USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 380 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 12 SER OG : rot 43:sc= 0.345 USER MOD Single : A 18 CYS SG : rot 180:sc= -1.54 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -1.37 (180deg=-1.81) USER MOD Single : A 29 HIS : no HD1:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.402 USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -0.141 (180deg=-0.762) USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= -0.263 (180deg=-1.35!) USER MOD Single : A 44 MET CE :methyl -167:sc= -0.315 (180deg=-1.01) USER MOD Single : A 46 ASN : amide:sc= -1.12 K(o=-1.1,f=-3!) USER MOD Single : A 47 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.9) USER MOD Single : A 48 THR OG1 : rot 50:sc= 0.836 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0636 USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= -0.151 (180deg=-0.843) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.540 7.596 4.507 1.00 0.00 N ATOM 184 CA SER A 12 5.882 6.217 4.975 1.00 0.00 C ATOM 185 C SER A 12 6.192 5.316 3.785 1.00 0.00 C ATOM 186 O SER A 12 5.652 5.496 2.716 1.00 0.00 O ATOM 187 CB SER A 12 4.669 5.637 5.720 1.00 0.00 C ATOM 188 OG SER A 12 4.383 6.598 6.725 1.00 0.00 O ATOM 0 HA SER A 12 6.754 6.267 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.820 5.497 5.050 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.897 4.663 6.154 1.00 0.00 H new ATOM 0 HG SER A 12 4.442 7.498 6.343 1.00 0.00 H new ATOM 194 N ALA A 13 7.050 4.361 3.991 1.00 0.00 N ATOM 195 CA ALA A 13 7.395 3.450 2.878 1.00 0.00 C ATOM 196 C ALA A 13 6.152 2.868 2.258 1.00 0.00 C ATOM 197 O ALA A 13 6.030 2.778 1.053 1.00 0.00 O ATOM 198 CB ALA A 13 8.230 2.286 3.437 1.00 0.00 C ATOM 0 H ALA A 13 7.523 4.175 4.876 1.00 0.00 H new ATOM 0 HA ALA A 13 7.946 4.014 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.492 1.605 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.140 2.677 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.650 1.750 4.188 1.00 0.00 H new ATOM 204 N PHE A 14 5.249 2.480 3.098 1.00 0.00 N ATOM 205 CA PHE A 14 3.989 1.889 2.599 1.00 0.00 C ATOM 206 C PHE A 14 3.057 2.959 2.009 1.00 0.00 C ATOM 207 O PHE A 14 2.070 2.643 1.383 1.00 0.00 O ATOM 208 CB PHE A 14 3.329 1.111 3.794 1.00 0.00 C ATOM 209 CG PHE A 14 1.859 1.497 4.038 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.518 2.788 4.349 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.866 0.532 3.981 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.204 3.123 4.603 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.440 0.863 4.234 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.775 2.159 4.545 1.00 0.00 C ATOM 0 H PHE A 14 5.328 2.546 4.113 1.00 0.00 H new ATOM 0 HA PHE A 14 4.189 1.199 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.388 0.040 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.902 1.300 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.284 3.548 4.395 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.123 -0.488 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.056 4.142 4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.207 0.104 4.189 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.804 2.420 4.743 1.00 0.00 H new ATOM 224 N PHE A 15 3.353 4.202 2.251 1.00 0.00 N ATOM 225 CA PHE A 15 2.470 5.247 1.687 1.00 0.00 C ATOM 226 C PHE A 15 2.709 5.286 0.210 1.00 0.00 C ATOM 227 O PHE A 15 1.806 5.480 -0.583 1.00 0.00 O ATOM 228 CB PHE A 15 2.831 6.610 2.271 1.00 0.00 C ATOM 229 CG PHE A 15 1.925 7.658 1.629 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.593 7.742 1.987 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.415 8.512 0.659 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.236 8.659 1.380 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.584 9.432 0.055 1.00 0.00 C ATOM 234 CZ PHE A 15 0.259 9.505 0.415 1.00 0.00 C ATOM 0 H PHE A 15 4.147 4.532 2.800 1.00 0.00 H new ATOM 0 HA PHE A 15 1.429 5.024 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.701 6.607 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.878 6.842 2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.199 7.084 2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.455 8.458 0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.277 8.714 1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.975 10.096 -0.702 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.392 10.225 -0.059 1.00 0.00 H new ATOM 244 N LEU A 16 3.945 5.098 -0.129 1.00 0.00 N ATOM 245 CA LEU A 16 4.329 5.106 -1.538 1.00 0.00 C ATOM 246 C LEU A 16 3.655 3.933 -2.221 1.00 0.00 C ATOM 247 O LEU A 16 3.499 3.899 -3.424 1.00 0.00 O ATOM 248 CB LEU A 16 5.860 4.897 -1.614 1.00 0.00 C ATOM 249 CG LEU A 16 6.580 5.838 -0.638 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.092 5.543 -0.684 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.325 7.289 -1.052 1.00 0.00 C ATOM 0 H LEU A 16 4.709 4.938 0.527 1.00 0.00 H new ATOM 0 HA LEU A 16 4.040 6.043 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.104 3.861 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.208 5.082 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 16 6.207 5.683 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.613 6.206 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.270 4.507 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.464 5.707 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.835 7.960 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.704 7.451 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.254 7.491 -1.030 1.00 0.00 H new ATOM 263 N PHE A 17 3.269 2.986 -1.406 1.00 0.00 N ATOM 264 CA PHE A 17 2.599 1.774 -1.910 1.00 0.00 C ATOM 265 C PHE A 17 1.086 1.977 -1.911 1.00 0.00 C ATOM 266 O PHE A 17 0.396 1.526 -2.796 1.00 0.00 O ATOM 267 CB PHE A 17 3.000 0.671 -0.933 1.00 0.00 C ATOM 268 CG PHE A 17 2.141 -0.567 -1.050 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.898 -0.602 -0.450 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.643 -1.716 -1.628 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.174 -1.770 -0.417 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.915 -2.883 -1.596 1.00 0.00 C ATOM 273 CZ PHE A 17 0.681 -2.907 -0.985 1.00 0.00 C ATOM 0 H PHE A 17 3.397 3.012 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 17 2.885 1.531 -2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.042 0.401 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.936 1.055 0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.492 0.294 -0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.611 -1.699 -2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.796 -1.790 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.311 -3.780 -2.050 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.112 -3.825 -0.954 1.00 0.00 H new ATOM 283 N CYS A 18 0.596 2.654 -0.906 1.00 0.00 N ATOM 284 CA CYS A 18 -0.860 2.897 -0.838 1.00 0.00 C ATOM 285 C CYS A 18 -1.389 3.393 -2.179 1.00 0.00 C ATOM 286 O CYS A 18 -2.379 2.899 -2.679 1.00 0.00 O ATOM 287 CB CYS A 18 -1.122 3.979 0.224 1.00 0.00 C ATOM 288 SG CYS A 18 -2.796 4.660 0.322 1.00 0.00 S ATOM 0 H CYS A 18 1.143 3.044 -0.138 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.365 1.965 -0.584 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.870 3.562 1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.433 4.804 0.042 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.846 5.554 1.265 1.00 0.00 H new ATOM 294 N SER A 19 -0.717 4.362 -2.736 1.00 0.00 N ATOM 295 CA SER A 19 -1.162 4.904 -4.038 1.00 0.00 C ATOM 296 C SER A 19 -1.180 3.819 -5.111 1.00 0.00 C ATOM 297 O SER A 19 -1.941 3.889 -6.056 1.00 0.00 O ATOM 298 CB SER A 19 -0.174 6.001 -4.468 1.00 0.00 C ATOM 299 OG SER A 19 -0.737 6.530 -5.659 1.00 0.00 O ATOM 0 H SER A 19 0.118 4.797 -2.343 1.00 0.00 H new ATOM 0 HA SER A 19 -2.172 5.299 -3.927 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.072 6.768 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.821 5.593 -4.645 1.00 0.00 H new ATOM 0 HG SER A 19 -0.162 7.246 -6.003 1.00 0.00 H new ATOM 305 N GLU A 20 -0.335 2.832 -4.946 1.00 0.00 N ATOM 306 CA GLU A 20 -0.280 1.734 -5.938 1.00 0.00 C ATOM 307 C GLU A 20 -1.387 0.694 -5.700 1.00 0.00 C ATOM 308 O GLU A 20 -2.088 0.326 -6.618 1.00 0.00 O ATOM 309 CB GLU A 20 1.108 1.048 -5.818 1.00 0.00 C ATOM 310 CG GLU A 20 1.133 -0.247 -6.638 1.00 0.00 C ATOM 311 CD GLU A 20 0.631 0.035 -8.057 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.109 1.008 -8.617 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.202 -0.738 -8.500 1.00 0.00 O ATOM 0 H GLU A 20 0.316 2.746 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.431 2.150 -6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.887 1.724 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.324 0.829 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.146 -0.648 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.507 -1.002 -6.163 1.00 0.00 H new ATOM 320 N TYR A 21 -1.503 0.222 -4.475 1.00 0.00 N ATOM 321 CA TYR A 21 -2.553 -0.794 -4.162 1.00 0.00 C ATOM 322 C TYR A 21 -3.867 -0.161 -3.729 1.00 0.00 C ATOM 323 O TYR A 21 -4.682 -0.801 -3.096 1.00 0.00 O ATOM 324 CB TYR A 21 -2.017 -1.674 -3.013 1.00 0.00 C ATOM 325 CG TYR A 21 -1.124 -2.765 -3.583 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.185 -2.493 -3.891 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.617 -4.035 -3.791 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.002 -3.479 -4.402 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.804 -5.024 -4.303 1.00 0.00 C ATOM 330 CZ TYR A 21 0.514 -4.754 -4.613 1.00 0.00 C ATOM 331 OH TYR A 21 1.330 -5.739 -5.129 1.00 0.00 O ATOM 0 H TYR A 21 -0.917 0.498 -3.687 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.758 -1.372 -5.063 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.457 -1.064 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.847 -2.119 -2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.578 -1.500 -3.732 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.646 -4.257 -3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.031 -3.253 -4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.201 -6.016 -4.462 1.00 0.00 H new ATOM 0 HH TYR A 21 0.823 -6.574 -5.211 1.00 0.00 H new ATOM 341 N ARG A 22 -4.056 1.064 -4.075 1.00 0.00 N ATOM 342 CA ARG A 22 -5.321 1.741 -3.682 1.00 0.00 C ATOM 343 C ARG A 22 -6.515 1.292 -4.583 1.00 0.00 C ATOM 344 O ARG A 22 -7.576 0.982 -4.080 1.00 0.00 O ATOM 345 CB ARG A 22 -5.117 3.301 -3.771 1.00 0.00 C ATOM 346 CG ARG A 22 -5.297 3.940 -2.373 1.00 0.00 C ATOM 347 CD ARG A 22 -5.196 5.464 -2.499 1.00 0.00 C ATOM 348 NE ARG A 22 -5.623 6.088 -1.211 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.897 6.213 -0.945 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.771 5.786 -1.817 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.255 6.762 0.185 1.00 0.00 N ATOM 0 H ARG A 22 -3.400 1.632 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.567 1.459 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.122 3.524 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.834 3.730 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.264 3.661 -1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.534 3.568 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.173 5.755 -2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.826 5.817 -3.315 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.925 6.415 -0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.456 5.363 -2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.769 5.876 -1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.545 7.085 0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.244 6.868 0.410 1.00 0.00 H new ATOM 365 N PRO A 23 -6.315 1.267 -5.907 1.00 0.00 N ATOM 366 CA PRO A 23 -7.380 0.858 -6.830 1.00 0.00 C ATOM 367 C PRO A 23 -7.575 -0.670 -6.822 1.00 0.00 C ATOM 368 O PRO A 23 -8.671 -1.158 -7.019 1.00 0.00 O ATOM 369 CB PRO A 23 -6.884 1.323 -8.234 1.00 0.00 C ATOM 370 CG PRO A 23 -5.377 1.716 -8.073 1.00 0.00 C ATOM 371 CD PRO A 23 -5.050 1.654 -6.556 1.00 0.00 C ATOM 0 HA PRO A 23 -8.340 1.293 -6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.999 0.526 -8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.469 2.171 -8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.739 1.033 -8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.195 2.716 -8.466 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.263 0.928 -6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.697 2.618 -6.189 1.00 0.00 H new ATOM 379 N LYS A 24 -6.505 -1.389 -6.591 1.00 0.00 N ATOM 380 CA LYS A 24 -6.608 -2.865 -6.568 1.00 0.00 C ATOM 381 C LYS A 24 -7.768 -3.303 -5.698 1.00 0.00 C ATOM 382 O LYS A 24 -8.622 -4.057 -6.123 1.00 0.00 O ATOM 383 CB LYS A 24 -5.308 -3.436 -5.973 1.00 0.00 C ATOM 384 CG LYS A 24 -4.116 -3.176 -6.933 1.00 0.00 C ATOM 385 CD LYS A 24 -4.060 -4.257 -8.069 1.00 0.00 C ATOM 386 CE LYS A 24 -4.927 -3.845 -9.300 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.166 -4.080 -10.559 1.00 0.00 N ATOM 0 H LYS A 24 -5.573 -1.013 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.767 -3.227 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.111 -2.976 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.418 -4.507 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.210 -2.184 -7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.183 -3.187 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.026 -4.401 -8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.411 -5.213 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.853 -4.420 -9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.205 -2.794 -9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.750 -3.803 -11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.294 -3.513 -10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.922 -5.088 -10.634 1.00 0.00 H new ATOM 401 N ILE A 25 -7.779 -2.818 -4.487 1.00 0.00 N ATOM 402 CA ILE A 25 -8.868 -3.181 -3.556 1.00 0.00 C ATOM 403 C ILE A 25 -10.070 -2.261 -3.769 1.00 0.00 C ATOM 404 O ILE A 25 -11.151 -2.716 -4.082 1.00 0.00 O ATOM 405 CB ILE A 25 -8.343 -3.031 -2.090 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.159 -2.044 -2.047 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.855 -4.423 -1.587 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.978 -1.507 -0.616 1.00 0.00 C ATOM 0 H ILE A 25 -7.076 -2.184 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.180 -4.209 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.147 -2.655 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.247 -2.542 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.338 -1.218 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.486 -4.332 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.684 -5.130 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.053 -4.782 -2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.140 -0.810 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.887 -0.993 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.779 -2.337 0.062 1.00 0.00 H new ATOM 420 N LYS A 26 -9.854 -0.975 -3.608 1.00 0.00 N ATOM 421 CA LYS A 26 -10.973 -0.018 -3.798 1.00 0.00 C ATOM 422 C LYS A 26 -11.711 -0.355 -5.080 1.00 0.00 C ATOM 423 O LYS A 26 -12.888 -0.090 -5.220 1.00 0.00 O ATOM 424 CB LYS A 26 -10.386 1.415 -3.884 1.00 0.00 C ATOM 425 CG LYS A 26 -11.528 2.461 -3.939 1.00 0.00 C ATOM 426 CD LYS A 26 -12.022 2.768 -2.518 1.00 0.00 C ATOM 427 CE LYS A 26 -13.063 3.899 -2.574 1.00 0.00 C ATOM 428 NZ LYS A 26 -13.834 3.839 -3.848 1.00 0.00 N ATOM 0 H LYS A 26 -8.958 -0.558 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.671 -0.080 -2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.749 1.607 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.758 1.505 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.174 3.375 -4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.351 2.083 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.462 1.875 -2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.184 3.060 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.743 3.817 -1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.564 4.864 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.718 4.376 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.267 4.251 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.055 2.848 -4.073 1.00 0.00 H new ATOM 442 N GLY A 27 -10.997 -0.945 -5.995 1.00 0.00 N ATOM 443 CA GLY A 27 -11.627 -1.314 -7.275 1.00 0.00 C ATOM 444 C GLY A 27 -12.677 -2.377 -7.004 1.00 0.00 C ATOM 445 O GLY A 27 -13.843 -2.202 -7.296 1.00 0.00 O ATOM 0 H GLY A 27 -10.009 -1.184 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.084 -0.440 -7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.878 -1.690 -7.972 1.00 0.00 H new ATOM 449 N GLU A 28 -12.233 -3.464 -6.443 1.00 0.00 N ATOM 450 CA GLU A 28 -13.155 -4.551 -6.133 1.00 0.00 C ATOM 451 C GLU A 28 -13.988 -4.173 -4.917 1.00 0.00 C ATOM 452 O GLU A 28 -14.877 -4.895 -4.512 1.00 0.00 O ATOM 453 CB GLU A 28 -12.323 -5.796 -5.807 1.00 0.00 C ATOM 454 CG GLU A 28 -11.770 -6.385 -7.102 1.00 0.00 C ATOM 455 CD GLU A 28 -10.997 -7.663 -6.777 1.00 0.00 C ATOM 456 OE1 GLU A 28 -11.526 -8.428 -5.987 1.00 0.00 O ATOM 457 OE2 GLU A 28 -9.920 -7.801 -7.331 1.00 0.00 O ATOM 0 H GLU A 28 -11.260 -3.633 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.818 -4.742 -6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.506 -5.536 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.938 -6.534 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.583 -6.603 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.117 -5.665 -7.594 1.00 0.00 H new ATOM 464 N HIS A 29 -13.667 -3.027 -4.355 1.00 0.00 N ATOM 465 CA HIS A 29 -14.401 -2.534 -3.159 1.00 0.00 C ATOM 466 C HIS A 29 -14.675 -1.026 -3.291 1.00 0.00 C ATOM 467 O HIS A 29 -14.107 -0.230 -2.570 1.00 0.00 O ATOM 468 CB HIS A 29 -13.491 -2.746 -1.937 1.00 0.00 C ATOM 469 CG HIS A 29 -13.494 -4.220 -1.532 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.132 -4.684 -0.569 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.824 -5.295 -2.084 1.00 0.00 C ATOM 472 CE1 HIS A 29 -13.943 -5.928 -0.442 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.119 -6.416 -1.369 1.00 0.00 N ATOM 0 H HIS A 29 -12.921 -2.414 -4.683 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.347 -3.067 -3.059 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.475 -2.426 -2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.836 -2.131 -1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.172 -5.253 -2.944 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.399 -6.528 0.332 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.796 -7.374 -1.506 1.00 0.00 H new ATOM 481 N PRO A 30 -15.545 -0.655 -4.220 1.00 0.00 N ATOM 482 CA PRO A 30 -15.871 0.753 -4.427 1.00 0.00 C ATOM 483 C PRO A 30 -16.649 1.329 -3.228 1.00 0.00 C ATOM 484 O PRO A 30 -17.859 1.436 -3.258 1.00 0.00 O ATOM 485 CB PRO A 30 -16.748 0.772 -5.725 1.00 0.00 C ATOM 486 CG PRO A 30 -17.036 -0.722 -6.107 1.00 0.00 C ATOM 487 CD PRO A 30 -16.241 -1.608 -5.111 1.00 0.00 C ATOM 0 HA PRO A 30 -14.976 1.368 -4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.679 1.312 -5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.227 1.283 -6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.103 -0.936 -6.047 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.728 -0.924 -7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.906 -2.262 -4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.531 -2.250 -5.633 1.00 0.00 H new ATOM 495 N GLY A 31 -15.933 1.677 -2.185 1.00 0.00 N ATOM 496 CA GLY A 31 -16.622 2.245 -0.986 1.00 0.00 C ATOM 497 C GLY A 31 -15.764 2.104 0.278 1.00 0.00 C ATOM 498 O GLY A 31 -16.288 2.019 1.370 1.00 0.00 O ATOM 0 H GLY A 31 -14.919 1.594 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.846 3.298 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.575 1.737 -0.838 1.00 0.00 H new ATOM 502 N LEU A 32 -14.461 2.077 0.117 1.00 0.00 N ATOM 503 CA LEU A 32 -13.595 1.942 1.323 1.00 0.00 C ATOM 504 C LEU A 32 -13.432 3.272 2.027 1.00 0.00 C ATOM 505 O LEU A 32 -13.415 4.319 1.410 1.00 0.00 O ATOM 506 CB LEU A 32 -12.154 1.505 0.914 1.00 0.00 C ATOM 507 CG LEU A 32 -12.061 0.040 0.414 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.591 -0.409 0.556 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.923 -0.896 1.263 1.00 0.00 C ATOM 0 H LEU A 32 -13.973 2.141 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.075 1.207 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.792 2.170 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.490 1.630 1.770 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.411 -0.005 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.490 -1.438 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.953 0.239 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.290 -0.345 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.835 -1.915 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.585 -0.862 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.965 -0.579 1.211 1.00 0.00 H new ATOM 521 N SER A 33 -13.312 3.196 3.321 1.00 0.00 N ATOM 522 CA SER A 33 -13.140 4.412 4.126 1.00 0.00 C ATOM 523 C SER A 33 -11.655 4.615 4.329 1.00 0.00 C ATOM 524 O SER A 33 -10.922 3.653 4.407 1.00 0.00 O ATOM 525 CB SER A 33 -13.810 4.202 5.494 1.00 0.00 C ATOM 526 OG SER A 33 -13.019 3.202 6.120 1.00 0.00 O ATOM 0 H SER A 33 -13.327 2.326 3.853 1.00 0.00 H new ATOM 0 HA SER A 33 -13.586 5.275 3.632 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.822 5.123 6.077 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.846 3.880 5.385 1.00 0.00 H new ATOM 0 HG SER A 33 -13.381 3.008 7.010 1.00 0.00 H new ATOM 532 N ILE A 34 -11.214 5.840 4.404 1.00 0.00 N ATOM 533 CA ILE A 34 -9.753 6.064 4.604 1.00 0.00 C ATOM 534 C ILE A 34 -9.198 5.112 5.651 1.00 0.00 C ATOM 535 O ILE A 34 -8.050 4.725 5.599 1.00 0.00 O ATOM 536 CB ILE A 34 -9.536 7.503 5.069 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.105 8.470 4.023 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.017 7.753 5.203 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.109 9.914 4.572 1.00 0.00 C ATOM 0 H ILE A 34 -11.787 6.681 4.337 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.235 5.883 3.662 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.035 7.662 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.509 8.422 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.119 8.172 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.845 8.777 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.597 7.060 5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.536 7.599 4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.515 10.589 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.725 9.960 5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.090 10.214 4.815 1.00 0.00 H new ATOM 551 N GLY A 35 -10.027 4.755 6.581 1.00 0.00 N ATOM 552 CA GLY A 35 -9.568 3.827 7.638 1.00 0.00 C ATOM 553 C GLY A 35 -9.441 2.414 7.062 1.00 0.00 C ATOM 554 O GLY A 35 -8.506 1.705 7.357 1.00 0.00 O ATOM 0 H GLY A 35 -10.997 5.063 6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.607 4.157 8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.273 3.830 8.469 1.00 0.00 H new ATOM 558 N ASP A 36 -10.389 2.042 6.233 1.00 0.00 N ATOM 559 CA ASP A 36 -10.342 0.691 5.630 1.00 0.00 C ATOM 560 C ASP A 36 -9.236 0.606 4.605 1.00 0.00 C ATOM 561 O ASP A 36 -8.492 -0.352 4.556 1.00 0.00 O ATOM 562 CB ASP A 36 -11.694 0.431 4.928 1.00 0.00 C ATOM 563 CG ASP A 36 -11.978 -1.075 4.892 1.00 0.00 C ATOM 564 OD1 ASP A 36 -11.028 -1.809 5.106 1.00 0.00 O ATOM 565 OD2 ASP A 36 -13.128 -1.403 4.653 1.00 0.00 O ATOM 0 H ASP A 36 -11.184 2.618 5.956 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.155 -0.048 6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.494 0.949 5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.671 0.831 3.914 1.00 0.00 H new ATOM 570 N VAL A 37 -9.149 1.617 3.810 1.00 0.00 N ATOM 571 CA VAL A 37 -8.113 1.641 2.775 1.00 0.00 C ATOM 572 C VAL A 37 -6.767 1.359 3.386 1.00 0.00 C ATOM 573 O VAL A 37 -6.119 0.392 3.067 1.00 0.00 O ATOM 574 CB VAL A 37 -8.089 3.067 2.162 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.888 3.192 1.197 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.401 3.323 1.414 1.00 0.00 C ATOM 0 H VAL A 37 -9.759 2.434 3.836 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.327 0.887 2.018 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.984 3.808 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.870 4.193 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.962 3.016 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.984 2.455 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.385 4.324 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.515 2.587 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.238 3.240 2.108 1.00 0.00 H new ATOM 586 N ALA A 38 -6.396 2.196 4.274 1.00 0.00 N ATOM 587 CA ALA A 38 -5.106 2.030 4.938 1.00 0.00 C ATOM 588 C ALA A 38 -5.003 0.681 5.669 1.00 0.00 C ATOM 589 O ALA A 38 -3.971 0.042 5.629 1.00 0.00 O ATOM 590 CB ALA A 38 -4.961 3.182 5.916 1.00 0.00 C ATOM 0 H ALA A 38 -6.940 3.004 4.576 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.305 2.035 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.007 3.099 6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.997 4.127 5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.775 3.149 6.640 1.00 0.00 H new ATOM 596 N LYS A 39 -6.061 0.268 6.325 1.00 0.00 N ATOM 597 CA LYS A 39 -5.994 -1.031 7.039 1.00 0.00 C ATOM 598 C LYS A 39 -5.667 -2.158 6.055 1.00 0.00 C ATOM 599 O LYS A 39 -4.718 -2.893 6.235 1.00 0.00 O ATOM 600 CB LYS A 39 -7.387 -1.300 7.715 1.00 0.00 C ATOM 601 CG LYS A 39 -7.276 -1.121 9.241 1.00 0.00 C ATOM 602 CD LYS A 39 -7.056 0.364 9.564 1.00 0.00 C ATOM 603 CE LYS A 39 -6.515 0.498 10.992 1.00 0.00 C ATOM 604 NZ LYS A 39 -5.157 -0.104 11.095 1.00 0.00 N ATOM 0 H LYS A 39 -6.948 0.767 6.393 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.210 -0.996 7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.134 -0.615 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.724 -2.310 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.183 -1.480 9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.449 -1.716 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.354 0.802 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.993 0.912 9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.475 1.550 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.191 0.006 11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.616 0.384 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.242 -1.112 11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.664 -0.005 10.185 1.00 0.00 H new ATOM 618 N LYS A 40 -6.465 -2.261 5.038 1.00 0.00 N ATOM 619 CA LYS A 40 -6.237 -3.317 4.028 1.00 0.00 C ATOM 620 C LYS A 40 -4.869 -3.165 3.389 1.00 0.00 C ATOM 621 O LYS A 40 -4.192 -4.132 3.128 1.00 0.00 O ATOM 622 CB LYS A 40 -7.311 -3.186 2.939 1.00 0.00 C ATOM 623 CG LYS A 40 -8.718 -3.441 3.561 1.00 0.00 C ATOM 624 CD LYS A 40 -9.659 -4.068 2.503 1.00 0.00 C ATOM 625 CE LYS A 40 -9.472 -5.592 2.485 1.00 0.00 C ATOM 626 NZ LYS A 40 -9.765 -6.166 3.827 1.00 0.00 N ATOM 0 H LYS A 40 -7.268 -1.657 4.863 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.289 -4.292 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.273 -2.192 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.121 -3.901 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.630 -4.105 4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.139 -2.504 3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.696 -3.822 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.443 -3.653 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.132 -6.037 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.451 -5.836 2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.147 -7.127 3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.890 -6.203 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.463 -5.569 4.315 1.00 0.00 H new ATOM 640 N LEU A 41 -4.490 -1.959 3.114 1.00 0.00 N ATOM 641 CA LEU A 41 -3.168 -1.766 2.497 1.00 0.00 C ATOM 642 C LEU A 41 -2.110 -2.200 3.459 1.00 0.00 C ATOM 643 O LEU A 41 -1.111 -2.781 3.085 1.00 0.00 O ATOM 644 CB LEU A 41 -2.956 -0.273 2.190 1.00 0.00 C ATOM 645 CG LEU A 41 -3.885 0.165 1.058 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.928 1.688 1.040 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.355 -0.345 -0.296 1.00 0.00 C ATOM 0 H LEU A 41 -5.031 -1.112 3.287 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.112 -2.350 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.151 0.322 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.918 -0.095 1.909 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.881 -0.247 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.586 2.024 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.305 2.053 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.924 2.078 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.026 -0.026 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.360 0.063 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.303 -1.434 -0.280 1.00 0.00 H new ATOM 659 N GLY A 42 -2.348 -1.908 4.695 1.00 0.00 N ATOM 660 CA GLY A 42 -1.378 -2.287 5.719 1.00 0.00 C ATOM 661 C GLY A 42 -1.241 -3.811 5.754 1.00 0.00 C ATOM 662 O GLY A 42 -0.196 -4.341 6.078 1.00 0.00 O ATOM 0 H GLY A 42 -3.178 -1.421 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.412 -1.829 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.699 -1.918 6.693 1.00 0.00 H new ATOM 666 N GLU A 43 -2.317 -4.487 5.415 1.00 0.00 N ATOM 667 CA GLU A 43 -2.289 -5.959 5.416 1.00 0.00 C ATOM 668 C GLU A 43 -1.477 -6.472 4.224 1.00 0.00 C ATOM 669 O GLU A 43 -0.567 -7.260 4.388 1.00 0.00 O ATOM 670 CB GLU A 43 -3.749 -6.465 5.308 1.00 0.00 C ATOM 671 CG GLU A 43 -4.395 -6.454 6.701 1.00 0.00 C ATOM 672 CD GLU A 43 -5.918 -6.551 6.558 1.00 0.00 C ATOM 673 OE1 GLU A 43 -6.342 -6.820 5.446 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.570 -6.351 7.570 1.00 0.00 O ATOM 0 H GLU A 43 -3.206 -4.069 5.140 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.824 -6.324 6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.316 -5.831 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.767 -7.473 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.021 -7.289 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.126 -5.540 7.231 1.00 0.00 H new ATOM 681 N MET A 44 -1.822 -6.017 3.043 1.00 0.00 N ATOM 682 CA MET A 44 -1.075 -6.473 1.845 1.00 0.00 C ATOM 683 C MET A 44 0.389 -6.092 1.966 1.00 0.00 C ATOM 684 O MET A 44 1.264 -6.915 1.791 1.00 0.00 O ATOM 685 CB MET A 44 -1.695 -5.800 0.593 1.00 0.00 C ATOM 686 CG MET A 44 -2.938 -6.598 0.190 1.00 0.00 C ATOM 687 SD MET A 44 -3.955 -5.952 -1.149 1.00 0.00 S ATOM 688 CE MET A 44 -4.365 -4.390 -0.351 1.00 0.00 C ATOM 0 H MET A 44 -2.580 -5.358 2.865 1.00 0.00 H new ATOM 0 HA MET A 44 -1.142 -7.557 1.758 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.961 -4.765 0.809 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.974 -5.780 -0.224 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.616 -7.601 -0.089 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.571 -6.700 1.072 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.178 -3.907 -0.893 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.675 -4.577 0.677 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.490 -3.739 -0.354 1.00 0.00 H new ATOM 698 N TRP A 45 0.631 -4.851 2.264 1.00 0.00 N ATOM 699 CA TRP A 45 2.034 -4.394 2.406 1.00 0.00 C ATOM 700 C TRP A 45 2.774 -5.328 3.327 1.00 0.00 C ATOM 701 O TRP A 45 3.765 -5.923 2.967 1.00 0.00 O ATOM 702 CB TRP A 45 1.987 -3.007 3.040 1.00 0.00 C ATOM 703 CG TRP A 45 3.378 -2.539 3.465 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.749 -2.403 4.725 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.296 -2.081 2.652 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.946 -1.821 4.646 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.370 -1.574 3.360 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.285 -2.003 1.281 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.416 -0.989 2.697 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.339 -1.416 0.618 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.398 -0.906 1.329 1.00 0.00 C ATOM 0 H TRP A 45 -0.080 -4.135 2.415 1.00 0.00 H new ATOM 0 HA TRP A 45 2.538 -4.374 1.440 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.563 -2.296 2.331 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.327 -3.024 3.907 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.208 -2.695 5.613 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.500 -1.580 5.468 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.450 -2.402 0.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.254 -0.594 3.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.333 -1.356 -0.460 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.220 -0.438 0.808 1.00 0.00 H new ATOM 722 N ASN A 46 2.274 -5.433 4.507 1.00 0.00 N ATOM 723 CA ASN A 46 2.914 -6.323 5.494 1.00 0.00 C ATOM 724 C ASN A 46 3.185 -7.686 4.866 1.00 0.00 C ATOM 725 O ASN A 46 4.200 -8.306 5.116 1.00 0.00 O ATOM 726 CB ASN A 46 1.937 -6.504 6.668 1.00 0.00 C ATOM 727 CG ASN A 46 1.976 -5.261 7.558 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.723 -4.334 7.317 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.185 -5.198 8.596 1.00 0.00 N ATOM 0 H ASN A 46 1.444 -4.939 4.837 1.00 0.00 H new ATOM 0 HA ASN A 46 3.857 -5.891 5.830 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.926 -6.664 6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.206 -7.388 7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.198 -4.374 9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.555 -5.972 8.805 1.00 0.00 H new ATOM 736 N ASN A 47 2.255 -8.121 4.055 1.00 0.00 N ATOM 737 CA ASN A 47 2.404 -9.431 3.385 1.00 0.00 C ATOM 738 C ASN A 47 3.236 -9.318 2.103 1.00 0.00 C ATOM 739 O ASN A 47 3.707 -10.311 1.584 1.00 0.00 O ATOM 740 CB ASN A 47 1.001 -9.931 3.015 1.00 0.00 C ATOM 741 CG ASN A 47 0.131 -9.977 4.275 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.622 -10.120 5.377 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.163 -9.860 4.155 1.00 0.00 N ATOM 0 H ASN A 47 1.397 -7.616 3.832 1.00 0.00 H new ATOM 0 HA ASN A 47 2.915 -10.117 4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.551 -9.271 2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.062 -10.922 2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.757 -9.889 4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.581 -9.740 3.232 1.00 0.00 H new ATOM 750 N THR A 48 3.400 -8.113 1.611 1.00 0.00 N ATOM 751 CA THR A 48 4.200 -7.943 0.364 1.00 0.00 C ATOM 752 C THR A 48 5.625 -8.439 0.573 1.00 0.00 C ATOM 753 O THR A 48 6.340 -7.947 1.423 1.00 0.00 O ATOM 754 CB THR A 48 4.237 -6.446 -0.008 1.00 0.00 C ATOM 755 OG1 THR A 48 2.902 -6.107 -0.323 1.00 0.00 O ATOM 756 CG2 THR A 48 5.015 -6.208 -1.325 1.00 0.00 C ATOM 0 H THR A 48 3.021 -7.256 2.013 1.00 0.00 H new ATOM 0 HA THR A 48 3.738 -8.522 -0.436 1.00 0.00 H new ATOM 0 HB THR A 48 4.693 -5.882 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.309 -6.414 0.394 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.021 -5.143 -1.557 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.040 -6.560 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.532 -6.753 -2.136 1.00 0.00 H new ATOM 764 N ALA A 49 6.012 -9.406 -0.213 1.00 0.00 N ATOM 765 CA ALA A 49 7.385 -9.959 -0.086 1.00 0.00 C ATOM 766 C ALA A 49 8.420 -8.851 0.098 1.00 0.00 C ATOM 767 O ALA A 49 8.305 -7.790 -0.475 1.00 0.00 O ATOM 768 CB ALA A 49 7.711 -10.727 -1.376 1.00 0.00 C ATOM 0 H ALA A 49 5.435 -9.835 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 49 7.422 -10.609 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.716 -11.143 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.992 -11.535 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.657 -10.048 -2.227 1.00 0.00 H new ATOM 774 N ALA A 50 9.410 -9.121 0.904 1.00 0.00 N ATOM 775 CA ALA A 50 10.451 -8.102 1.133 1.00 0.00 C ATOM 776 C ALA A 50 11.113 -7.708 -0.182 1.00 0.00 C ATOM 777 O ALA A 50 11.345 -6.546 -0.441 1.00 0.00 O ATOM 778 CB ALA A 50 11.517 -8.695 2.067 1.00 0.00 C ATOM 0 H ALA A 50 9.536 -9.999 1.407 1.00 0.00 H new ATOM 0 HA ALA A 50 9.994 -7.217 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.296 -7.954 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.056 -8.975 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.957 -9.578 1.603 1.00 0.00 H new ATOM 784 N ASP A 51 11.410 -8.690 -0.990 1.00 0.00 N ATOM 785 CA ASP A 51 12.052 -8.392 -2.286 1.00 0.00 C ATOM 786 C ASP A 51 11.183 -7.457 -3.117 1.00 0.00 C ATOM 787 O ASP A 51 11.671 -6.750 -3.973 1.00 0.00 O ATOM 788 CB ASP A 51 12.236 -9.710 -3.056 1.00 0.00 C ATOM 789 CG ASP A 51 13.146 -9.469 -4.264 1.00 0.00 C ATOM 790 OD1 ASP A 51 13.886 -8.500 -4.202 1.00 0.00 O ATOM 791 OD2 ASP A 51 13.052 -10.269 -5.180 1.00 0.00 O ATOM 0 H ASP A 51 11.234 -9.677 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 51 13.012 -7.909 -2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.671 -10.467 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.269 -10.090 -3.385 1.00 0.00 H new ATOM 796 N ASP A 52 9.903 -7.473 -2.849 1.00 0.00 N ATOM 797 CA ASP A 52 8.980 -6.590 -3.612 1.00 0.00 C ATOM 798 C ASP A 52 8.950 -5.190 -3.011 1.00 0.00 C ATOM 799 O ASP A 52 8.483 -4.256 -3.629 1.00 0.00 O ATOM 800 CB ASP A 52 7.571 -7.190 -3.540 1.00 0.00 C ATOM 801 CG ASP A 52 6.588 -6.262 -4.257 1.00 0.00 C ATOM 802 OD1 ASP A 52 6.197 -5.296 -3.623 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.285 -6.571 -5.397 1.00 0.00 O ATOM 0 H ASP A 52 9.462 -8.057 -2.138 1.00 0.00 H new ATOM 0 HA ASP A 52 9.324 -6.519 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.560 -8.177 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.272 -7.321 -2.500 1.00 0.00 H new ATOM 808 N LYS A 53 9.438 -5.073 -1.802 1.00 0.00 N ATOM 809 CA LYS A 53 9.450 -3.741 -1.138 1.00 0.00 C ATOM 810 C LYS A 53 10.667 -2.935 -1.590 1.00 0.00 C ATOM 811 O LYS A 53 10.748 -1.743 -1.376 1.00 0.00 O ATOM 812 CB LYS A 53 9.536 -3.961 0.382 1.00 0.00 C ATOM 813 CG LYS A 53 8.151 -4.345 0.914 1.00 0.00 C ATOM 814 CD LYS A 53 8.211 -4.460 2.444 1.00 0.00 C ATOM 815 CE LYS A 53 6.847 -4.931 2.983 1.00 0.00 C ATOM 816 NZ LYS A 53 7.009 -5.569 4.321 1.00 0.00 N ATOM 0 H LYS A 53 9.826 -5.839 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 53 8.545 -3.194 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.256 -4.747 0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.889 -3.054 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.416 -3.595 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.831 -5.292 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.991 -5.164 2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.472 -3.496 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.166 -4.083 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.399 -5.640 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.081 -5.881 4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.643 -6.390 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.417 -4.881 4.986 1.00 0.00 H new ATOM 830 N GLN A 54 11.589 -3.619 -2.202 1.00 0.00 N ATOM 831 CA GLN A 54 12.815 -2.956 -2.688 1.00 0.00 C ATOM 832 C GLN A 54 12.518 -1.622 -3.456 1.00 0.00 C ATOM 833 O GLN A 54 13.009 -0.588 -3.081 1.00 0.00 O ATOM 834 CB GLN A 54 13.557 -3.961 -3.615 1.00 0.00 C ATOM 835 CG GLN A 54 14.756 -4.584 -2.873 1.00 0.00 C ATOM 836 CD GLN A 54 15.403 -5.649 -3.763 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.035 -5.826 -4.906 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.371 -6.380 -3.277 1.00 0.00 N ATOM 0 H GLN A 54 11.540 -4.621 -2.386 1.00 0.00 H new ATOM 0 HA GLN A 54 13.430 -2.679 -1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.871 -4.745 -3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.902 -3.451 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.484 -3.812 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.426 -5.029 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.686 -6.237 -2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.812 -7.094 -3.857 1.00 0.00 H new ATOM 847 N PRO A 55 11.725 -1.669 -4.523 1.00 0.00 N ATOM 848 CA PRO A 55 11.419 -0.452 -5.275 1.00 0.00 C ATOM 849 C PRO A 55 10.956 0.690 -4.380 1.00 0.00 C ATOM 850 O PRO A 55 11.372 1.818 -4.541 1.00 0.00 O ATOM 851 CB PRO A 55 10.265 -0.862 -6.242 1.00 0.00 C ATOM 852 CG PRO A 55 10.096 -2.414 -6.131 1.00 0.00 C ATOM 853 CD PRO A 55 11.083 -2.899 -5.039 1.00 0.00 C ATOM 0 HA PRO A 55 12.308 -0.085 -5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.339 -0.354 -5.973 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.501 -0.573 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.071 -2.673 -5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.310 -2.895 -7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.561 -3.433 -4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.822 -3.585 -5.453 1.00 0.00 H new ATOM 861 N TYR A 56 10.117 0.376 -3.464 1.00 0.00 N ATOM 862 CA TYR A 56 9.612 1.430 -2.556 1.00 0.00 C ATOM 863 C TYR A 56 10.685 1.943 -1.612 1.00 0.00 C ATOM 864 O TYR A 56 11.027 3.109 -1.646 1.00 0.00 O ATOM 865 CB TYR A 56 8.475 0.844 -1.741 1.00 0.00 C ATOM 866 CG TYR A 56 7.302 0.555 -2.670 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.580 1.589 -3.198 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.929 -0.735 -2.947 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.478 1.344 -3.991 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.830 -0.995 -3.740 1.00 0.00 C ATOM 871 CZ TYR A 56 5.093 0.046 -4.272 1.00 0.00 C ATOM 872 OH TYR A 56 3.996 -0.204 -5.070 1.00 0.00 O ATOM 0 H TYR A 56 9.753 -0.562 -3.296 1.00 0.00 H new ATOM 0 HA TYR A 56 9.281 2.274 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.799 -0.072 -1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.174 1.540 -0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.875 2.607 -2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.501 -1.556 -2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.913 2.171 -4.395 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.545 -2.016 -3.946 1.00 0.00 H new ATOM 0 HH TYR A 56 3.872 -1.172 -5.162 1.00 0.00 H new ATOM 882 N GLU A 57 11.206 1.083 -0.781 1.00 0.00 N ATOM 883 CA GLU A 57 12.257 1.558 0.155 1.00 0.00 C ATOM 884 C GLU A 57 13.376 2.197 -0.633 1.00 0.00 C ATOM 885 O GLU A 57 13.875 3.252 -0.289 1.00 0.00 O ATOM 886 CB GLU A 57 12.788 0.356 0.976 1.00 0.00 C ATOM 887 CG GLU A 57 13.716 -0.503 0.130 1.00 0.00 C ATOM 888 CD GLU A 57 13.981 -1.825 0.854 1.00 0.00 C ATOM 889 OE1 GLU A 57 12.999 -2.434 1.244 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.149 -2.150 0.976 1.00 0.00 O ATOM 0 H GLU A 57 10.956 0.097 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 57 11.843 2.298 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.320 0.717 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.952 -0.245 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.267 -0.693 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.655 0.022 -0.048 1.00 0.00 H new ATOM 897 N LYS A 58 13.747 1.535 -1.675 1.00 0.00 N ATOM 898 CA LYS A 58 14.833 2.059 -2.531 1.00 0.00 C ATOM 899 C LYS A 58 14.493 3.480 -2.942 1.00 0.00 C ATOM 900 O LYS A 58 15.334 4.358 -2.918 1.00 0.00 O ATOM 901 CB LYS A 58 14.940 1.158 -3.797 1.00 0.00 C ATOM 902 CG LYS A 58 16.050 1.682 -4.736 1.00 0.00 C ATOM 903 CD LYS A 58 17.429 1.522 -4.060 1.00 0.00 C ATOM 904 CE LYS A 58 18.522 1.527 -5.135 1.00 0.00 C ATOM 905 NZ LYS A 58 18.399 0.326 -6.010 1.00 0.00 N ATOM 0 H LYS A 58 13.345 0.647 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 58 15.781 2.055 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.157 0.131 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.986 1.144 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.031 1.133 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.872 2.731 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.596 2.333 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.464 0.591 -3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.444 2.432 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.504 1.541 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.339 0.056 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.994 -0.461 -5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.777 0.545 -6.815 1.00 0.00 H new ATOM 919 N LYS A 59 13.256 3.681 -3.317 1.00 0.00 N ATOM 920 CA LYS A 59 12.838 5.030 -3.728 1.00 0.00 C ATOM 921 C LYS A 59 13.090 5.990 -2.596 1.00 0.00 C ATOM 922 O LYS A 59 13.663 7.042 -2.773 1.00 0.00 O ATOM 923 CB LYS A 59 11.328 5.005 -4.031 1.00 0.00 C ATOM 924 CG LYS A 59 10.950 6.283 -4.787 1.00 0.00 C ATOM 925 CD LYS A 59 9.425 6.388 -4.877 1.00 0.00 C ATOM 926 CE LYS A 59 9.055 7.632 -5.691 1.00 0.00 C ATOM 927 NZ LYS A 59 7.627 7.574 -6.112 1.00 0.00 N ATOM 0 H LYS A 59 12.529 2.966 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 59 13.397 5.343 -4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.078 4.127 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.759 4.934 -3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.356 7.155 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.384 6.269 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.014 5.495 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.993 6.450 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.229 8.528 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.697 7.703 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.393 8.425 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.472 6.729 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.018 7.528 -5.270 1.00 0.00 H new ATOM 941 N ALA A 60 12.637 5.610 -1.448 1.00 0.00 N ATOM 942 CA ALA A 60 12.832 6.471 -0.277 1.00 0.00 C ATOM 943 C ALA A 60 14.306 6.799 -0.106 1.00 0.00 C ATOM 944 O ALA A 60 14.667 7.930 0.133 1.00 0.00 O ATOM 945 CB ALA A 60 12.351 5.713 0.970 1.00 0.00 C ATOM 0 H ALA A 60 12.139 4.737 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 60 12.271 7.396 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.489 6.339 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.295 5.467 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.928 4.795 1.083 1.00 0.00 H new