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 146:sc= -1.47 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 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.904 (180deg=-0.0234) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0452 K(o=-0.045,f=-2.3!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.421 USER MOD Single : A 60 MET CE :methyl -124:sc= -7.19! (180deg=-13.4!) USER MOD Single : A 62 MET CE :methyl 179:sc= 0 (180deg=-0.000653) USER MOD Single : A 66 THR OG1 : rot 119:sc= 1.23 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 174:sc= -1.89 (180deg=-2.17) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.203 8.773 -6.044 1.00 0.00 N ATOM 110 CA THR A 7 -5.616 7.485 -5.588 1.00 0.00 C ATOM 111 C THR A 7 -6.278 7.047 -4.277 1.00 0.00 C ATOM 112 O THR A 7 -6.662 7.872 -3.472 1.00 0.00 O ATOM 113 CB THR A 7 -4.115 7.672 -5.352 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.603 6.554 -4.641 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.883 8.946 -4.540 1.00 0.00 C ATOM 0 HA THR A 7 -5.783 6.724 -6.350 1.00 0.00 H new ATOM 0 HB THR A 7 -3.603 7.755 -6.311 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.687 6.370 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.815 9.080 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.274 9.803 -5.088 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.394 8.864 -3.581 1.00 0.00 H new ATOM 123 N PRO A 8 -6.378 5.755 -4.100 1.00 0.00 N ATOM 124 CA PRO A 8 -6.969 5.160 -2.889 1.00 0.00 C ATOM 125 C PRO A 8 -5.959 5.229 -1.739 1.00 0.00 C ATOM 126 O PRO A 8 -4.844 5.671 -1.930 1.00 0.00 O ATOM 127 CB PRO A 8 -7.248 3.709 -3.304 1.00 0.00 C ATOM 128 CG PRO A 8 -6.309 3.407 -4.494 1.00 0.00 C ATOM 129 CD PRO A 8 -5.905 4.767 -5.092 1.00 0.00 C ATOM 0 HA PRO A 8 -7.868 5.668 -2.539 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.059 3.025 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.292 3.581 -3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.431 2.853 -4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.813 2.791 -5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.827 4.834 -5.237 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.368 4.927 -6.066 1.00 0.00 H new ATOM 137 N PRO A 9 -6.371 4.788 -0.579 1.00 0.00 N ATOM 138 CA PRO A 9 -5.505 4.792 0.612 1.00 0.00 C ATOM 139 C PRO A 9 -4.451 3.686 0.504 1.00 0.00 C ATOM 140 O PRO A 9 -4.695 2.633 -0.051 1.00 0.00 O ATOM 141 CB PRO A 9 -6.476 4.537 1.768 1.00 0.00 C ATOM 142 CG PRO A 9 -7.722 3.863 1.147 1.00 0.00 C ATOM 143 CD PRO A 9 -7.727 4.245 -0.345 1.00 0.00 C ATOM 0 HA PRO A 9 -4.949 5.720 0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.022 3.895 2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.745 5.470 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.680 2.781 1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.633 4.205 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.925 3.380 -0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.497 4.985 -0.565 1.00 0.00 H new ATOM 151 N ALA A 10 -3.274 3.931 1.017 1.00 0.00 N ATOM 152 CA ALA A 10 -2.187 2.912 0.939 1.00 0.00 C ATOM 153 C ALA A 10 -2.756 1.511 1.181 1.00 0.00 C ATOM 154 O ALA A 10 -2.751 0.672 0.306 1.00 0.00 O ATOM 155 CB ALA A 10 -1.127 3.221 1.997 1.00 0.00 C ATOM 0 H ALA A 10 -3.018 4.798 1.489 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.739 2.945 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.331 2.478 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.711 4.212 1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.582 3.193 2.987 1.00 0.00 H new ATOM 161 N ALA A 11 -3.241 1.251 2.366 1.00 0.00 N ATOM 162 CA ALA A 11 -3.802 -0.097 2.661 1.00 0.00 C ATOM 163 C ALA A 11 -4.659 -0.575 1.485 1.00 0.00 C ATOM 164 O ALA A 11 -4.324 -1.527 0.808 1.00 0.00 O ATOM 165 CB ALA A 11 -4.666 -0.022 3.921 1.00 0.00 C ATOM 0 H ALA A 11 -3.272 1.914 3.141 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.983 -0.800 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.078 -1.007 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.056 0.310 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.481 0.685 3.762 1.00 0.00 H new ATOM 171 N VAL A 12 -5.765 0.071 1.243 1.00 0.00 N ATOM 172 CA VAL A 12 -6.647 -0.349 0.118 1.00 0.00 C ATOM 173 C VAL A 12 -5.843 -0.406 -1.185 1.00 0.00 C ATOM 174 O VAL A 12 -5.919 -1.365 -1.927 1.00 0.00 O ATOM 175 CB VAL A 12 -7.792 0.655 -0.033 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.663 0.263 -1.229 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.643 0.648 1.240 1.00 0.00 C ATOM 0 H VAL A 12 -6.097 0.874 1.777 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.052 -1.338 0.331 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.382 1.652 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.478 0.979 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.058 0.264 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.074 -0.734 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.460 1.362 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.052 -0.350 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.024 0.927 2.093 1.00 0.00 H new ATOM 187 N LEU A 13 -5.077 0.612 -1.476 1.00 0.00 N ATOM 188 CA LEU A 13 -4.281 0.605 -2.737 1.00 0.00 C ATOM 189 C LEU A 13 -3.367 -0.617 -2.764 1.00 0.00 C ATOM 190 O LEU A 13 -3.212 -1.266 -3.776 1.00 0.00 O ATOM 191 CB LEU A 13 -3.433 1.873 -2.820 1.00 0.00 C ATOM 192 CG LEU A 13 -2.618 1.862 -4.114 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.592 3.269 -4.714 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.188 1.410 -3.809 1.00 0.00 C ATOM 0 H LEU A 13 -4.969 1.445 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.962 0.568 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.074 2.754 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.767 1.934 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.074 1.174 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.011 3.261 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.611 3.591 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.136 3.959 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.605 1.401 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.733 2.099 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.207 0.407 -3.382 1.00 0.00 H new ATOM 206 N LEU A 14 -2.770 -0.937 -1.655 1.00 0.00 N ATOM 207 CA LEU A 14 -1.871 -2.122 -1.615 1.00 0.00 C ATOM 208 C LEU A 14 -2.711 -3.376 -1.841 1.00 0.00 C ATOM 209 O LEU A 14 -2.374 -4.223 -2.646 1.00 0.00 O ATOM 210 CB LEU A 14 -1.187 -2.209 -0.248 1.00 0.00 C ATOM 211 CG LEU A 14 -0.137 -1.104 -0.127 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.005 -0.696 1.340 1.00 0.00 C ATOM 213 CD2 LEU A 14 1.209 -1.622 -0.642 1.00 0.00 C ATOM 0 H LEU A 14 -2.864 -0.431 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.108 -2.034 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.927 -2.110 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.718 -3.185 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.447 -0.242 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.753 0.092 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.953 -0.330 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.316 -1.559 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.959 -0.835 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.518 -2.484 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.110 -1.916 -1.687 1.00 0.00 H new ATOM 225 N LYS A 15 -3.810 -3.487 -1.145 1.00 0.00 N ATOM 226 CA LYS A 15 -4.691 -4.674 -1.320 1.00 0.00 C ATOM 227 C LYS A 15 -5.058 -4.799 -2.798 1.00 0.00 C ATOM 228 O LYS A 15 -5.049 -5.869 -3.371 1.00 0.00 O ATOM 229 CB LYS A 15 -5.964 -4.485 -0.493 1.00 0.00 C ATOM 230 CG LYS A 15 -6.907 -5.666 -0.722 1.00 0.00 C ATOM 231 CD LYS A 15 -8.321 -5.278 -0.288 1.00 0.00 C ATOM 232 CE LYS A 15 -9.192 -6.532 -0.203 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.739 -6.663 1.177 1.00 0.00 N ATOM 0 H LYS A 15 -4.135 -2.804 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.175 -5.575 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.714 -4.407 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.457 -3.554 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.903 -5.950 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.566 -6.533 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.291 -4.777 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.750 -4.572 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.007 -6.472 -0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.605 -7.414 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.332 -7.516 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.955 -6.739 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.313 -5.826 1.404 1.00 0.00 H new ATOM 247 N LYS A 16 -5.382 -3.709 -3.424 1.00 0.00 N ATOM 248 CA LYS A 16 -5.739 -3.768 -4.864 1.00 0.00 C ATOM 249 C LYS A 16 -4.479 -4.004 -5.688 1.00 0.00 C ATOM 250 O LYS A 16 -4.402 -4.908 -6.494 1.00 0.00 O ATOM 251 CB LYS A 16 -6.390 -2.448 -5.284 1.00 0.00 C ATOM 252 CG LYS A 16 -7.457 -2.717 -6.345 1.00 0.00 C ATOM 253 CD LYS A 16 -8.602 -1.715 -6.181 1.00 0.00 C ATOM 254 CE LYS A 16 -9.882 -2.459 -5.793 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.518 -1.782 -4.628 1.00 0.00 N ATOM 0 H LYS A 16 -5.416 -2.781 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.441 -4.585 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.838 -1.960 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.635 -1.768 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.024 -2.631 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.834 -3.735 -6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.350 -0.981 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.755 -1.167 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.573 -2.480 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.652 -3.495 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.388 -2.288 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.859 -1.784 -3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.752 -0.801 -4.882 1.00 0.00 H new ATOM 269 N ALA A 17 -3.500 -3.179 -5.493 1.00 0.00 N ATOM 270 CA ALA A 17 -2.230 -3.317 -6.264 1.00 0.00 C ATOM 271 C ALA A 17 -1.522 -4.634 -5.920 1.00 0.00 C ATOM 272 O ALA A 17 -1.622 -5.610 -6.636 1.00 0.00 O ATOM 273 CB ALA A 17 -1.303 -2.146 -5.935 1.00 0.00 C ATOM 0 H ALA A 17 -3.518 -2.406 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.471 -3.317 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.375 -2.247 -6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.791 -1.209 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.081 -2.146 -4.868 1.00 0.00 H new ATOM 279 N ALA A 18 -0.781 -4.654 -4.844 1.00 0.00 N ATOM 280 CA ALA A 18 -0.033 -5.890 -4.467 1.00 0.00 C ATOM 281 C ALA A 18 -0.937 -6.879 -3.734 1.00 0.00 C ATOM 282 O ALA A 18 -0.534 -7.984 -3.427 1.00 0.00 O ATOM 283 CB ALA A 18 1.139 -5.513 -3.562 1.00 0.00 C ATOM 0 H ALA A 18 -0.661 -3.866 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 18 0.329 -6.365 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.688 -6.413 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.804 -4.831 -4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.762 -5.026 -2.663 1.00 0.00 H new ATOM 289 N GLY A 19 -2.148 -6.505 -3.439 1.00 0.00 N ATOM 290 CA GLY A 19 -3.049 -7.449 -2.718 1.00 0.00 C ATOM 291 C GLY A 19 -3.712 -8.398 -3.714 1.00 0.00 C ATOM 292 O GLY A 19 -4.639 -9.105 -3.377 1.00 0.00 O ATOM 0 H GLY A 19 -2.552 -5.596 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.480 -8.019 -1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.810 -6.893 -2.171 1.00 0.00 H new ATOM 447 N LYS A 31 -0.426 -13.201 5.701 1.00 0.00 N ATOM 448 CA LYS A 31 0.044 -12.437 4.512 1.00 0.00 C ATOM 449 C LYS A 31 -0.237 -13.247 3.246 1.00 0.00 C ATOM 450 O LYS A 31 -0.011 -14.441 3.200 1.00 0.00 O ATOM 451 CB LYS A 31 1.549 -12.181 4.627 1.00 0.00 C ATOM 452 CG LYS A 31 1.886 -11.707 6.042 1.00 0.00 C ATOM 453 CD LYS A 31 3.132 -12.440 6.543 1.00 0.00 C ATOM 454 CE LYS A 31 2.714 -13.703 7.297 1.00 0.00 C ATOM 455 NZ LYS A 31 3.292 -14.899 6.620 1.00 0.00 N ATOM 0 HA LYS A 31 -0.483 -11.484 4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.101 -13.092 4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.856 -11.430 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.059 -10.631 6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.046 -11.897 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.775 -12.702 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.711 -11.788 7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.059 -13.654 8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.627 -13.779 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.008 -15.759 7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.942 -14.947 5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.329 -14.827 6.613 1.00 0.00 H new ATOM 469 N VAL A 32 -0.724 -12.613 2.216 1.00 0.00 N ATOM 470 CA VAL A 32 -1.011 -13.356 0.958 1.00 0.00 C ATOM 471 C VAL A 32 -0.351 -12.648 -0.226 1.00 0.00 C ATOM 472 O VAL A 32 -0.436 -13.092 -1.353 1.00 0.00 O ATOM 473 CB VAL A 32 -2.525 -13.431 0.735 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.149 -14.370 1.768 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.135 -12.035 0.884 1.00 0.00 C ATOM 0 H VAL A 32 -0.935 -11.615 2.191 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.609 -14.366 1.041 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.723 -13.810 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.226 -14.422 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.718 -15.365 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.949 -13.992 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.212 -12.090 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.935 -11.656 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.693 -11.364 0.147 1.00 0.00 H new ATOM 485 N ALA A 33 0.305 -11.548 0.018 1.00 0.00 N ATOM 486 CA ALA A 33 0.965 -10.817 -1.104 1.00 0.00 C ATOM 487 C ALA A 33 2.293 -10.209 -0.634 1.00 0.00 C ATOM 488 O ALA A 33 2.328 -9.133 -0.077 1.00 0.00 O ATOM 489 CB ALA A 33 0.041 -9.701 -1.590 1.00 0.00 C ATOM 0 H ALA A 33 0.413 -11.124 0.939 1.00 0.00 H new ATOM 0 HA ALA A 33 1.164 -11.516 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.519 -9.164 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.898 -10.132 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.157 -9.010 -0.771 1.00 0.00 H new ATOM 495 N THR A 34 3.386 -10.881 -0.873 1.00 0.00 N ATOM 496 CA THR A 34 4.705 -10.325 -0.450 1.00 0.00 C ATOM 497 C THR A 34 5.372 -9.667 -1.660 1.00 0.00 C ATOM 498 O THR A 34 5.366 -10.204 -2.750 1.00 0.00 O ATOM 499 CB THR A 34 5.593 -11.454 0.081 1.00 0.00 C ATOM 500 OG1 THR A 34 4.778 -12.544 0.486 1.00 0.00 O ATOM 501 CG2 THR A 34 6.407 -10.953 1.274 1.00 0.00 C ATOM 0 H THR A 34 3.424 -11.787 -1.341 1.00 0.00 H new ATOM 0 HA THR A 34 4.562 -9.587 0.339 1.00 0.00 H new ATOM 0 HB THR A 34 6.273 -11.780 -0.706 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.345 -13.268 0.825 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.037 -11.759 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.034 -10.118 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.731 -10.624 2.063 1.00 0.00 H new ATOM 509 N ILE A 35 5.931 -8.500 -1.484 1.00 0.00 N ATOM 510 CA ILE A 35 6.577 -7.806 -2.635 1.00 0.00 C ATOM 511 C ILE A 35 7.840 -7.085 -2.169 1.00 0.00 C ATOM 512 O ILE A 35 8.036 -6.843 -0.998 1.00 0.00 O ATOM 513 CB ILE A 35 5.602 -6.776 -3.205 1.00 0.00 C ATOM 514 CG1 ILE A 35 5.060 -5.918 -2.057 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.447 -7.498 -3.904 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.840 -5.127 -2.529 1.00 0.00 C ATOM 0 H ILE A 35 5.968 -7.999 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 35 6.841 -8.541 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 35 6.113 -6.140 -3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.788 -6.553 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.833 -5.235 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.752 -6.764 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.839 -8.113 -4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.927 -8.132 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.460 -4.519 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.125 -4.479 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.064 -5.818 -2.858 1.00 0.00 H new ATOM 528 N LYS A 36 8.696 -6.729 -3.081 1.00 0.00 N ATOM 529 CA LYS A 36 9.936 -6.009 -2.689 1.00 0.00 C ATOM 530 C LYS A 36 9.664 -4.501 -2.708 1.00 0.00 C ATOM 531 O LYS A 36 8.529 -4.068 -2.658 1.00 0.00 O ATOM 532 CB LYS A 36 11.057 -6.351 -3.675 1.00 0.00 C ATOM 533 CG LYS A 36 12.104 -7.220 -2.975 1.00 0.00 C ATOM 534 CD LYS A 36 12.997 -7.884 -4.025 1.00 0.00 C ATOM 535 CE LYS A 36 13.050 -9.391 -3.772 1.00 0.00 C ATOM 536 NZ LYS A 36 14.460 -9.806 -3.530 1.00 0.00 N ATOM 0 H LYS A 36 8.591 -6.905 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 36 10.241 -6.310 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.649 -6.878 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.518 -5.437 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.707 -6.611 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.614 -7.979 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.610 -7.686 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.001 -7.462 -3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.432 -9.648 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.644 -9.929 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.496 -10.831 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.038 -9.575 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.832 -9.303 -2.700 1.00 0.00 H new ATOM 550 N ARG A 37 10.689 -3.697 -2.777 1.00 0.00 N ATOM 551 CA ARG A 37 10.479 -2.222 -2.796 1.00 0.00 C ATOM 552 C ARG A 37 9.901 -1.805 -4.148 1.00 0.00 C ATOM 553 O ARG A 37 9.362 -0.728 -4.298 1.00 0.00 O ATOM 554 CB ARG A 37 11.818 -1.515 -2.577 1.00 0.00 C ATOM 555 CG ARG A 37 11.716 -0.586 -1.366 1.00 0.00 C ATOM 556 CD ARG A 37 12.822 -0.931 -0.366 1.00 0.00 C ATOM 557 NE ARG A 37 13.449 0.325 0.132 1.00 0.00 N ATOM 558 CZ ARG A 37 14.667 0.303 0.606 1.00 0.00 C ATOM 559 NH1 ARG A 37 14.995 -0.567 1.521 1.00 0.00 N ATOM 560 NH2 ARG A 37 15.554 1.153 0.164 1.00 0.00 N ATOM 0 H ARG A 37 11.663 -3.998 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 37 9.785 -1.944 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.607 -2.250 -2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.088 -0.943 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.808 0.453 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.739 -0.691 -0.895 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.409 -1.500 0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.573 -1.562 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 37 12.928 1.202 0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.301 -1.230 1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.945 -0.584 1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.296 1.834 -0.551 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.505 1.136 0.533 1.00 0.00 H new ATOM 574 N ASP A 38 10.013 -2.651 -5.129 1.00 0.00 N ATOM 575 CA ASP A 38 9.478 -2.315 -6.481 1.00 0.00 C ATOM 576 C ASP A 38 7.975 -2.034 -6.393 1.00 0.00 C ATOM 577 O ASP A 38 7.447 -1.198 -7.100 1.00 0.00 O ATOM 578 CB ASP A 38 9.722 -3.491 -7.430 1.00 0.00 C ATOM 579 CG ASP A 38 11.211 -3.574 -7.768 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.623 -2.916 -8.709 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.915 -4.298 -7.082 1.00 0.00 O ATOM 0 H ASP A 38 10.454 -3.568 -5.056 1.00 0.00 H new ATOM 0 HA ASP A 38 9.986 -1.427 -6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.391 -4.421 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.138 -3.364 -8.341 1.00 0.00 H new ATOM 586 N LYS A 39 7.279 -2.731 -5.537 1.00 0.00 N ATOM 587 CA LYS A 39 5.810 -2.515 -5.410 1.00 0.00 C ATOM 588 C LYS A 39 5.535 -1.322 -4.505 1.00 0.00 C ATOM 589 O LYS A 39 4.832 -0.400 -4.869 1.00 0.00 O ATOM 590 CB LYS A 39 5.180 -3.748 -4.785 1.00 0.00 C ATOM 591 CG LYS A 39 4.747 -4.722 -5.883 1.00 0.00 C ATOM 592 CD LYS A 39 3.694 -4.055 -6.770 1.00 0.00 C ATOM 593 CE LYS A 39 2.493 -4.991 -6.932 1.00 0.00 C ATOM 594 NZ LYS A 39 2.494 -5.568 -8.307 1.00 0.00 N ATOM 0 H LYS A 39 7.666 -3.443 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 39 5.391 -2.329 -6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.892 -4.232 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.320 -3.461 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.608 -5.018 -6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.341 -5.631 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.376 -3.111 -6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.120 -3.822 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.538 -5.789 -6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.566 -4.445 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.678 -6.204 -8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.431 -4.800 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.373 -6.103 -8.458 1.00 0.00 H new ATOM 608 N VAL A 40 6.092 -1.321 -3.329 1.00 0.00 N ATOM 609 CA VAL A 40 5.863 -0.173 -2.419 1.00 0.00 C ATOM 610 C VAL A 40 6.463 1.061 -3.078 1.00 0.00 C ATOM 611 O VAL A 40 6.167 2.182 -2.719 1.00 0.00 O ATOM 612 CB VAL A 40 6.554 -0.432 -1.078 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.104 0.616 -0.061 1.00 0.00 C ATOM 614 CG2 VAL A 40 6.178 -1.826 -0.573 1.00 0.00 C ATOM 0 H VAL A 40 6.691 -2.060 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 40 4.798 -0.032 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 40 7.634 -0.371 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.596 0.431 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.371 1.610 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.024 0.555 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.669 -2.012 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.097 -1.887 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.499 -2.574 -1.298 1.00 0.00 H new ATOM 624 N ARG A 41 7.291 0.852 -4.066 1.00 0.00 N ATOM 625 CA ARG A 41 7.894 2.010 -4.782 1.00 0.00 C ATOM 626 C ARG A 41 6.832 2.633 -5.686 1.00 0.00 C ATOM 627 O ARG A 41 6.462 3.781 -5.538 1.00 0.00 O ATOM 628 CB ARG A 41 9.072 1.539 -5.636 1.00 0.00 C ATOM 629 CG ARG A 41 10.372 1.684 -4.839 1.00 0.00 C ATOM 630 CD ARG A 41 11.523 1.038 -5.612 1.00 0.00 C ATOM 631 NE ARG A 41 12.780 1.793 -5.353 1.00 0.00 N ATOM 632 CZ ARG A 41 13.937 1.250 -5.619 1.00 0.00 C ATOM 633 NH1 ARG A 41 13.995 0.122 -6.275 1.00 0.00 N ATOM 634 NH2 ARG A 41 15.037 1.833 -5.229 1.00 0.00 N ATOM 0 H ARG A 41 7.574 -0.067 -4.406 1.00 0.00 H new ATOM 0 HA ARG A 41 8.251 2.743 -4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.928 0.500 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.128 2.126 -6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.586 2.738 -4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.266 1.212 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.641 -0.002 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.302 1.034 -6.679 1.00 0.00 H new ATOM 0 HE ARG A 41 12.737 2.736 -4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.136 -0.335 -6.580 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.899 -0.301 -6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.993 2.714 -4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.941 1.408 -5.437 1.00 0.00 H new ATOM 648 N GLU A 42 6.334 1.868 -6.619 1.00 0.00 N ATOM 649 CA GLU A 42 5.286 2.386 -7.541 1.00 0.00 C ATOM 650 C GLU A 42 4.047 2.752 -6.729 1.00 0.00 C ATOM 651 O GLU A 42 3.344 3.696 -7.025 1.00 0.00 O ATOM 652 CB GLU A 42 4.929 1.300 -8.560 1.00 0.00 C ATOM 653 CG GLU A 42 6.129 1.045 -9.477 1.00 0.00 C ATOM 654 CD GLU A 42 6.684 2.378 -9.980 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.898 3.181 -10.462 1.00 0.00 O ATOM 656 OE2 GLU A 42 7.882 2.577 -9.874 1.00 0.00 O ATOM 0 H GLU A 42 6.611 0.900 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 42 5.654 3.268 -8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.650 0.381 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.066 1.610 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.902 0.498 -8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.829 0.423 -10.320 1.00 0.00 H new ATOM 663 N ILE A 43 3.780 1.995 -5.703 1.00 0.00 N ATOM 664 CA ILE A 43 2.593 2.264 -4.847 1.00 0.00 C ATOM 665 C ILE A 43 2.710 3.659 -4.220 1.00 0.00 C ATOM 666 O ILE A 43 1.813 4.472 -4.329 1.00 0.00 O ATOM 667 CB ILE A 43 2.535 1.189 -3.755 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.864 -0.065 -4.321 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.734 1.692 -2.550 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.488 -1.309 -3.688 1.00 0.00 C ATOM 0 H ILE A 43 4.341 1.192 -5.418 1.00 0.00 H new ATOM 0 HA ILE A 43 1.680 2.234 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 43 3.550 0.958 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.793 -0.040 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.983 -0.097 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.703 0.917 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.210 2.584 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.718 1.933 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.010 -2.201 -4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.554 -1.336 -3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.346 -1.278 -2.608 1.00 0.00 H new ATOM 682 N ALA A 44 3.801 3.942 -3.565 1.00 0.00 N ATOM 683 CA ALA A 44 3.962 5.281 -2.933 1.00 0.00 C ATOM 684 C ALA A 44 3.888 6.364 -4.014 1.00 0.00 C ATOM 685 O ALA A 44 3.194 7.353 -3.873 1.00 0.00 O ATOM 686 CB ALA A 44 5.318 5.354 -2.230 1.00 0.00 C ATOM 0 H ALA A 44 4.588 3.305 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 44 3.167 5.438 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.436 6.334 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.372 4.582 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.114 5.198 -2.958 1.00 0.00 H new ATOM 692 N GLU A 45 4.595 6.183 -5.094 1.00 0.00 N ATOM 693 CA GLU A 45 4.564 7.202 -6.181 1.00 0.00 C ATOM 694 C GLU A 45 3.125 7.397 -6.654 1.00 0.00 C ATOM 695 O GLU A 45 2.741 8.463 -7.092 1.00 0.00 O ATOM 696 CB GLU A 45 5.429 6.730 -7.352 1.00 0.00 C ATOM 697 CG GLU A 45 6.761 7.481 -7.339 1.00 0.00 C ATOM 698 CD GLU A 45 7.307 7.579 -8.764 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.778 6.899 -9.628 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.245 8.331 -8.967 1.00 0.00 O ATOM 0 H GLU A 45 5.192 5.375 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 45 4.954 8.147 -5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.604 5.657 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.910 6.905 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.624 8.479 -6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.476 6.963 -6.699 1.00 0.00 H new ATOM 707 N LEU A 46 2.325 6.373 -6.569 1.00 0.00 N ATOM 708 CA LEU A 46 0.908 6.496 -7.011 1.00 0.00 C ATOM 709 C LEU A 46 0.167 7.464 -6.086 1.00 0.00 C ATOM 710 O LEU A 46 -0.234 8.537 -6.488 1.00 0.00 O ATOM 711 CB LEU A 46 0.234 5.125 -6.959 1.00 0.00 C ATOM 712 CG LEU A 46 -0.825 5.036 -8.060 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.765 6.238 -7.962 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.137 5.038 -9.427 1.00 0.00 C ATOM 0 H LEU A 46 2.590 5.455 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 46 0.879 6.875 -8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.976 4.338 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.227 4.971 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.398 4.116 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.519 6.175 -8.746 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.254 6.239 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.193 7.158 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.889 4.975 -10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.435 5.958 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.534 4.182 -9.498 1.00 0.00 H new ATOM 726 N LYS A 47 -0.022 7.086 -4.847 1.00 0.00 N ATOM 727 CA LYS A 47 -0.740 7.973 -3.882 1.00 0.00 C ATOM 728 C LYS A 47 0.189 9.083 -3.369 1.00 0.00 C ATOM 729 O LYS A 47 -0.106 9.738 -2.393 1.00 0.00 O ATOM 730 CB LYS A 47 -1.223 7.135 -2.696 1.00 0.00 C ATOM 731 CG LYS A 47 -2.139 7.980 -1.806 1.00 0.00 C ATOM 732 CD LYS A 47 -1.728 7.812 -0.343 1.00 0.00 C ATOM 733 CE LYS A 47 -2.957 7.964 0.554 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.613 9.273 0.275 1.00 0.00 N ATOM 0 H LYS A 47 0.292 6.196 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.587 8.433 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.758 6.255 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.370 6.777 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.076 9.029 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.177 7.674 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.274 6.833 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.977 8.556 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.657 7.148 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.665 7.907 1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.123 9.593 1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.890 9.976 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.284 9.164 -0.512 1.00 0.00 H new ATOM 748 N MET A 48 1.309 9.299 -4.006 1.00 0.00 N ATOM 749 CA MET A 48 2.248 10.358 -3.532 1.00 0.00 C ATOM 750 C MET A 48 1.650 11.772 -3.674 1.00 0.00 C ATOM 751 O MET A 48 1.914 12.617 -2.842 1.00 0.00 O ATOM 752 CB MET A 48 3.547 10.277 -4.335 1.00 0.00 C ATOM 753 CG MET A 48 4.741 10.434 -3.392 1.00 0.00 C ATOM 754 SD MET A 48 4.983 12.186 -3.009 1.00 0.00 S ATOM 755 CE MET A 48 6.031 11.954 -1.552 1.00 0.00 C ATOM 0 H MET A 48 1.615 8.788 -4.834 1.00 0.00 H new ATOM 0 HA MET A 48 2.438 10.183 -2.473 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.605 9.322 -4.857 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.566 11.057 -5.096 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.570 9.871 -2.475 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.639 10.025 -3.854 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.306 12.926 -1.143 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.486 11.384 -0.799 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.933 11.411 -1.835 1.00 0.00 H new ATOM 765 N PRO A 49 0.867 12.020 -4.700 1.00 0.00 N ATOM 766 CA PRO A 49 0.256 13.347 -4.894 1.00 0.00 C ATOM 767 C PRO A 49 -0.957 13.523 -3.970 1.00 0.00 C ATOM 768 O PRO A 49 -1.997 13.999 -4.381 1.00 0.00 O ATOM 769 CB PRO A 49 -0.162 13.340 -6.366 1.00 0.00 C ATOM 770 CG PRO A 49 -0.287 11.855 -6.778 1.00 0.00 C ATOM 771 CD PRO A 49 0.516 11.040 -5.748 1.00 0.00 C ATOM 0 HA PRO A 49 0.931 14.169 -4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.109 13.862 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.577 13.853 -6.982 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.331 11.543 -6.789 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.103 11.698 -7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.075 10.219 -5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.407 10.601 -6.196 1.00 0.00 H new ATOM 779 N ASP A 50 -0.818 13.149 -2.719 1.00 0.00 N ATOM 780 CA ASP A 50 -1.943 13.290 -1.743 1.00 0.00 C ATOM 781 C ASP A 50 -1.757 12.293 -0.590 1.00 0.00 C ATOM 782 O ASP A 50 -2.716 11.774 -0.054 1.00 0.00 O ATOM 783 CB ASP A 50 -3.278 13.006 -2.438 1.00 0.00 C ATOM 784 CG ASP A 50 -3.120 11.815 -3.384 1.00 0.00 C ATOM 785 OD1 ASP A 50 -2.335 10.934 -3.072 1.00 0.00 O ATOM 786 OD2 ASP A 50 -3.787 11.804 -4.406 1.00 0.00 O ATOM 0 H ASP A 50 0.036 12.748 -2.331 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.945 14.308 -1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.048 12.795 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.604 13.885 -2.994 1.00 0.00 H new ATOM 791 N LEU A 51 -0.537 12.012 -0.206 1.00 0.00 N ATOM 792 CA LEU A 51 -0.319 11.041 0.907 1.00 0.00 C ATOM 793 C LEU A 51 0.062 11.790 2.192 1.00 0.00 C ATOM 794 O LEU A 51 0.610 12.873 2.152 1.00 0.00 O ATOM 795 CB LEU A 51 0.802 10.062 0.518 1.00 0.00 C ATOM 796 CG LEU A 51 2.175 10.658 0.844 1.00 0.00 C ATOM 797 CD1 LEU A 51 3.261 9.627 0.539 1.00 0.00 C ATOM 798 CD2 LEU A 51 2.407 11.905 -0.007 1.00 0.00 C ATOM 0 H LEU A 51 0.310 12.410 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.239 10.485 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.672 9.121 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.741 9.835 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 51 2.212 10.927 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.239 10.049 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.098 8.736 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.222 9.359 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.384 12.328 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.370 11.637 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.632 12.641 0.208 1.00 0.00 H new ATOM 810 N ASN A 52 -0.219 11.211 3.330 1.00 0.00 N ATOM 811 CA ASN A 52 0.138 11.879 4.614 1.00 0.00 C ATOM 812 C ASN A 52 1.497 11.358 5.082 1.00 0.00 C ATOM 813 O ASN A 52 1.632 10.822 6.164 1.00 0.00 O ATOM 814 CB ASN A 52 -0.922 11.565 5.672 1.00 0.00 C ATOM 815 CG ASN A 52 -0.858 12.618 6.780 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.124 13.323 6.908 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.870 12.757 7.594 1.00 0.00 N ATOM 0 H ASN A 52 -0.680 10.306 3.425 1.00 0.00 H new ATOM 0 HA ASN A 52 0.185 12.958 4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.913 11.557 5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.754 10.572 6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.836 13.456 8.336 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.695 12.166 7.488 1.00 0.00 H new ATOM 824 N ALA A 53 2.504 11.508 4.268 1.00 0.00 N ATOM 825 CA ALA A 53 3.859 11.020 4.649 1.00 0.00 C ATOM 826 C ALA A 53 4.785 12.218 4.867 1.00 0.00 C ATOM 827 O ALA A 53 4.339 13.325 5.098 1.00 0.00 O ATOM 828 CB ALA A 53 4.416 10.146 3.523 1.00 0.00 C ATOM 0 H ALA A 53 2.447 11.950 3.350 1.00 0.00 H new ATOM 0 HA ALA A 53 3.794 10.436 5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.408 9.787 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.754 9.295 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.484 10.732 2.607 1.00 0.00 H new ATOM 834 N ALA A 54 6.068 12.005 4.792 1.00 0.00 N ATOM 835 CA ALA A 54 7.024 13.131 4.991 1.00 0.00 C ATOM 836 C ALA A 54 8.221 12.963 4.051 1.00 0.00 C ATOM 837 O ALA A 54 9.197 13.681 4.143 1.00 0.00 O ATOM 838 CB ALA A 54 7.515 13.131 6.440 1.00 0.00 C ATOM 0 H ALA A 54 6.497 11.100 4.601 1.00 0.00 H new ATOM 0 HA ALA A 54 6.522 14.074 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.214 13.954 6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.665 13.252 7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.016 12.187 6.655 1.00 0.00 H new ATOM 844 N SER A 55 8.156 12.020 3.147 1.00 0.00 N ATOM 845 CA SER A 55 9.290 11.801 2.204 1.00 0.00 C ATOM 846 C SER A 55 9.177 10.400 1.598 1.00 0.00 C ATOM 847 O SER A 55 8.438 9.563 2.079 1.00 0.00 O ATOM 848 CB SER A 55 10.617 11.918 2.955 1.00 0.00 C ATOM 849 OG SER A 55 11.636 11.263 2.211 1.00 0.00 O ATOM 0 H SER A 55 7.363 11.391 3.022 1.00 0.00 H new ATOM 0 HA SER A 55 9.254 12.552 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.874 12.967 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.529 11.471 3.945 1.00 0.00 H new ATOM 0 HG SER A 55 12.489 11.337 2.688 1.00 0.00 H new ATOM 855 N ILE A 56 9.906 10.136 0.550 1.00 0.00 N ATOM 856 CA ILE A 56 9.840 8.787 -0.079 1.00 0.00 C ATOM 857 C ILE A 56 9.980 7.718 1.010 1.00 0.00 C ATOM 858 O ILE A 56 9.032 7.041 1.355 1.00 0.00 O ATOM 859 CB ILE A 56 10.978 8.641 -1.091 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.852 9.730 -2.160 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.901 7.265 -1.756 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.502 9.600 -2.869 1.00 0.00 C ATOM 0 H ILE A 56 10.544 10.794 0.102 1.00 0.00 H new ATOM 0 HA ILE A 56 8.885 8.665 -0.591 1.00 0.00 H new ATOM 0 HB ILE A 56 11.934 8.742 -0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.940 10.715 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.664 9.640 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.713 7.163 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.990 6.488 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.945 7.162 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.414 10.376 -3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.432 8.620 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.697 9.711 -2.142 1.00 0.00 H new ATOM 874 N GLU A 57 11.156 7.565 1.556 1.00 0.00 N ATOM 875 CA GLU A 57 11.359 6.543 2.622 1.00 0.00 C ATOM 876 C GLU A 57 10.348 6.771 3.750 1.00 0.00 C ATOM 877 O GLU A 57 9.981 5.857 4.463 1.00 0.00 O ATOM 878 CB GLU A 57 12.779 6.664 3.181 1.00 0.00 C ATOM 879 CG GLU A 57 13.759 6.939 2.038 1.00 0.00 C ATOM 880 CD GLU A 57 15.119 6.323 2.371 1.00 0.00 C ATOM 881 OE1 GLU A 57 15.179 5.116 2.528 1.00 0.00 O ATOM 882 OE2 GLU A 57 16.078 7.073 2.467 1.00 0.00 O ATOM 0 H GLU A 57 11.986 8.104 1.309 1.00 0.00 H new ATOM 0 HA GLU A 57 11.216 5.548 2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.825 7.469 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.056 5.746 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.376 6.519 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.862 8.013 1.884 1.00 0.00 H new ATOM 889 N ALA A 58 9.899 7.983 3.920 1.00 0.00 N ATOM 890 CA ALA A 58 8.917 8.271 5.005 1.00 0.00 C ATOM 891 C ALA A 58 7.590 7.568 4.701 1.00 0.00 C ATOM 892 O ALA A 58 7.102 6.776 5.486 1.00 0.00 O ATOM 893 CB ALA A 58 8.689 9.778 5.092 1.00 0.00 C ATOM 0 H ALA A 58 10.169 8.788 3.355 1.00 0.00 H new ATOM 0 HA ALA A 58 9.307 7.905 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.972 9.992 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.633 10.277 5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.300 10.143 4.141 1.00 0.00 H new ATOM 899 N ALA A 59 6.999 7.851 3.571 1.00 0.00 N ATOM 900 CA ALA A 59 5.706 7.196 3.229 1.00 0.00 C ATOM 901 C ALA A 59 5.903 5.684 3.221 1.00 0.00 C ATOM 902 O ALA A 59 5.027 4.927 3.582 1.00 0.00 O ATOM 903 CB ALA A 59 5.248 7.647 1.841 1.00 0.00 C ATOM 0 H ALA A 59 7.355 8.505 2.873 1.00 0.00 H new ATOM 0 HA ALA A 59 4.953 7.473 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.302 7.165 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.116 8.729 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.999 7.369 1.102 1.00 0.00 H new ATOM 909 N MET A 60 7.054 5.246 2.812 1.00 0.00 N ATOM 910 CA MET A 60 7.339 3.788 2.767 1.00 0.00 C ATOM 911 C MET A 60 7.155 3.192 4.163 1.00 0.00 C ATOM 912 O MET A 60 6.433 2.233 4.350 1.00 0.00 O ATOM 913 CB MET A 60 8.784 3.576 2.310 1.00 0.00 C ATOM 914 CG MET A 60 8.841 2.424 1.307 1.00 0.00 C ATOM 915 SD MET A 60 8.817 0.850 2.200 1.00 0.00 S ATOM 916 CE MET A 60 9.212 -0.210 0.789 1.00 0.00 C ATOM 0 H MET A 60 7.821 5.843 2.502 1.00 0.00 H new ATOM 0 HA MET A 60 6.657 3.299 2.071 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.169 4.488 1.854 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.419 3.356 3.168 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.994 2.480 0.623 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.745 2.498 0.702 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.438 -0.969 0.676 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.263 0.394 -0.117 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.174 -0.695 0.956 1.00 0.00 H new ATOM 926 N ARG A 61 7.799 3.757 5.147 1.00 0.00 N ATOM 927 CA ARG A 61 7.653 3.224 6.530 1.00 0.00 C ATOM 928 C ARG A 61 6.168 3.126 6.878 1.00 0.00 C ATOM 929 O ARG A 61 5.667 2.073 7.219 1.00 0.00 O ATOM 930 CB ARG A 61 8.346 4.165 7.517 1.00 0.00 C ATOM 931 CG ARG A 61 8.425 3.499 8.892 1.00 0.00 C ATOM 932 CD ARG A 61 9.892 3.313 9.285 1.00 0.00 C ATOM 933 NE ARG A 61 10.133 3.934 10.617 1.00 0.00 N ATOM 934 CZ ARG A 61 9.985 3.227 11.703 1.00 0.00 C ATOM 935 NH1 ARG A 61 9.027 2.342 11.779 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.791 3.402 12.714 1.00 0.00 N ATOM 0 H ARG A 61 8.418 4.562 5.053 1.00 0.00 H new ATOM 0 HA ARG A 61 8.110 2.236 6.591 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.347 4.408 7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.796 5.104 7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.913 4.111 9.634 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.918 2.534 8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.139 2.252 9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.540 3.769 8.537 1.00 0.00 H new ATOM 0 HE ARG A 61 10.414 4.913 10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.396 2.205 10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.910 1.788 12.628 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.539 4.093 12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.673 2.848 13.562 1.00 0.00 H new ATOM 950 N MET A 62 5.458 4.217 6.793 1.00 0.00 N ATOM 951 CA MET A 62 4.004 4.186 7.118 1.00 0.00 C ATOM 952 C MET A 62 3.248 3.425 6.026 1.00 0.00 C ATOM 953 O MET A 62 2.103 3.057 6.192 1.00 0.00 O ATOM 954 CB MET A 62 3.471 5.617 7.206 1.00 0.00 C ATOM 955 CG MET A 62 3.769 6.354 5.900 1.00 0.00 C ATOM 956 SD MET A 62 2.604 7.725 5.704 1.00 0.00 S ATOM 957 CE MET A 62 1.519 6.932 4.494 1.00 0.00 C ATOM 0 H MET A 62 5.821 5.128 6.513 1.00 0.00 H new ATOM 0 HA MET A 62 3.858 3.684 8.074 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.397 5.605 7.392 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.934 6.138 8.044 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.792 6.730 5.907 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.687 5.669 5.056 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.703 7.608 4.239 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.088 6.695 3.595 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.111 6.014 4.917 1.00 0.00 H new ATOM 967 N ILE A 63 3.880 3.189 4.908 1.00 0.00 N ATOM 968 CA ILE A 63 3.196 2.457 3.803 1.00 0.00 C ATOM 969 C ILE A 63 3.305 0.946 4.054 1.00 0.00 C ATOM 970 O ILE A 63 2.313 0.249 4.120 1.00 0.00 O ATOM 971 CB ILE A 63 3.854 2.840 2.461 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.143 4.065 1.880 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.743 1.687 1.457 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.682 3.717 1.597 1.00 0.00 C ATOM 0 H ILE A 63 4.840 3.471 4.712 1.00 0.00 H new ATOM 0 HA ILE A 63 2.141 2.727 3.765 1.00 0.00 H new ATOM 0 HB ILE A 63 4.907 3.059 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.201 4.899 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.637 4.384 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.213 1.977 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.245 0.806 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.692 1.457 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.174 4.588 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.636 2.896 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.193 3.418 2.524 1.00 0.00 H new ATOM 986 N GLU A 64 4.498 0.435 4.187 1.00 0.00 N ATOM 987 CA GLU A 64 4.657 -1.029 4.426 1.00 0.00 C ATOM 988 C GLU A 64 3.992 -1.412 5.751 1.00 0.00 C ATOM 989 O GLU A 64 3.280 -2.393 5.840 1.00 0.00 O ATOM 990 CB GLU A 64 6.147 -1.386 4.475 1.00 0.00 C ATOM 991 CG GLU A 64 6.748 -0.940 5.810 1.00 0.00 C ATOM 992 CD GLU A 64 8.239 -1.277 5.837 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.014 -0.487 5.322 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.581 -2.318 6.371 1.00 0.00 O ATOM 0 H GLU A 64 5.368 0.965 4.141 1.00 0.00 H new ATOM 0 HA GLU A 64 4.182 -1.578 3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.276 -2.461 4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.672 -0.903 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.604 0.132 5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.237 -1.437 6.635 1.00 0.00 H new ATOM 1001 N GLY A 65 4.225 -0.650 6.785 1.00 0.00 N ATOM 1002 CA GLY A 65 3.611 -0.973 8.104 1.00 0.00 C ATOM 1003 C GLY A 65 2.088 -1.007 7.966 1.00 0.00 C ATOM 1004 O GLY A 65 1.389 -1.525 8.814 1.00 0.00 O ATOM 0 H GLY A 65 4.814 0.182 6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.976 -1.936 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.903 -0.228 8.845 1.00 0.00 H new ATOM 1008 N THR A 66 1.570 -0.457 6.904 1.00 0.00 N ATOM 1009 CA THR A 66 0.092 -0.454 6.713 1.00 0.00 C ATOM 1010 C THR A 66 -0.332 -1.745 6.014 1.00 0.00 C ATOM 1011 O THR A 66 -1.260 -2.413 6.431 1.00 0.00 O ATOM 1012 CB THR A 66 -0.304 0.748 5.851 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.157 1.940 6.609 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.760 0.599 5.408 1.00 0.00 C ATOM 0 H THR A 66 2.105 -0.009 6.160 1.00 0.00 H new ATOM 0 HA THR A 66 -0.403 -0.387 7.682 1.00 0.00 H new ATOM 0 HB THR A 66 0.339 0.795 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.497 2.526 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.043 1.454 4.794 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.872 -0.317 4.828 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.405 0.553 6.286 1.00 0.00 H new ATOM 1022 N ALA A 67 0.336 -2.103 4.952 1.00 0.00 N ATOM 1023 CA ALA A 67 -0.029 -3.350 4.223 1.00 0.00 C ATOM 1024 C ALA A 67 -0.001 -4.538 5.187 1.00 0.00 C ATOM 1025 O ALA A 67 -0.838 -5.416 5.124 1.00 0.00 O ATOM 1026 CB ALA A 67 0.974 -3.589 3.094 1.00 0.00 C ATOM 0 H ALA A 67 1.121 -1.584 4.557 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.031 -3.246 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.709 -4.501 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.954 -2.745 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.975 -3.692 3.512 1.00 0.00 H new ATOM 1032 N ARG A 68 0.953 -4.579 6.075 1.00 0.00 N ATOM 1033 CA ARG A 68 1.024 -5.717 7.034 1.00 0.00 C ATOM 1034 C ARG A 68 -0.281 -5.790 7.831 1.00 0.00 C ATOM 1035 O ARG A 68 -0.626 -6.814 8.384 1.00 0.00 O ATOM 1036 CB ARG A 68 2.202 -5.513 7.989 1.00 0.00 C ATOM 1037 CG ARG A 68 2.074 -4.156 8.683 1.00 0.00 C ATOM 1038 CD ARG A 68 1.844 -4.368 10.181 1.00 0.00 C ATOM 1039 NE ARG A 68 3.076 -3.995 10.933 1.00 0.00 N ATOM 1040 CZ ARG A 68 3.446 -2.745 11.002 1.00 0.00 C ATOM 1041 NH1 ARG A 68 2.546 -1.802 11.051 1.00 0.00 N ATOM 1042 NH2 ARG A 68 4.715 -2.439 11.026 1.00 0.00 N ATOM 0 H ARG A 68 1.685 -3.876 6.178 1.00 0.00 H new ATOM 0 HA ARG A 68 1.167 -6.648 6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.224 -6.311 8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.142 -5.564 7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.977 -3.567 8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.246 -3.593 8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.002 -3.764 10.519 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.588 -5.409 10.376 1.00 0.00 H new ATOM 0 HE ARG A 68 3.630 -4.717 11.394 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.555 -2.042 11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.834 -0.825 11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.418 -3.177 10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.003 -1.462 11.080 1.00 0.00 H new ATOM 1056 N SER A 69 -1.009 -4.709 7.889 1.00 0.00 N ATOM 1057 CA SER A 69 -2.291 -4.716 8.647 1.00 0.00 C ATOM 1058 C SER A 69 -3.377 -5.405 7.816 1.00 0.00 C ATOM 1059 O SER A 69 -4.489 -5.594 8.269 1.00 0.00 O ATOM 1060 CB SER A 69 -2.714 -3.277 8.946 1.00 0.00 C ATOM 1061 OG SER A 69 -2.818 -3.100 10.352 1.00 0.00 O ATOM 0 H SER A 69 -0.772 -3.822 7.445 1.00 0.00 H new ATOM 0 HA SER A 69 -2.154 -5.258 9.583 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.986 -2.579 8.533 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.670 -3.060 8.469 1.00 0.00 H new ATOM 0 HG SER A 69 -3.087 -2.178 10.547 1.00 0.00 H new ATOM 1067 N MET A 70 -3.068 -5.782 6.604 1.00 0.00 N ATOM 1068 CA MET A 70 -4.088 -6.455 5.751 1.00 0.00 C ATOM 1069 C MET A 70 -3.570 -7.828 5.310 1.00 0.00 C ATOM 1070 O MET A 70 -3.858 -8.835 5.923 1.00 0.00 O ATOM 1071 CB MET A 70 -4.367 -5.594 4.517 1.00 0.00 C ATOM 1072 CG MET A 70 -5.509 -4.620 4.820 1.00 0.00 C ATOM 1073 SD MET A 70 -6.678 -4.611 3.437 1.00 0.00 S ATOM 1074 CE MET A 70 -6.463 -2.876 2.970 1.00 0.00 C ATOM 0 H MET A 70 -2.154 -5.653 6.169 1.00 0.00 H new ATOM 0 HA MET A 70 -5.007 -6.584 6.322 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.470 -5.043 4.235 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.631 -6.228 3.670 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.018 -4.914 5.738 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.113 -3.617 4.982 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.021 -2.673 2.056 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.833 -2.235 3.770 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.405 -2.673 2.802 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.809 -7.875 4.250 1.00 0.00 N ATOM 1085 CA GLY A 71 -2.278 -9.185 3.773 1.00 0.00 C ATOM 1086 C GLY A 71 -1.201 -8.944 2.714 1.00 0.00 C ATOM 1087 O GLY A 71 -1.203 -9.552 1.658 1.00 0.00 O ATOM 0 H GLY A 71 -2.532 -7.065 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.862 -9.747 4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.085 -9.786 3.355 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.278 -8.064 2.988 1.00 0.00 N ATOM 1092 CA ILE A 72 0.796 -7.783 2.000 1.00 0.00 C ATOM 1093 C ILE A 72 2.074 -7.403 2.745 1.00 0.00 C ATOM 1094 O ILE A 72 2.108 -6.459 3.509 1.00 0.00 O ATOM 1095 CB ILE A 72 0.373 -6.626 1.095 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.962 -6.961 0.426 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.439 -6.401 0.021 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -2.111 -6.553 1.351 1.00 0.00 C ATOM 0 H ILE A 72 -0.223 -7.528 3.854 1.00 0.00 H new ATOM 0 HA ILE A 72 0.973 -8.670 1.391 1.00 0.00 H new ATOM 0 HB ILE A 72 0.263 -5.721 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.045 -6.439 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.016 -8.028 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.137 -5.576 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.390 -6.160 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.551 -7.306 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.063 -6.791 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.030 -7.096 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.060 -5.481 1.544 1.00 0.00 H new ATOM 1110 N VAL A 73 3.121 -8.145 2.534 1.00 0.00 N ATOM 1111 CA VAL A 73 4.404 -7.851 3.231 1.00 0.00 C ATOM 1112 C VAL A 73 5.404 -7.234 2.248 1.00 0.00 C ATOM 1113 O VAL A 73 5.243 -7.315 1.047 1.00 0.00 O ATOM 1114 CB VAL A 73 4.971 -9.157 3.787 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.062 -8.847 4.813 1.00 0.00 C ATOM 1116 CG2 VAL A 73 3.845 -9.942 4.461 1.00 0.00 C ATOM 0 H VAL A 73 3.145 -8.948 1.905 1.00 0.00 H new ATOM 0 HA VAL A 73 4.227 -7.145 4.042 1.00 0.00 H new ATOM 0 HB VAL A 73 5.398 -9.747 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.465 -9.779 5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.861 -8.280 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.639 -8.260 5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.241 -10.876 4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.424 -9.349 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.066 -10.161 3.730 1.00 0.00 H new ATOM 1126 N VAL A 74 6.442 -6.623 2.756 1.00 0.00 N ATOM 1127 CA VAL A 74 7.463 -6.004 1.863 1.00 0.00 C ATOM 1128 C VAL A 74 8.846 -6.196 2.479 1.00 0.00 C ATOM 1129 O VAL A 74 9.046 -5.988 3.659 1.00 0.00 O ATOM 1130 CB VAL A 74 7.182 -4.509 1.706 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.281 -3.872 0.855 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.830 -4.309 1.016 1.00 0.00 C ATOM 0 H VAL A 74 6.626 -6.526 3.755 1.00 0.00 H new ATOM 0 HA VAL A 74 7.422 -6.479 0.883 1.00 0.00 H new ATOM 0 HB VAL A 74 7.161 -4.041 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.082 -2.806 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.246 -4.011 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.300 -4.344 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.632 -3.243 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.851 -4.778 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.043 -4.763 1.618 1.00 0.00 H new ATOM 1142 N GLU A 75 9.801 -6.600 1.691 1.00 0.00 N ATOM 1143 CA GLU A 75 11.171 -6.815 2.239 1.00 0.00 C ATOM 1144 C GLU A 75 12.212 -6.209 1.295 1.00 0.00 C ATOM 1145 O GLU A 75 12.551 -6.786 0.280 1.00 0.00 O ATOM 1146 CB GLU A 75 11.429 -8.315 2.390 1.00 0.00 C ATOM 1147 CG GLU A 75 11.078 -8.753 3.815 1.00 0.00 C ATOM 1148 CD GLU A 75 11.858 -10.022 4.166 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.797 -10.964 3.394 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.503 -10.030 5.202 1.00 0.00 O ATOM 0 H GLU A 75 9.695 -6.791 0.695 1.00 0.00 H new ATOM 0 HA GLU A 75 11.248 -6.331 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.831 -8.872 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.474 -8.538 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.319 -7.958 4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.007 -8.938 3.897 1.00 0.00 H new ATOM 1157 N ASP A 76 12.725 -5.053 1.631 1.00 0.00 N ATOM 1158 CA ASP A 76 13.750 -4.397 0.766 1.00 0.00 C ATOM 1159 C ASP A 76 13.404 -4.609 -0.708 1.00 0.00 C ATOM 1160 O ASP A 76 14.107 -5.366 -1.359 1.00 0.00 O ATOM 1161 CB ASP A 76 15.126 -4.999 1.057 1.00 0.00 C ATOM 1162 CG ASP A 76 15.835 -4.163 2.124 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.388 -4.182 3.258 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.813 -3.516 1.785 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.443 -4.012 -1.159 1.00 0.00 O ATOM 0 H ASP A 76 12.476 -4.533 2.472 1.00 0.00 H new ATOM 0 HA ASP A 76 13.765 -3.328 0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.019 -6.029 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.723 -5.026 0.145 1.00 0.00 H new