USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=16 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 41:sc= 0.26 USER MOD Single : A 18 CYS SG : rot 180:sc= -5.96! 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+ 151:sc= -0.154 (180deg=-0.731) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0728) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.184) USER MOD Single : A 40 LYS NZ :NH3+ 153:sc= 0.128 (180deg=-0.406) USER MOD Single : A 44 MET CE :methyl -165:sc= -0.455 (180deg=-1.27) USER MOD Single : A 46 ASN : amide:sc= -0.0411 K(o=-0.041,f=-0.79) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.93 F(o=-2.8!,f=-1.9) USER MOD Single : A 48 THR OG1 : rot -5:sc= -1.43 USER MOD Single : A 53 LYS NZ :NH3+ -140:sc=-0.00498 (180deg=-1.67!) USER MOD Single : A 54 GLN : amide:sc= -1.77 K(o=-1.8,f=-6.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.608 USER MOD Single : A 58 LYS NZ :NH3+ -167:sc=-0.00382 (180deg=-0.225) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc=-0.00106 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.368 7.913 4.008 1.00 0.00 N ATOM 184 CA SER A 12 5.835 6.640 4.649 1.00 0.00 C ATOM 185 C SER A 12 6.194 5.621 3.562 1.00 0.00 C ATOM 186 O SER A 12 5.910 5.836 2.401 1.00 0.00 O ATOM 187 CB SER A 12 4.699 6.076 5.524 1.00 0.00 C ATOM 188 OG SER A 12 4.448 7.108 6.469 1.00 0.00 O ATOM 0 HA SER A 12 6.714 6.837 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.812 5.853 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.996 5.149 6.015 1.00 0.00 H new ATOM 0 HG SER A 12 4.485 7.979 6.020 1.00 0.00 H new ATOM 194 N ALA A 13 6.808 4.533 3.947 1.00 0.00 N ATOM 195 CA ALA A 13 7.180 3.516 2.930 1.00 0.00 C ATOM 196 C ALA A 13 5.962 2.929 2.270 1.00 0.00 C ATOM 197 O ALA A 13 5.798 2.998 1.068 1.00 0.00 O ATOM 198 CB ALA A 13 7.941 2.362 3.625 1.00 0.00 C ATOM 0 H ALA A 13 7.064 4.310 4.909 1.00 0.00 H new ATOM 0 HA ALA A 13 7.796 4.006 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.218 1.611 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.841 2.753 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.301 1.908 4.381 1.00 0.00 H new ATOM 204 N PHE A 14 5.125 2.367 3.070 1.00 0.00 N ATOM 205 CA PHE A 14 3.900 1.755 2.528 1.00 0.00 C ATOM 206 C PHE A 14 2.949 2.798 1.910 1.00 0.00 C ATOM 207 O PHE A 14 1.941 2.450 1.335 1.00 0.00 O ATOM 208 CB PHE A 14 3.233 0.923 3.683 1.00 0.00 C ATOM 209 CG PHE A 14 1.792 1.341 3.999 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.490 2.645 4.305 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.784 0.391 4.017 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.198 3.006 4.625 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.502 0.747 4.335 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.799 2.057 4.641 1.00 0.00 C ATOM 0 H PHE A 14 5.235 2.303 4.082 1.00 0.00 H new ATOM 0 HA PHE A 14 4.147 1.091 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.243 -0.132 3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.836 1.024 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.269 3.393 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.012 -0.637 3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.032 4.034 4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.282 0.000 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.811 2.339 4.893 1.00 0.00 H new ATOM 224 N PHE A 15 3.249 4.057 2.073 1.00 0.00 N ATOM 225 CA PHE A 15 2.341 5.067 1.473 1.00 0.00 C ATOM 226 C PHE A 15 2.587 5.057 -0.004 1.00 0.00 C ATOM 227 O PHE A 15 1.699 5.270 -0.803 1.00 0.00 O ATOM 228 CB PHE A 15 2.657 6.457 2.012 1.00 0.00 C ATOM 229 CG PHE A 15 1.624 7.435 1.450 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.332 7.448 1.945 1.00 0.00 C ATOM 231 CD2 PHE A 15 1.958 8.299 0.426 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.608 8.310 1.423 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.015 9.163 -0.095 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.266 9.167 0.403 1.00 0.00 C ATOM 0 H PHE A 15 4.057 4.420 2.579 1.00 0.00 H new ATOM 0 HA PHE A 15 1.305 4.830 1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.627 6.458 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.663 6.758 1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.058 6.778 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.963 8.299 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.614 8.313 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.285 9.837 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.003 9.842 -0.006 1.00 0.00 H new ATOM 244 N LEU A 16 3.816 4.815 -0.337 1.00 0.00 N ATOM 245 CA LEU A 16 4.195 4.770 -1.745 1.00 0.00 C ATOM 246 C LEU A 16 3.549 3.555 -2.353 1.00 0.00 C ATOM 247 O LEU A 16 3.321 3.477 -3.542 1.00 0.00 O ATOM 248 CB LEU A 16 5.723 4.594 -1.823 1.00 0.00 C ATOM 249 CG LEU A 16 6.420 5.633 -0.942 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.918 5.316 -0.910 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.200 7.025 -1.528 1.00 0.00 C ATOM 0 H LEU A 16 4.575 4.646 0.323 1.00 0.00 H new ATOM 0 HA LEU A 16 3.887 5.677 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.998 3.590 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.056 4.699 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 16 6.013 5.605 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.431 6.047 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.070 4.318 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.320 5.357 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.696 7.766 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.615 7.065 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.132 7.239 -1.567 1.00 0.00 H new ATOM 263 N PHE A 17 3.256 2.622 -1.488 1.00 0.00 N ATOM 264 CA PHE A 17 2.623 1.374 -1.921 1.00 0.00 C ATOM 265 C PHE A 17 1.109 1.571 -2.008 1.00 0.00 C ATOM 266 O PHE A 17 0.443 0.979 -2.823 1.00 0.00 O ATOM 267 CB PHE A 17 2.961 0.348 -0.848 1.00 0.00 C ATOM 268 CG PHE A 17 2.152 -0.906 -1.012 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.899 -0.998 -0.440 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.684 -1.993 -1.660 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.189 -2.168 -0.510 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.972 -3.165 -1.738 1.00 0.00 C ATOM 273 CZ PHE A 17 0.724 -3.251 -1.155 1.00 0.00 C ATOM 0 H PHE A 17 3.437 2.686 -0.486 1.00 0.00 H new ATOM 0 HA PHE A 17 2.973 1.055 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.023 0.106 -0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.776 0.776 0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.476 -0.143 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.664 -1.927 -2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.789 -2.236 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.388 -4.017 -2.254 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.168 -4.175 -1.208 1.00 0.00 H new ATOM 283 N CYS A 18 0.597 2.388 -1.134 1.00 0.00 N ATOM 284 CA CYS A 18 -0.856 2.650 -1.139 1.00 0.00 C ATOM 285 C CYS A 18 -1.331 3.127 -2.510 1.00 0.00 C ATOM 286 O CYS A 18 -2.171 2.508 -3.124 1.00 0.00 O ATOM 287 CB CYS A 18 -1.141 3.775 -0.121 1.00 0.00 C ATOM 288 SG CYS A 18 -2.830 4.426 -0.043 1.00 0.00 S ATOM 0 H CYS A 18 1.127 2.884 -0.417 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.378 1.727 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.877 3.406 0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.470 4.606 -0.341 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.894 5.358 0.861 1.00 0.00 H new ATOM 294 N SER A 19 -0.749 4.210 -2.971 1.00 0.00 N ATOM 295 CA SER A 19 -1.134 4.763 -4.282 1.00 0.00 C ATOM 296 C SER A 19 -1.283 3.672 -5.329 1.00 0.00 C ATOM 297 O SER A 19 -2.279 3.605 -6.019 1.00 0.00 O ATOM 298 CB SER A 19 -0.025 5.749 -4.711 1.00 0.00 C ATOM 299 OG SER A 19 -0.479 7.009 -4.232 1.00 0.00 O ATOM 0 H SER A 19 -0.020 4.729 -2.482 1.00 0.00 H new ATOM 0 HA SER A 19 -2.100 5.262 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.938 5.480 -4.276 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.105 5.757 -5.793 1.00 0.00 H new ATOM 0 HG SER A 19 0.175 7.702 -4.463 1.00 0.00 H new ATOM 305 N GLU A 20 -0.296 2.846 -5.430 1.00 0.00 N ATOM 306 CA GLU A 20 -0.371 1.757 -6.430 1.00 0.00 C ATOM 307 C GLU A 20 -1.439 0.730 -6.037 1.00 0.00 C ATOM 308 O GLU A 20 -2.147 0.220 -6.881 1.00 0.00 O ATOM 309 CB GLU A 20 1.033 1.036 -6.558 1.00 0.00 C ATOM 310 CG GLU A 20 2.055 1.650 -5.610 1.00 0.00 C ATOM 311 CD GLU A 20 2.444 3.049 -6.105 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.576 3.684 -6.679 1.00 0.00 O ATOM 313 OE2 GLU A 20 3.593 3.399 -5.887 1.00 0.00 O ATOM 0 H GLU A 20 0.556 2.873 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.642 2.196 -7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.921 -0.026 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.392 1.113 -7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.641 1.712 -4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.939 1.015 -5.552 1.00 0.00 H new ATOM 320 N TYR A 21 -1.532 0.440 -4.758 1.00 0.00 N ATOM 321 CA TYR A 21 -2.541 -0.549 -4.295 1.00 0.00 C ATOM 322 C TYR A 21 -3.825 0.107 -3.793 1.00 0.00 C ATOM 323 O TYR A 21 -4.603 -0.515 -3.106 1.00 0.00 O ATOM 324 CB TYR A 21 -1.902 -1.341 -3.150 1.00 0.00 C ATOM 325 CG TYR A 21 -0.951 -2.387 -3.719 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.344 -2.048 -4.058 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.364 -3.693 -3.869 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.213 -3.007 -4.534 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.495 -4.651 -4.347 1.00 0.00 C ATOM 330 CZ TYR A 21 0.799 -4.316 -4.683 1.00 0.00 C ATOM 331 OH TYR A 21 1.665 -5.270 -5.172 1.00 0.00 O ATOM 0 H TYR A 21 -0.953 0.847 -4.024 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.821 -1.184 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.361 -0.667 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.675 -1.825 -2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.678 -1.027 -3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.376 -3.968 -3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.225 -2.732 -4.792 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.831 -5.671 -4.459 1.00 0.00 H new ATOM 0 HH TYR A 21 1.209 -6.137 -5.210 1.00 0.00 H new ATOM 341 N ARG A 22 -4.037 1.336 -4.147 1.00 0.00 N ATOM 342 CA ARG A 22 -5.282 2.022 -3.684 1.00 0.00 C ATOM 343 C ARG A 22 -6.486 1.699 -4.601 1.00 0.00 C ATOM 344 O ARG A 22 -7.582 1.511 -4.120 1.00 0.00 O ATOM 345 CB ARG A 22 -5.063 3.581 -3.652 1.00 0.00 C ATOM 346 CG ARG A 22 -5.797 4.177 -2.428 1.00 0.00 C ATOM 347 CD ARG A 22 -5.571 5.691 -2.391 1.00 0.00 C ATOM 348 NE ARG A 22 -4.197 5.962 -1.883 1.00 0.00 N ATOM 349 CZ ARG A 22 -3.905 7.144 -1.405 1.00 0.00 C ATOM 350 NH1 ARG A 22 -4.829 8.066 -1.380 1.00 0.00 N ATOM 351 NH2 ARG A 22 -2.692 7.365 -0.975 1.00 0.00 N ATOM 0 H ARG A 22 -3.415 1.897 -4.730 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.502 1.655 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.998 3.809 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.439 4.031 -4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.863 3.958 -2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.428 3.720 -1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.695 6.115 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.311 6.167 -1.748 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.488 5.230 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.765 7.860 -1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.615 8.992 -1.010 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.993 6.623 -1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.443 8.280 -0.598 1.00 0.00 H new ATOM 365 N PRO A 23 -6.256 1.636 -5.921 1.00 0.00 N ATOM 366 CA PRO A 23 -7.334 1.340 -6.863 1.00 0.00 C ATOM 367 C PRO A 23 -7.636 -0.164 -6.908 1.00 0.00 C ATOM 368 O PRO A 23 -8.760 -0.567 -7.131 1.00 0.00 O ATOM 369 CB PRO A 23 -6.784 1.818 -8.243 1.00 0.00 C ATOM 370 CG PRO A 23 -5.247 2.069 -8.055 1.00 0.00 C ATOM 371 CD PRO A 23 -4.939 1.864 -6.550 1.00 0.00 C ATOM 0 HA PRO A 23 -8.265 1.832 -6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.962 1.066 -9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.288 2.729 -8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.665 1.379 -8.666 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.979 3.077 -8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.274 1.014 -6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.444 2.737 -6.125 1.00 0.00 H new ATOM 379 N LYS A 24 -6.622 -0.961 -6.697 1.00 0.00 N ATOM 380 CA LYS A 24 -6.825 -2.416 -6.725 1.00 0.00 C ATOM 381 C LYS A 24 -7.907 -2.810 -5.746 1.00 0.00 C ATOM 382 O LYS A 24 -8.895 -3.413 -6.113 1.00 0.00 O ATOM 383 CB LYS A 24 -5.508 -3.082 -6.318 1.00 0.00 C ATOM 384 CG LYS A 24 -4.367 -2.550 -7.203 1.00 0.00 C ATOM 385 CD LYS A 24 -4.712 -2.769 -8.690 1.00 0.00 C ATOM 386 CE LYS A 24 -3.424 -2.754 -9.520 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.575 -3.931 -9.183 1.00 0.00 N ATOM 0 H LYS A 24 -5.667 -0.656 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.128 -2.731 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.294 -2.877 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.588 -4.164 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.209 -1.489 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.436 -3.061 -6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.229 -3.720 -8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.390 -1.988 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.668 -2.766 -10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.872 -1.833 -9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.006 -4.197 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.944 -3.689 -8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.182 -4.730 -8.909 1.00 0.00 H new ATOM 401 N ILE A 25 -7.702 -2.466 -4.510 1.00 0.00 N ATOM 402 CA ILE A 25 -8.707 -2.809 -3.488 1.00 0.00 C ATOM 403 C ILE A 25 -9.943 -1.926 -3.674 1.00 0.00 C ATOM 404 O ILE A 25 -11.031 -2.420 -3.893 1.00 0.00 O ATOM 405 CB ILE A 25 -8.096 -2.579 -2.061 1.00 0.00 C ATOM 406 CG1 ILE A 25 -6.849 -1.680 -2.150 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.676 -3.954 -1.470 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.535 -1.072 -0.773 1.00 0.00 C ATOM 0 H ILE A 25 -6.883 -1.964 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.995 -3.855 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.841 -2.097 -1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.997 -2.261 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.015 -0.885 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.249 -3.808 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.550 -4.601 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.934 -4.418 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.651 -0.438 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.383 -0.475 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.348 -1.872 -0.056 1.00 0.00 H new ATOM 420 N LYS A 26 -9.752 -0.625 -3.596 1.00 0.00 N ATOM 421 CA LYS A 26 -10.908 0.286 -3.769 1.00 0.00 C ATOM 422 C LYS A 26 -11.652 -0.094 -5.033 1.00 0.00 C ATOM 423 O LYS A 26 -12.841 0.117 -5.152 1.00 0.00 O ATOM 424 CB LYS A 26 -10.390 1.742 -3.884 1.00 0.00 C ATOM 425 CG LYS A 26 -11.582 2.732 -3.952 1.00 0.00 C ATOM 426 CD LYS A 26 -12.171 2.952 -2.548 1.00 0.00 C ATOM 427 CE LYS A 26 -13.124 4.155 -2.586 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.354 5.432 -2.586 1.00 0.00 N ATOM 0 H LYS A 26 -8.855 -0.171 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.580 0.206 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.759 1.980 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.771 1.846 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.251 3.683 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.350 2.342 -4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.704 2.060 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.372 3.128 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.751 4.102 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.791 4.126 -1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.000 6.227 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.630 5.401 -1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.894 5.560 -3.510 1.00 0.00 H new ATOM 442 N GLY A 27 -10.929 -0.668 -5.959 1.00 0.00 N ATOM 443 CA GLY A 27 -11.569 -1.076 -7.223 1.00 0.00 C ATOM 444 C GLY A 27 -12.603 -2.141 -6.907 1.00 0.00 C ATOM 445 O GLY A 27 -13.777 -1.975 -7.166 1.00 0.00 O ATOM 0 H GLY A 27 -9.931 -0.867 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.040 -0.219 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.825 -1.463 -7.919 1.00 0.00 H new ATOM 449 N GLU A 28 -12.134 -3.221 -6.352 1.00 0.00 N ATOM 450 CA GLU A 28 -13.041 -4.307 -6.002 1.00 0.00 C ATOM 451 C GLU A 28 -13.891 -3.890 -4.811 1.00 0.00 C ATOM 452 O GLU A 28 -14.820 -4.573 -4.427 1.00 0.00 O ATOM 453 CB GLU A 28 -12.200 -5.520 -5.606 1.00 0.00 C ATOM 454 CG GLU A 28 -11.242 -5.868 -6.741 1.00 0.00 C ATOM 455 CD GLU A 28 -10.438 -7.109 -6.349 1.00 0.00 C ATOM 456 OE1 GLU A 28 -11.083 -8.067 -5.956 1.00 0.00 O ATOM 457 OE2 GLU A 28 -9.226 -7.026 -6.460 1.00 0.00 O ATOM 0 H GLU A 28 -11.152 -3.385 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.688 -4.544 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.640 -5.306 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.848 -6.370 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.798 -6.054 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.572 -5.031 -6.938 1.00 0.00 H new ATOM 464 N HIS A 29 -13.543 -2.753 -4.243 1.00 0.00 N ATOM 465 CA HIS A 29 -14.290 -2.226 -3.066 1.00 0.00 C ATOM 466 C HIS A 29 -14.583 -0.726 -3.247 1.00 0.00 C ATOM 467 O HIS A 29 -14.012 0.103 -2.565 1.00 0.00 O ATOM 468 CB HIS A 29 -13.389 -2.379 -1.841 1.00 0.00 C ATOM 469 CG HIS A 29 -13.236 -3.858 -1.496 1.00 0.00 C ATOM 470 ND1 HIS A 29 -13.999 -4.494 -0.746 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.274 -4.764 -1.898 1.00 0.00 C ATOM 472 CE1 HIS A 29 -13.636 -5.699 -0.624 1.00 0.00 C ATOM 473 NE2 HIS A 29 -12.537 -5.973 -1.331 1.00 0.00 N ATOM 0 H HIS A 29 -12.766 -2.169 -4.553 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.229 -2.769 -2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.412 -1.939 -2.039 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.815 -1.840 -0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.446 -4.548 -2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.156 -6.425 -0.016 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.030 -6.853 -1.422 1.00 0.00 H new ATOM 481 N PRO A 30 -15.477 -0.401 -4.170 1.00 0.00 N ATOM 482 CA PRO A 30 -15.825 0.996 -4.423 1.00 0.00 C ATOM 483 C PRO A 30 -16.543 1.630 -3.215 1.00 0.00 C ATOM 484 O PRO A 30 -17.746 1.805 -3.220 1.00 0.00 O ATOM 485 CB PRO A 30 -16.764 0.953 -5.682 1.00 0.00 C ATOM 486 CG PRO A 30 -17.021 -0.559 -6.012 1.00 0.00 C ATOM 487 CD PRO A 30 -16.182 -1.394 -5.009 1.00 0.00 C ATOM 0 HA PRO A 30 -14.940 1.609 -4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.703 1.469 -5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.298 1.458 -6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.080 -0.798 -5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.730 -0.784 -7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.819 -2.039 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.476 -2.041 -5.530 1.00 0.00 H new ATOM 495 N GLY A 31 -15.786 1.959 -2.193 1.00 0.00 N ATOM 496 CA GLY A 31 -16.421 2.583 -0.989 1.00 0.00 C ATOM 497 C GLY A 31 -15.620 2.308 0.291 1.00 0.00 C ATOM 498 O GLY A 31 -16.195 2.108 1.342 1.00 0.00 O ATOM 0 H GLY A 31 -14.776 1.826 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.505 3.659 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.434 2.198 -0.873 1.00 0.00 H new ATOM 502 N LEU A 32 -14.314 2.294 0.190 1.00 0.00 N ATOM 503 CA LEU A 32 -13.503 2.031 1.416 1.00 0.00 C ATOM 504 C LEU A 32 -13.371 3.287 2.252 1.00 0.00 C ATOM 505 O LEU A 32 -13.384 4.389 1.744 1.00 0.00 O ATOM 506 CB LEU A 32 -12.051 1.623 1.020 1.00 0.00 C ATOM 507 CG LEU A 32 -11.946 0.189 0.437 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.469 -0.252 0.534 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.785 -0.805 1.246 1.00 0.00 C ATOM 0 H LEU A 32 -13.785 2.450 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.008 1.241 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.670 2.333 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.409 1.697 1.898 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.309 0.200 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.363 -1.259 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.846 0.435 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.155 -0.244 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.690 -1.800 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.432 -0.824 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.831 -0.499 1.226 1.00 0.00 H new ATOM 521 N SER A 33 -13.245 3.086 3.534 1.00 0.00 N ATOM 522 CA SER A 33 -13.102 4.225 4.454 1.00 0.00 C ATOM 523 C SER A 33 -11.620 4.462 4.695 1.00 0.00 C ATOM 524 O SER A 33 -10.832 3.544 4.609 1.00 0.00 O ATOM 525 CB SER A 33 -13.778 3.863 5.787 1.00 0.00 C ATOM 526 OG SER A 33 -14.989 3.232 5.401 1.00 0.00 O ATOM 0 H SER A 33 -13.236 2.168 3.979 1.00 0.00 H new ATOM 0 HA SER A 33 -13.561 5.120 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.154 3.197 6.383 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.966 4.750 6.392 1.00 0.00 H new ATOM 0 HG SER A 33 -15.488 2.964 6.201 1.00 0.00 H new ATOM 532 N ILE A 34 -11.250 5.671 4.981 1.00 0.00 N ATOM 533 CA ILE A 34 -9.809 5.937 5.222 1.00 0.00 C ATOM 534 C ILE A 34 -9.219 4.902 6.176 1.00 0.00 C ATOM 535 O ILE A 34 -8.079 4.505 6.039 1.00 0.00 O ATOM 536 CB ILE A 34 -9.668 7.333 5.855 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.174 8.428 4.882 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.175 7.579 6.205 1.00 0.00 C ATOM 539 CD1 ILE A 34 -9.100 8.789 3.830 1.00 0.00 C ATOM 0 H ILE A 34 -11.870 6.477 5.058 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.275 5.883 4.273 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.273 7.380 6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.076 8.081 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.447 9.320 5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.064 8.566 6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.837 6.819 6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.575 7.524 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.488 9.560 3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.208 9.160 4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.846 7.902 3.250 1.00 0.00 H new ATOM 551 N GLY A 35 -10.004 4.488 7.124 1.00 0.00 N ATOM 552 CA GLY A 35 -9.500 3.481 8.092 1.00 0.00 C ATOM 553 C GLY A 35 -9.357 2.114 7.419 1.00 0.00 C ATOM 554 O GLY A 35 -8.550 1.310 7.822 1.00 0.00 O ATOM 0 H GLY A 35 -10.964 4.799 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.536 3.800 8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.184 3.407 8.937 1.00 0.00 H new ATOM 558 N ASP A 36 -10.146 1.883 6.399 1.00 0.00 N ATOM 559 CA ASP A 36 -10.070 0.574 5.688 1.00 0.00 C ATOM 560 C ASP A 36 -8.990 0.579 4.626 1.00 0.00 C ATOM 561 O ASP A 36 -8.225 -0.356 4.502 1.00 0.00 O ATOM 562 CB ASP A 36 -11.429 0.331 4.998 1.00 0.00 C ATOM 563 CG ASP A 36 -11.660 -1.174 4.822 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.674 -1.886 4.905 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.811 -1.524 4.615 1.00 0.00 O ATOM 0 H ASP A 36 -10.834 2.540 6.032 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.834 -0.206 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.232 0.764 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.448 0.827 4.028 1.00 0.00 H new ATOM 570 N VAL A 37 -8.950 1.630 3.883 1.00 0.00 N ATOM 571 CA VAL A 37 -7.937 1.727 2.822 1.00 0.00 C ATOM 572 C VAL A 37 -6.564 1.463 3.388 1.00 0.00 C ATOM 573 O VAL A 37 -5.898 0.532 3.010 1.00 0.00 O ATOM 574 CB VAL A 37 -7.975 3.168 2.249 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.805 3.354 1.287 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.293 3.391 1.506 1.00 0.00 C ATOM 0 H VAL A 37 -9.578 2.430 3.965 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.147 0.992 2.045 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.898 3.889 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.826 4.365 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.867 3.196 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.885 2.634 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.317 4.404 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.376 2.675 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.127 3.254 2.195 1.00 0.00 H new ATOM 586 N ALA A 38 -6.187 2.275 4.298 1.00 0.00 N ATOM 587 CA ALA A 38 -4.867 2.113 4.914 1.00 0.00 C ATOM 588 C ALA A 38 -4.705 0.753 5.608 1.00 0.00 C ATOM 589 O ALA A 38 -3.638 0.173 5.571 1.00 0.00 O ATOM 590 CB ALA A 38 -4.696 3.241 5.914 1.00 0.00 C ATOM 0 H ALA A 38 -6.740 3.056 4.650 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.101 2.149 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.722 3.156 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.762 4.198 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.480 3.181 6.668 1.00 0.00 H new ATOM 596 N LYS A 39 -5.752 0.256 6.226 1.00 0.00 N ATOM 597 CA LYS A 39 -5.620 -1.060 6.904 1.00 0.00 C ATOM 598 C LYS A 39 -5.362 -2.166 5.877 1.00 0.00 C ATOM 599 O LYS A 39 -4.357 -2.847 5.935 1.00 0.00 O ATOM 600 CB LYS A 39 -6.942 -1.356 7.683 1.00 0.00 C ATOM 601 CG LYS A 39 -6.789 -0.958 9.177 1.00 0.00 C ATOM 602 CD LYS A 39 -6.106 0.438 9.310 1.00 0.00 C ATOM 603 CE LYS A 39 -6.632 1.150 10.568 1.00 0.00 C ATOM 604 NZ LYS A 39 -6.381 0.315 11.780 1.00 0.00 N ATOM 0 H LYS A 39 -6.669 0.698 6.287 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.777 -1.031 7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.768 -0.803 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.188 -2.415 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.769 -0.936 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.197 -1.709 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.024 0.321 9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.312 1.041 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.143 2.118 10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.700 1.342 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.518 0.893 12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.045 -0.486 11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.405 -0.044 11.758 1.00 0.00 H new ATOM 618 N LYS A 40 -6.273 -2.324 4.967 1.00 0.00 N ATOM 619 CA LYS A 40 -6.101 -3.374 3.932 1.00 0.00 C ATOM 620 C LYS A 40 -4.732 -3.231 3.294 1.00 0.00 C ATOM 621 O LYS A 40 -4.051 -4.197 3.040 1.00 0.00 O ATOM 622 CB LYS A 40 -7.195 -3.181 2.857 1.00 0.00 C ATOM 623 CG LYS A 40 -8.465 -3.932 3.287 1.00 0.00 C ATOM 624 CD LYS A 40 -9.584 -3.668 2.268 1.00 0.00 C ATOM 625 CE LYS A 40 -10.669 -4.741 2.415 1.00 0.00 C ATOM 626 NZ LYS A 40 -11.045 -4.912 3.846 1.00 0.00 N ATOM 0 H LYS A 40 -7.129 -1.773 4.894 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.185 -4.364 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.411 -2.121 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.846 -3.555 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.264 -5.001 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.776 -3.604 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.011 -2.678 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.180 -3.680 1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.547 -4.460 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.309 -5.688 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.025 -5.255 3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.407 -5.601 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.966 -3.999 4.337 1.00 0.00 H new ATOM 640 N LEU A 41 -4.367 -2.030 3.020 1.00 0.00 N ATOM 641 CA LEU A 41 -3.054 -1.819 2.408 1.00 0.00 C ATOM 642 C LEU A 41 -2.000 -2.283 3.361 1.00 0.00 C ATOM 643 O LEU A 41 -0.967 -2.793 2.972 1.00 0.00 O ATOM 644 CB LEU A 41 -2.861 -0.322 2.166 1.00 0.00 C ATOM 645 CG LEU A 41 -3.740 0.132 1.009 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.715 1.650 0.979 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.194 -0.426 -0.326 1.00 0.00 C ATOM 0 H LEU A 41 -4.918 -1.189 3.192 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.985 -2.368 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.113 0.237 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.815 -0.112 1.944 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.758 -0.234 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.337 2.008 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.099 2.039 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.691 1.994 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.831 -0.095 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.179 -0.062 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.187 -1.515 -0.289 1.00 0.00 H new ATOM 659 N GLY A 42 -2.285 -2.098 4.608 1.00 0.00 N ATOM 660 CA GLY A 42 -1.333 -2.509 5.633 1.00 0.00 C ATOM 661 C GLY A 42 -1.222 -4.036 5.643 1.00 0.00 C ATOM 662 O GLY A 42 -0.192 -4.589 5.974 1.00 0.00 O ATOM 0 H GLY A 42 -3.146 -1.675 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.357 -2.064 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.657 -2.151 6.610 1.00 0.00 H new ATOM 666 N GLU A 43 -2.304 -4.684 5.273 1.00 0.00 N ATOM 667 CA GLU A 43 -2.303 -6.153 5.246 1.00 0.00 C ATOM 668 C GLU A 43 -1.495 -6.661 4.055 1.00 0.00 C ATOM 669 O GLU A 43 -0.599 -7.467 4.210 1.00 0.00 O ATOM 670 CB GLU A 43 -3.762 -6.623 5.108 1.00 0.00 C ATOM 671 CG GLU A 43 -4.462 -6.484 6.461 1.00 0.00 C ATOM 672 CD GLU A 43 -5.899 -7.003 6.347 1.00 0.00 C ATOM 673 OE1 GLU A 43 -6.032 -8.128 5.893 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.780 -6.245 6.719 1.00 0.00 O ATOM 0 H GLU A 43 -3.180 -4.244 4.991 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.853 -6.541 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.279 -6.029 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.793 -7.660 4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.920 -7.045 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.465 -5.440 6.776 1.00 0.00 H new ATOM 681 N MET A 44 -1.831 -6.180 2.885 1.00 0.00 N ATOM 682 CA MET A 44 -1.093 -6.623 1.676 1.00 0.00 C ATOM 683 C MET A 44 0.369 -6.234 1.785 1.00 0.00 C ATOM 684 O MET A 44 1.250 -7.030 1.528 1.00 0.00 O ATOM 685 CB MET A 44 -1.711 -5.930 0.445 1.00 0.00 C ATOM 686 CG MET A 44 -3.025 -6.634 0.099 1.00 0.00 C ATOM 687 SD MET A 44 -4.045 -5.906 -1.202 1.00 0.00 S ATOM 688 CE MET A 44 -4.131 -4.248 -0.496 1.00 0.00 C ATOM 0 H MET A 44 -2.579 -5.506 2.720 1.00 0.00 H new ATOM 0 HA MET A 44 -1.164 -7.707 1.581 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.890 -4.875 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.024 -5.975 -0.400 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.791 -7.658 -0.191 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.626 -6.689 1.007 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.927 -3.685 -0.985 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.339 -4.318 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.180 -3.738 -0.648 1.00 0.00 H new ATOM 698 N TRP A 45 0.599 -5.013 2.162 1.00 0.00 N ATOM 699 CA TRP A 45 1.991 -4.537 2.301 1.00 0.00 C ATOM 700 C TRP A 45 2.774 -5.500 3.156 1.00 0.00 C ATOM 701 O TRP A 45 3.744 -6.085 2.722 1.00 0.00 O ATOM 702 CB TRP A 45 1.926 -3.175 2.995 1.00 0.00 C ATOM 703 CG TRP A 45 3.307 -2.710 3.467 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.625 -2.558 4.742 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.265 -2.260 2.685 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.826 -1.977 4.706 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.307 -1.746 3.438 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.328 -2.192 1.311 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.388 -1.170 2.818 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.417 -1.616 0.695 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.438 -1.102 1.449 1.00 0.00 C ATOM 0 H TRP A 45 -0.121 -4.324 2.380 1.00 0.00 H new ATOM 0 HA TRP A 45 2.479 -4.463 1.329 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.509 -2.437 2.309 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.251 -3.234 3.849 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.047 -2.839 5.610 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.344 -1.725 5.548 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.521 -2.592 0.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.199 -0.770 3.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.466 -1.570 -0.383 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.286 -0.641 0.964 1.00 0.00 H new ATOM 722 N ASN A 46 2.341 -5.636 4.364 1.00 0.00 N ATOM 723 CA ASN A 46 3.036 -6.558 5.282 1.00 0.00 C ATOM 724 C ASN A 46 3.201 -7.928 4.614 1.00 0.00 C ATOM 725 O ASN A 46 4.220 -8.574 4.756 1.00 0.00 O ATOM 726 CB ASN A 46 2.170 -6.710 6.569 1.00 0.00 C ATOM 727 CG ASN A 46 2.603 -5.670 7.610 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.207 -4.667 7.287 1.00 0.00 O ATOM 729 ND2 ASN A 46 2.316 -5.874 8.867 1.00 0.00 N ATOM 0 H ASN A 46 1.536 -5.149 4.757 1.00 0.00 H new ATOM 0 HA ASN A 46 4.022 -6.165 5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.115 -6.579 6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.281 -7.715 6.977 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.599 -5.193 9.572 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.809 -6.714 9.144 1.00 0.00 H new ATOM 736 N ASN A 47 2.184 -8.337 3.889 1.00 0.00 N ATOM 737 CA ASN A 47 2.249 -9.652 3.204 1.00 0.00 C ATOM 738 C ASN A 47 2.984 -9.547 1.867 1.00 0.00 C ATOM 739 O ASN A 47 2.823 -10.385 1.001 1.00 0.00 O ATOM 740 CB ASN A 47 0.811 -10.126 2.939 1.00 0.00 C ATOM 741 CG ASN A 47 0.071 -10.272 4.271 1.00 0.00 C ATOM 742 OD1 ASN A 47 -1.152 -9.827 4.369 1.00 0.00 O flip ATOM 743 ND2 ASN A 47 0.599 -10.793 5.234 1.00 0.00 N flip ATOM 0 H ASN A 47 1.320 -7.814 3.748 1.00 0.00 H new ATOM 0 HA ASN A 47 2.790 -10.353 3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.293 -9.412 2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.822 -11.079 2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.555 -11.143 5.164 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.086 -10.880 6.112 1.00 0.00 H new ATOM 750 N THR A 48 3.782 -8.514 1.719 1.00 0.00 N ATOM 751 CA THR A 48 4.543 -8.332 0.439 1.00 0.00 C ATOM 752 C THR A 48 5.984 -8.807 0.598 1.00 0.00 C ATOM 753 O THR A 48 6.694 -8.362 1.478 1.00 0.00 O ATOM 754 CB THR A 48 4.553 -6.829 0.092 1.00 0.00 C ATOM 755 OG1 THR A 48 3.225 -6.400 0.308 1.00 0.00 O ATOM 756 CG2 THR A 48 4.805 -6.582 -1.428 1.00 0.00 C ATOM 0 H THR A 48 3.939 -7.794 2.424 1.00 0.00 H new ATOM 0 HA THR A 48 4.066 -8.915 -0.349 1.00 0.00 H new ATOM 0 HB THR A 48 5.323 -6.326 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.664 -7.172 0.533 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.804 -5.510 -1.628 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.770 -7.003 -1.710 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.017 -7.060 -2.010 1.00 0.00 H new ATOM 764 N ALA A 49 6.387 -9.706 -0.260 1.00 0.00 N ATOM 765 CA ALA A 49 7.773 -10.227 -0.180 1.00 0.00 C ATOM 766 C ALA A 49 8.776 -9.094 -0.003 1.00 0.00 C ATOM 767 O ALA A 49 8.665 -8.061 -0.632 1.00 0.00 O ATOM 768 CB ALA A 49 8.085 -10.959 -1.495 1.00 0.00 C ATOM 0 H ALA A 49 5.815 -10.098 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 49 7.852 -10.896 0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.101 -11.352 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.382 -11.781 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.993 -10.263 -2.329 1.00 0.00 H new ATOM 774 N ALA A 50 9.737 -9.303 0.857 1.00 0.00 N ATOM 775 CA ALA A 50 10.746 -8.249 1.079 1.00 0.00 C ATOM 776 C ALA A 50 11.319 -7.782 -0.250 1.00 0.00 C ATOM 777 O ALA A 50 11.453 -6.599 -0.492 1.00 0.00 O ATOM 778 CB ALA A 50 11.883 -8.830 1.932 1.00 0.00 C ATOM 0 H ALA A 50 9.860 -10.153 1.407 1.00 0.00 H new ATOM 0 HA ALA A 50 10.279 -7.403 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.637 -8.062 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.484 -9.168 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.336 -9.672 1.409 1.00 0.00 H new ATOM 784 N ASP A 51 11.647 -8.726 -1.089 1.00 0.00 N ATOM 785 CA ASP A 51 12.209 -8.367 -2.402 1.00 0.00 C ATOM 786 C ASP A 51 11.308 -7.369 -3.111 1.00 0.00 C ATOM 787 O ASP A 51 11.761 -6.585 -3.921 1.00 0.00 O ATOM 788 CB ASP A 51 12.300 -9.645 -3.254 1.00 0.00 C ATOM 789 CG ASP A 51 12.938 -9.314 -4.605 1.00 0.00 C ATOM 790 OD1 ASP A 51 12.248 -8.681 -5.389 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.077 -9.713 -4.777 1.00 0.00 O ATOM 0 H ASP A 51 11.547 -9.726 -0.914 1.00 0.00 H new ATOM 0 HA ASP A 51 13.193 -7.918 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.892 -10.399 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.306 -10.067 -3.403 1.00 0.00 H new ATOM 796 N ASP A 52 10.038 -7.415 -2.790 1.00 0.00 N ATOM 797 CA ASP A 52 9.081 -6.473 -3.433 1.00 0.00 C ATOM 798 C ASP A 52 9.039 -5.147 -2.683 1.00 0.00 C ATOM 799 O ASP A 52 8.671 -4.130 -3.238 1.00 0.00 O ATOM 800 CB ASP A 52 7.683 -7.104 -3.401 1.00 0.00 C ATOM 801 CG ASP A 52 6.719 -6.230 -4.208 1.00 0.00 C ATOM 802 OD1 ASP A 52 7.226 -5.471 -5.019 1.00 0.00 O ATOM 803 OD2 ASP A 52 5.531 -6.370 -3.969 1.00 0.00 O ATOM 0 H ASP A 52 9.629 -8.061 -2.115 1.00 0.00 H new ATOM 0 HA ASP A 52 9.402 -6.284 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.716 -8.111 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.335 -7.196 -2.372 1.00 0.00 H new ATOM 808 N LYS A 53 9.420 -5.177 -1.428 1.00 0.00 N ATOM 809 CA LYS A 53 9.411 -3.927 -0.631 1.00 0.00 C ATOM 810 C LYS A 53 10.665 -3.123 -0.924 1.00 0.00 C ATOM 811 O LYS A 53 10.739 -1.943 -0.648 1.00 0.00 O ATOM 812 CB LYS A 53 9.404 -4.303 0.865 1.00 0.00 C ATOM 813 CG LYS A 53 8.001 -4.771 1.275 1.00 0.00 C ATOM 814 CD LYS A 53 7.909 -4.791 2.801 1.00 0.00 C ATOM 815 CE LYS A 53 6.579 -5.419 3.215 1.00 0.00 C ATOM 816 NZ LYS A 53 6.521 -5.586 4.696 1.00 0.00 N ATOM 0 H LYS A 53 9.733 -6.011 -0.931 1.00 0.00 H new ATOM 0 HA LYS A 53 8.532 -3.335 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.131 -5.093 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.702 -3.444 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.245 -4.103 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.803 -5.765 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.739 -5.359 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.985 -3.778 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.753 -4.791 2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.460 -6.387 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.075 -6.497 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.485 -5.565 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.963 -4.813 5.111 1.00 0.00 H new ATOM 830 N GLN A 54 11.630 -3.792 -1.485 1.00 0.00 N ATOM 831 CA GLN A 54 12.895 -3.128 -1.817 1.00 0.00 C ATOM 832 C GLN A 54 12.679 -1.844 -2.671 1.00 0.00 C ATOM 833 O GLN A 54 13.053 -0.778 -2.265 1.00 0.00 O ATOM 834 CB GLN A 54 13.783 -4.148 -2.584 1.00 0.00 C ATOM 835 CG GLN A 54 14.874 -4.709 -1.651 1.00 0.00 C ATOM 836 CD GLN A 54 14.216 -5.504 -0.521 1.00 0.00 C ATOM 837 OE1 GLN A 54 13.387 -4.998 0.210 1.00 0.00 O ATOM 838 NE2 GLN A 54 14.558 -6.751 -0.346 1.00 0.00 N ATOM 0 H GLN A 54 11.585 -4.782 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 54 13.381 -2.807 -0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.167 -4.962 -2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.244 -3.665 -3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.555 -5.349 -2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.470 -3.895 -1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.253 -7.180 -0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.130 -7.297 0.402 1.00 0.00 H new ATOM 847 N PRO A 55 12.076 -1.960 -3.843 1.00 0.00 N ATOM 848 CA PRO A 55 11.862 -0.783 -4.665 1.00 0.00 C ATOM 849 C PRO A 55 11.232 0.356 -3.885 1.00 0.00 C ATOM 850 O PRO A 55 11.676 1.464 -3.958 1.00 0.00 O ATOM 851 CB PRO A 55 10.890 -1.251 -5.792 1.00 0.00 C ATOM 852 CG PRO A 55 10.715 -2.797 -5.639 1.00 0.00 C ATOM 853 CD PRO A 55 11.562 -3.226 -4.416 1.00 0.00 C ATOM 0 HA PRO A 55 12.809 -0.400 -5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.929 -0.745 -5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.293 -1.005 -6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.666 -3.054 -5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.047 -3.314 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.959 -3.772 -3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.378 -3.885 -4.713 1.00 0.00 H new ATOM 861 N TYR A 56 10.239 0.044 -3.133 1.00 0.00 N ATOM 862 CA TYR A 56 9.562 1.102 -2.343 1.00 0.00 C ATOM 863 C TYR A 56 10.469 1.722 -1.304 1.00 0.00 C ATOM 864 O TYR A 56 10.778 2.894 -1.372 1.00 0.00 O ATOM 865 CB TYR A 56 8.377 0.475 -1.624 1.00 0.00 C ATOM 866 CG TYR A 56 7.309 0.116 -2.641 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.554 1.102 -3.214 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.050 -1.195 -2.949 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.530 0.786 -4.085 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.035 -1.526 -3.819 1.00 0.00 C ATOM 871 CZ TYR A 56 5.264 -0.539 -4.397 1.00 0.00 C ATOM 872 OH TYR A 56 4.247 -0.868 -5.271 1.00 0.00 O ATOM 0 H TYR A 56 9.859 -0.896 -3.024 1.00 0.00 H new ATOM 0 HA TYR A 56 9.257 1.889 -3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.695 -0.416 -1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.975 1.170 -0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.760 2.137 -2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.649 -1.976 -2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.935 1.573 -4.524 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.842 -2.563 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 56 4.205 -1.842 -5.373 1.00 0.00 H new ATOM 882 N GLU A 57 10.884 0.939 -0.361 1.00 0.00 N ATOM 883 CA GLU A 57 11.771 1.505 0.681 1.00 0.00 C ATOM 884 C GLU A 57 12.974 2.155 0.034 1.00 0.00 C ATOM 885 O GLU A 57 13.387 3.238 0.401 1.00 0.00 O ATOM 886 CB GLU A 57 12.216 0.364 1.628 1.00 0.00 C ATOM 887 CG GLU A 57 13.297 -0.490 0.979 1.00 0.00 C ATOM 888 CD GLU A 57 13.518 -1.759 1.814 1.00 0.00 C ATOM 889 OE1 GLU A 57 12.801 -1.896 2.793 1.00 0.00 O ATOM 890 OE2 GLU A 57 14.390 -2.518 1.425 1.00 0.00 O ATOM 0 H GLU A 57 10.654 -0.050 -0.264 1.00 0.00 H new ATOM 0 HA GLU A 57 11.238 2.264 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.591 0.785 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.358 -0.259 1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.004 -0.757 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.226 0.075 0.904 1.00 0.00 H new ATOM 897 N LYS A 58 13.505 1.476 -0.915 1.00 0.00 N ATOM 898 CA LYS A 58 14.685 2.006 -1.626 1.00 0.00 C ATOM 899 C LYS A 58 14.342 3.304 -2.357 1.00 0.00 C ATOM 900 O LYS A 58 15.140 4.222 -2.391 1.00 0.00 O ATOM 901 CB LYS A 58 15.166 0.950 -2.655 1.00 0.00 C ATOM 902 CG LYS A 58 16.566 1.345 -3.194 1.00 0.00 C ATOM 903 CD LYS A 58 17.658 0.776 -2.269 1.00 0.00 C ATOM 904 CE LYS A 58 19.004 1.416 -2.618 1.00 0.00 C ATOM 905 NZ LYS A 58 19.336 1.186 -4.053 1.00 0.00 N ATOM 0 H LYS A 58 13.174 0.567 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 58 15.470 2.216 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.210 -0.034 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.455 0.880 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.698 0.963 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.652 2.430 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.407 0.975 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.718 -0.307 -2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.968 2.486 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.787 0.997 -1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.334 1.427 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.176 0.186 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.730 1.785 -4.650 1.00 0.00 H new ATOM 919 N LYS A 59 13.160 3.369 -2.932 1.00 0.00 N ATOM 920 CA LYS A 59 12.781 4.607 -3.651 1.00 0.00 C ATOM 921 C LYS A 59 12.813 5.774 -2.697 1.00 0.00 C ATOM 922 O LYS A 59 13.443 6.778 -2.946 1.00 0.00 O ATOM 923 CB LYS A 59 11.341 4.466 -4.197 1.00 0.00 C ATOM 924 CG LYS A 59 11.085 5.583 -5.219 1.00 0.00 C ATOM 925 CD LYS A 59 9.713 5.366 -5.891 1.00 0.00 C ATOM 926 CE LYS A 59 9.672 6.122 -7.225 1.00 0.00 C ATOM 927 NZ LYS A 59 10.460 5.394 -8.260 1.00 0.00 N ATOM 0 H LYS A 59 12.460 2.627 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 59 13.481 4.771 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.209 3.490 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.621 4.529 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.110 6.554 -4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.873 5.588 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.542 4.303 -6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.916 5.718 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.639 6.232 -7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.074 7.127 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.198 5.742 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.475 5.556 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.258 4.376 -8.198 1.00 0.00 H new ATOM 941 N ALA A 60 12.126 5.617 -1.619 1.00 0.00 N ATOM 942 CA ALA A 60 12.091 6.696 -0.620 1.00 0.00 C ATOM 943 C ALA A 60 13.501 7.181 -0.281 1.00 0.00 C ATOM 944 O ALA A 60 13.721 8.357 -0.103 1.00 0.00 O ATOM 945 CB ALA A 60 11.438 6.149 0.661 1.00 0.00 C ATOM 0 H ALA A 60 11.585 4.785 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 60 11.525 7.534 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.402 6.935 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.425 5.814 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.023 5.310 1.038 1.00 0.00 H new