4.536 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.171 -9.150 4.167 1.00 0.00 C ATOM 1086 C GLY A 71 -0.132 -8.849 3.080 1.00 0.00 C ATOM 1087 O GLY A 71 0.570 -9.731 2.623 1.00 0.00 O ATOM 0 H GLY A 71 -1.331 -7.069 4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.678 -9.565 5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.873 -9.903 3.810 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.024 -7.616 2.663 1.00 0.00 N ATOM 1092 CA ILE A 72 0.973 -7.270 1.613 1.00 0.00 C ATOM 1093 C ILE A 72 2.300 -6.906 2.279 1.00 0.00 C ATOM 1094 O ILE A 72 2.578 -5.754 2.542 1.00 0.00 O ATOM 1095 CB ILE A 72 0.469 -6.074 0.802 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -1.041 -6.204 0.577 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.183 -6.039 -0.549 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.755 -5.007 1.210 1.00 0.00 C ATOM 0 H ILE A 72 -0.584 -6.835 3.005 1.00 0.00 H new ATOM 0 HA ILE A 72 1.115 -8.124 0.950 1.00 0.00 H new ATOM 0 HB ILE A 72 0.675 -5.154 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.258 -6.248 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.406 -7.133 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.825 -5.188 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.257 -5.944 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.977 -6.960 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.829 -5.098 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.548 -4.984 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.397 -4.085 0.751 1.00 0.00 H new ATOM 1110 N VAL A 73 3.124 -7.876 2.558 1.00 0.00 N ATOM 1111 CA VAL A 73 4.426 -7.578 3.209 1.00 0.00 C ATOM 1112 C VAL A 73 5.368 -6.953 2.184 1.00 0.00 C ATOM 1113 O VAL A 73 5.201 -7.115 0.992 1.00 0.00 O ATOM 1114 CB VAL A 73 5.032 -8.873 3.749 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.401 -8.582 4.363 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.104 -9.450 4.820 1.00 0.00 C ATOM 0 H VAL A 73 2.951 -8.862 2.363 1.00 0.00 H new ATOM 0 HA VAL A 73 4.276 -6.882 4.034 1.00 0.00 H new ATOM 0 HB VAL A 73 5.148 -9.590 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.831 -9.507 4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.060 -8.164 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.290 -7.867 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.529 -10.374 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.993 -8.731 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.127 -9.657 4.382 1.00 0.00 H new ATOM 1126 N VAL A 74 6.358 -6.238 2.636 1.00 0.00 N ATOM 1127 CA VAL A 74 7.304 -5.605 1.678 1.00 0.00 C ATOM 1128 C VAL A 74 8.713 -5.589 2.268 1.00 0.00 C ATOM 1129 O VAL A 74 8.918 -5.235 3.412 1.00 0.00 O ATOM 1130 CB VAL A 74 6.857 -4.173 1.385 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.597 -3.652 0.152 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.350 -4.153 1.123 1.00 0.00 C ATOM 0 H VAL A 74 6.553 -6.065 3.622 1.00 0.00 H new ATOM 0 HA VAL A 74 7.311 -6.181 0.753 1.00 0.00 H new ATOM 0 HB VAL A 74 7.085 -3.538 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.279 -2.631 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.671 -3.667 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.369 -4.287 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.031 -3.132 0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.121 -4.787 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.823 -4.525 2.001 1.00 0.00 H new ATOM 1142 N GLU A 75 9.687 -5.970 1.487 1.00 0.00 N ATOM 1143 CA GLU A 75 11.089 -5.978 1.986 1.00 0.00 C ATOM 1144 C GLU A 75 11.860 -4.826 1.339 1.00 0.00 C ATOM 1145 O GLU A 75 11.536 -4.384 0.254 1.00 0.00 O ATOM 1146 CB GLU A 75 11.750 -7.307 1.618 1.00 0.00 C ATOM 1147 CG GLU A 75 12.137 -8.057 2.894 1.00 0.00 C ATOM 1148 CD GLU A 75 12.750 -9.409 2.526 1.00 0.00 C ATOM 1149 OE1 GLU A 75 13.530 -9.448 1.588 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.427 -10.384 3.185 1.00 0.00 O ATOM 0 H GLU A 75 9.570 -6.277 0.521 1.00 0.00 H new ATOM 0 HA GLU A 75 11.095 -5.858 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.067 -7.912 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.634 -7.128 1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.849 -7.468 3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.259 -8.203 3.523 1.00 0.00 H new ATOM 1157 N ASP A 76 12.875 -4.335 1.994 1.00 0.00 N ATOM 1158 CA ASP A 76 13.662 -3.213 1.412 1.00 0.00 C ATOM 1159 C ASP A 76 14.566 -3.746 0.299 1.00 0.00 C ATOM 1160 O ASP A 76 14.731 -4.953 0.222 1.00 0.00 O ATOM 1161 CB ASP A 76 14.520 -2.572 2.505 1.00 0.00 C ATOM 1162 CG ASP A 76 15.388 -3.643 3.166 1.00 0.00 C ATOM 1163 OD1 ASP A 76 16.472 -3.894 2.663 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.955 -4.197 4.164 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.079 -2.938 -0.458 1.00 0.00 O ATOM 0 H ASP A 76 13.193 -4.662 2.906 1.00 0.00 H new ATOM 0 HA ASP A 76 12.982 -2.467 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.149 -1.792 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.883 -2.095 3.249 1.00 0.00 H new