USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=11 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 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 19 SER OG : rot -92:sc= 0.285 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+ 133:sc= -0.451 (180deg=-3.34!) USER MOD Single : A 29 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.017) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -171:sc= -1.64 (180deg=-2.07) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 47 ASN : amide:sc=-0.00439 K(o=-0.0044,f=-0.73) USER MOD Single : A 48 THR OG1 : rot 59:sc= 0.659 USER MOD Single : A 53 LYS NZ :NH3+ 137:sc= 0.448 (180deg=0.00178) USER MOD Single : A 54 GLN : amide:sc= -6.31! C(o=-6.3!,f=-6.2!) USER MOD Single : A 56 TYR OH : rot 130:sc= -0.683 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 6.518 7.367 5.026 1.00 0.00 N ATOM 184 CA SER A 12 6.590 5.958 5.496 1.00 0.00 C ATOM 185 C SER A 12 6.786 5.034 4.309 1.00 0.00 C ATOM 186 O SER A 12 6.246 5.264 3.246 1.00 0.00 O ATOM 187 CB SER A 12 5.271 5.595 6.194 1.00 0.00 C ATOM 188 OG SER A 12 5.455 4.246 6.593 1.00 0.00 O ATOM 0 HA SER A 12 7.425 5.848 6.188 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.081 6.242 7.050 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.421 5.700 5.520 1.00 0.00 H new ATOM 0 HG SER A 12 4.651 3.929 7.055 1.00 0.00 H new ATOM 194 N ALA A 13 7.560 4.012 4.500 1.00 0.00 N ATOM 195 CA ALA A 13 7.795 3.076 3.391 1.00 0.00 C ATOM 196 C ALA A 13 6.489 2.587 2.813 1.00 0.00 C ATOM 197 O ALA A 13 6.415 2.234 1.652 1.00 0.00 O ATOM 198 CB ALA A 13 8.573 1.871 3.930 1.00 0.00 C ATOM 0 H ALA A 13 8.036 3.789 5.374 1.00 0.00 H new ATOM 0 HA ALA A 13 8.355 3.588 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.757 1.165 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.525 2.207 4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.992 1.383 4.712 1.00 0.00 H new ATOM 204 N PHE A 14 5.467 2.571 3.633 1.00 0.00 N ATOM 205 CA PHE A 14 4.139 2.101 3.146 1.00 0.00 C ATOM 206 C PHE A 14 3.295 3.269 2.611 1.00 0.00 C ATOM 207 O PHE A 14 2.231 3.068 2.071 1.00 0.00 O ATOM 208 CB PHE A 14 3.437 1.347 4.330 1.00 0.00 C ATOM 209 CG PHE A 14 2.004 1.830 4.601 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.770 3.130 4.967 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.935 0.947 4.507 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.489 3.562 5.237 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.346 1.370 4.777 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.572 2.680 5.143 1.00 0.00 C ATOM 0 H PHE A 14 5.497 2.861 4.610 1.00 0.00 H new ATOM 0 HA PHE A 14 4.260 1.419 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.416 0.280 4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.032 1.474 5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.596 3.822 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.111 -0.079 4.220 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.314 4.589 5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.172 0.678 4.703 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.576 3.017 5.356 1.00 0.00 H new ATOM 224 N PHE A 15 3.744 4.473 2.818 1.00 0.00 N ATOM 225 CA PHE A 15 2.944 5.603 2.300 1.00 0.00 C ATOM 226 C PHE A 15 3.110 5.605 0.815 1.00 0.00 C ATOM 227 O PHE A 15 2.187 5.850 0.065 1.00 0.00 O ATOM 228 CB PHE A 15 3.474 6.931 2.854 1.00 0.00 C ATOM 229 CG PHE A 15 2.678 8.070 2.210 1.00 0.00 C ATOM 230 CD1 PHE A 15 1.311 8.160 2.403 1.00 0.00 C ATOM 231 CD2 PHE A 15 3.302 8.995 1.394 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.581 9.151 1.789 1.00 0.00 C ATOM 233 CE2 PHE A 15 2.568 9.991 0.779 1.00 0.00 C ATOM 234 CZ PHE A 15 1.208 10.067 0.978 1.00 0.00 C ATOM 0 H PHE A 15 4.605 4.716 3.309 1.00 0.00 H new ATOM 0 HA PHE A 15 1.900 5.495 2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.369 6.959 3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.536 7.038 2.634 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.813 7.446 3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.369 8.939 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.486 9.210 1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.061 10.710 0.142 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.634 10.846 0.497 1.00 0.00 H new ATOM 244 N LEU A 16 4.310 5.325 0.421 1.00 0.00 N ATOM 245 CA LEU A 16 4.619 5.286 -0.999 1.00 0.00 C ATOM 246 C LEU A 16 3.829 4.151 -1.617 1.00 0.00 C ATOM 247 O LEU A 16 3.595 4.111 -2.803 1.00 0.00 O ATOM 248 CB LEU A 16 6.123 4.963 -1.151 1.00 0.00 C ATOM 249 CG LEU A 16 6.971 5.875 -0.253 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.427 5.384 -0.303 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.895 7.325 -0.755 1.00 0.00 C ATOM 0 H LEU A 16 5.093 5.120 1.041 1.00 0.00 H new ATOM 0 HA LEU A 16 4.376 6.234 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.303 3.920 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.423 5.089 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 16 6.597 5.842 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.047 6.019 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.477 4.356 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.791 5.428 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.499 7.965 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.272 7.377 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.859 7.664 -0.733 1.00 0.00 H new ATOM 263 N PHE A 17 3.420 3.249 -0.763 1.00 0.00 N ATOM 264 CA PHE A 17 2.638 2.076 -1.215 1.00 0.00 C ATOM 265 C PHE A 17 1.146 2.386 -1.231 1.00 0.00 C ATOM 266 O PHE A 17 0.442 2.026 -2.155 1.00 0.00 O ATOM 267 CB PHE A 17 2.927 0.982 -0.196 1.00 0.00 C ATOM 268 CG PHE A 17 2.075 -0.240 -0.416 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.840 -0.344 0.197 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.568 -1.309 -1.127 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.118 -1.500 0.108 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.839 -2.468 -1.220 1.00 0.00 C ATOM 273 CZ PHE A 17 0.615 -2.561 -0.594 1.00 0.00 C ATOM 0 H PHE A 17 3.601 3.282 0.240 1.00 0.00 H new ATOM 0 HA PHE A 17 2.913 1.784 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.979 0.704 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.753 1.368 0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.443 0.495 0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.530 -1.236 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.845 -1.575 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.224 -3.306 -1.783 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.046 -3.477 -0.659 1.00 0.00 H new ATOM 283 N CYS A 18 0.692 3.050 -0.205 1.00 0.00 N ATOM 284 CA CYS A 18 -0.744 3.399 -0.132 1.00 0.00 C ATOM 285 C CYS A 18 -1.200 4.155 -1.375 1.00 0.00 C ATOM 286 O CYS A 18 -2.352 4.091 -1.757 1.00 0.00 O ATOM 287 CB CYS A 18 -0.952 4.314 1.092 1.00 0.00 C ATOM 288 SG CYS A 18 -2.504 5.242 1.177 1.00 0.00 S ATOM 0 H CYS A 18 1.257 3.364 0.584 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.323 2.479 -0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.876 3.700 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.129 5.028 1.124 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.523 5.957 2.262 1.00 0.00 H new ATOM 294 N SER A 19 -0.290 4.856 -1.982 1.00 0.00 N ATOM 295 CA SER A 19 -0.642 5.622 -3.193 1.00 0.00 C ATOM 296 C SER A 19 -0.954 4.711 -4.379 1.00 0.00 C ATOM 297 O SER A 19 -1.912 4.928 -5.093 1.00 0.00 O ATOM 298 CB SER A 19 0.557 6.513 -3.556 1.00 0.00 C ATOM 299 OG SER A 19 0.236 7.026 -4.838 1.00 0.00 O ATOM 0 H SER A 19 0.684 4.929 -1.688 1.00 0.00 H new ATOM 0 HA SER A 19 -1.535 6.210 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.692 7.314 -2.829 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.485 5.942 -3.577 1.00 0.00 H new ATOM 0 HG SER A 19 0.608 6.438 -5.528 1.00 0.00 H new ATOM 305 N GLU A 20 -0.140 3.708 -4.572 1.00 0.00 N ATOM 306 CA GLU A 20 -0.371 2.776 -5.707 1.00 0.00 C ATOM 307 C GLU A 20 -1.428 1.728 -5.383 1.00 0.00 C ATOM 308 O GLU A 20 -2.120 1.270 -6.258 1.00 0.00 O ATOM 309 CB GLU A 20 0.975 2.025 -6.051 1.00 0.00 C ATOM 310 CG GLU A 20 2.125 2.560 -5.207 1.00 0.00 C ATOM 311 CD GLU A 20 2.333 4.052 -5.507 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.448 4.609 -6.137 1.00 0.00 O ATOM 313 OE2 GLU A 20 3.369 4.548 -5.099 1.00 0.00 O ATOM 0 H GLU A 20 0.672 3.496 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.720 3.373 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.855 0.956 -5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.206 2.150 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.909 2.418 -4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.037 2.004 -5.423 1.00 0.00 H new ATOM 320 N TYR A 21 -1.517 1.349 -4.137 1.00 0.00 N ATOM 321 CA TYR A 21 -2.520 0.326 -3.751 1.00 0.00 C ATOM 322 C TYR A 21 -3.827 0.925 -3.272 1.00 0.00 C ATOM 323 O TYR A 21 -4.595 0.268 -2.614 1.00 0.00 O ATOM 324 CB TYR A 21 -1.897 -0.506 -2.627 1.00 0.00 C ATOM 325 CG TYR A 21 -0.927 -1.515 -3.229 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.378 -1.159 -3.511 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.334 -2.809 -3.461 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.260 -2.102 -4.008 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.454 -3.744 -3.960 1.00 0.00 C ATOM 330 CZ TYR A 21 0.849 -3.397 -4.237 1.00 0.00 C ATOM 331 OH TYR A 21 1.735 -4.336 -4.730 1.00 0.00 O ATOM 0 H TYR A 21 -0.939 1.704 -3.375 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.765 -0.274 -4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.375 0.143 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.676 -1.022 -2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.709 -0.145 -3.343 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.354 -3.094 -3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.281 -1.820 -4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.789 -4.756 -4.135 1.00 0.00 H new ATOM 0 HH TYR A 21 1.277 -5.197 -4.830 1.00 0.00 H new ATOM 341 N ARG A 22 -4.070 2.146 -3.609 1.00 0.00 N ATOM 342 CA ARG A 22 -5.344 2.777 -3.163 1.00 0.00 C ATOM 343 C ARG A 22 -6.493 2.436 -4.153 1.00 0.00 C ATOM 344 O ARG A 22 -7.583 2.104 -3.737 1.00 0.00 O ATOM 345 CB ARG A 22 -5.151 4.339 -3.052 1.00 0.00 C ATOM 346 CG ARG A 22 -5.483 4.806 -1.616 1.00 0.00 C ATOM 347 CD ARG A 22 -5.475 6.336 -1.564 1.00 0.00 C ATOM 348 NE ARG A 22 -5.857 6.776 -0.189 1.00 0.00 N ATOM 349 CZ ARG A 22 -5.751 8.038 0.137 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.315 8.886 -0.754 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.080 8.407 1.346 1.00 0.00 N ATOM 0 H ARG A 22 -3.455 2.738 -4.168 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.614 2.384 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.125 4.607 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.797 4.847 -3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.459 4.426 -1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.754 4.403 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.486 6.717 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.173 6.742 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.198 6.097 0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.063 8.561 -1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.226 9.874 -0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.413 7.715 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.004 9.387 1.619 1.00 0.00 H new ATOM 365 N PRO A 23 -6.216 2.529 -5.460 1.00 0.00 N ATOM 366 CA PRO A 23 -7.225 2.230 -6.477 1.00 0.00 C ATOM 367 C PRO A 23 -7.306 0.710 -6.760 1.00 0.00 C ATOM 368 O PRO A 23 -8.346 0.204 -7.135 1.00 0.00 O ATOM 369 CB PRO A 23 -6.716 2.974 -7.749 1.00 0.00 C ATOM 370 CG PRO A 23 -5.213 3.332 -7.486 1.00 0.00 C ATOM 371 CD PRO A 23 -4.922 2.989 -6.000 1.00 0.00 C ATOM 0 HA PRO A 23 -8.222 2.540 -6.163 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.815 2.344 -8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.303 3.874 -7.932 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.559 2.765 -8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.027 4.388 -7.682 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.160 2.215 -5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.554 3.860 -5.458 1.00 0.00 H new ATOM 379 N LYS A 24 -6.201 0.020 -6.572 1.00 0.00 N ATOM 380 CA LYS A 24 -6.196 -1.438 -6.825 1.00 0.00 C ATOM 381 C LYS A 24 -7.292 -2.122 -6.053 1.00 0.00 C ATOM 382 O LYS A 24 -8.137 -2.788 -6.616 1.00 0.00 O ATOM 383 CB LYS A 24 -4.857 -2.012 -6.344 1.00 0.00 C ATOM 384 CG LYS A 24 -3.701 -1.303 -7.048 1.00 0.00 C ATOM 385 CD LYS A 24 -3.761 -1.578 -8.565 1.00 0.00 C ATOM 386 CE LYS A 24 -2.373 -1.361 -9.176 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.435 -1.469 -10.658 1.00 0.00 N ATOM 0 H LYS A 24 -5.314 0.412 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.347 -1.605 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.766 -1.890 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.816 -3.082 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.754 -0.230 -6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.750 -1.650 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.095 -2.599 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.486 -0.916 -9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.993 -0.379 -8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.675 -2.099 -8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.486 -1.319 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.777 -2.415 -10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.085 -0.748 -11.032 1.00 0.00 H new ATOM 401 N ILE A 25 -7.254 -1.952 -4.770 1.00 0.00 N ATOM 402 CA ILE A 25 -8.281 -2.580 -3.927 1.00 0.00 C ATOM 403 C ILE A 25 -9.639 -1.916 -4.159 1.00 0.00 C ATOM 404 O ILE A 25 -10.578 -2.566 -4.571 1.00 0.00 O ATOM 405 CB ILE A 25 -7.858 -2.440 -2.418 1.00 0.00 C ATOM 406 CG1 ILE A 25 -6.810 -1.314 -2.252 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.228 -3.794 -1.947 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.799 -0.803 -0.796 1.00 0.00 C ATOM 0 H ILE A 25 -6.553 -1.403 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.369 -3.635 -4.186 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.737 -2.195 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.821 -1.685 -2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.038 -0.493 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.930 -3.712 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.962 -4.593 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.354 -4.020 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.057 -0.011 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.784 -0.413 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.548 -1.624 -0.124 1.00 0.00 H new ATOM 420 N LYS A 26 -9.724 -0.632 -3.904 1.00 0.00 N ATOM 421 CA LYS A 26 -11.020 0.058 -4.113 1.00 0.00 C ATOM 422 C LYS A 26 -11.577 -0.320 -5.474 1.00 0.00 C ATOM 423 O LYS A 26 -12.775 -0.341 -5.682 1.00 0.00 O ATOM 424 CB LYS A 26 -10.782 1.590 -4.048 1.00 0.00 C ATOM 425 CG LYS A 26 -12.125 2.352 -4.186 1.00 0.00 C ATOM 426 CD LYS A 26 -12.843 2.400 -2.829 1.00 0.00 C ATOM 427 CE LYS A 26 -14.164 3.155 -2.996 1.00 0.00 C ATOM 428 NZ LYS A 26 -14.907 3.193 -1.709 1.00 0.00 N ATOM 0 H LYS A 26 -8.961 -0.046 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.733 -0.237 -3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.304 1.850 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.101 1.893 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.943 3.364 -4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.758 1.860 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.029 1.390 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.216 2.896 -2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.968 4.171 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.772 2.671 -3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.243 4.161 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.721 2.548 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.278 2.897 -0.936 1.00 0.00 H new ATOM 442 N GLY A 27 -10.690 -0.626 -6.373 1.00 0.00 N ATOM 443 CA GLY A 27 -11.139 -1.009 -7.723 1.00 0.00 C ATOM 444 C GLY A 27 -11.942 -2.295 -7.629 1.00 0.00 C ATOM 445 O GLY A 27 -13.086 -2.356 -8.034 1.00 0.00 O ATOM 0 H GLY A 27 -9.680 -0.626 -6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.748 -0.216 -8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.281 -1.148 -8.380 1.00 0.00 H new ATOM 449 N GLU A 28 -11.314 -3.301 -7.089 1.00 0.00 N ATOM 450 CA GLU A 28 -11.983 -4.596 -6.939 1.00 0.00 C ATOM 451 C GLU A 28 -12.895 -4.580 -5.709 1.00 0.00 C ATOM 452 O GLU A 28 -13.583 -5.539 -5.426 1.00 0.00 O ATOM 453 CB GLU A 28 -10.891 -5.669 -6.750 1.00 0.00 C ATOM 454 CG GLU A 28 -10.317 -6.058 -8.115 1.00 0.00 C ATOM 455 CD GLU A 28 -9.062 -6.914 -7.911 1.00 0.00 C ATOM 456 OE1 GLU A 28 -8.010 -6.311 -7.781 1.00 0.00 O ATOM 457 OE2 GLU A 28 -9.227 -8.123 -7.897 1.00 0.00 O ATOM 0 H GLU A 28 -10.354 -3.268 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.591 -4.808 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.099 -5.288 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.309 -6.546 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.059 -6.611 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.072 -5.164 -8.688 1.00 0.00 H new ATOM 464 N HIS A 29 -12.873 -3.472 -4.994 1.00 0.00 N ATOM 465 CA HIS A 29 -13.722 -3.344 -3.772 1.00 0.00 C ATOM 466 C HIS A 29 -14.423 -1.975 -3.748 1.00 0.00 C ATOM 467 O HIS A 29 -14.081 -1.119 -2.956 1.00 0.00 O ATOM 468 CB HIS A 29 -12.796 -3.425 -2.556 1.00 0.00 C ATOM 469 CG HIS A 29 -12.260 -4.855 -2.412 1.00 0.00 C ATOM 470 ND1 HIS A 29 -12.693 -5.700 -1.603 1.00 0.00 N ATOM 471 CD2 HIS A 29 -11.239 -5.487 -3.094 1.00 0.00 C ATOM 472 CE1 HIS A 29 -12.065 -6.797 -1.694 1.00 0.00 C ATOM 473 NE2 HIS A 29 -11.112 -6.760 -2.626 1.00 0.00 N ATOM 0 H HIS A 29 -12.302 -2.655 -5.210 1.00 0.00 H new ATOM 0 HA HIS A 29 -14.475 -4.132 -3.763 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.968 -2.725 -2.669 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.337 -3.136 -1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.638 -5.043 -3.874 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.278 -7.664 -1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -10.461 -7.491 -2.912 1.00 0.00 H new ATOM 481 N PRO A 30 -15.401 -1.789 -4.632 1.00 0.00 N ATOM 482 CA PRO A 30 -16.131 -0.525 -4.695 1.00 0.00 C ATOM 483 C PRO A 30 -16.948 -0.297 -3.416 1.00 0.00 C ATOM 484 O PRO A 30 -18.128 -0.582 -3.366 1.00 0.00 O ATOM 485 CB PRO A 30 -17.070 -0.664 -5.943 1.00 0.00 C ATOM 486 CG PRO A 30 -16.891 -2.121 -6.493 1.00 0.00 C ATOM 487 CD PRO A 30 -15.825 -2.816 -5.606 1.00 0.00 C ATOM 0 HA PRO A 30 -15.460 0.330 -4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.108 -0.481 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.809 0.070 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.835 -2.665 -6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.572 -2.103 -7.535 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.240 -3.689 -5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.982 -3.164 -6.203 1.00 0.00 H new ATOM 495 N GLY A 31 -16.300 0.208 -2.401 1.00 0.00 N ATOM 496 CA GLY A 31 -17.037 0.456 -1.127 1.00 0.00 C ATOM 497 C GLY A 31 -16.093 0.536 0.082 1.00 0.00 C ATOM 498 O GLY A 31 -16.532 0.413 1.208 1.00 0.00 O ATOM 0 H GLY A 31 -15.311 0.456 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.599 1.386 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.762 -0.342 -0.967 1.00 0.00 H new ATOM 502 N LEU A 32 -14.818 0.738 -0.153 1.00 0.00 N ATOM 503 CA LEU A 32 -13.897 0.818 1.007 1.00 0.00 C ATOM 504 C LEU A 32 -14.045 2.141 1.720 1.00 0.00 C ATOM 505 O LEU A 32 -14.224 3.174 1.109 1.00 0.00 O ATOM 506 CB LEU A 32 -12.406 0.761 0.539 1.00 0.00 C ATOM 507 CG LEU A 32 -11.961 -0.637 -0.009 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.457 -0.822 0.296 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.712 -1.781 0.663 1.00 0.00 C ATOM 0 H LEU A 32 -14.391 0.847 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.147 -0.020 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.251 1.510 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.763 1.033 1.376 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.173 -0.661 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.126 -1.791 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.887 -0.031 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.296 -0.775 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.371 -2.731 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.521 -1.761 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.781 -1.670 0.482 1.00 0.00 H new ATOM 521 N SER A 33 -13.974 2.075 3.012 1.00 0.00 N ATOM 522 CA SER A 33 -14.093 3.290 3.823 1.00 0.00 C ATOM 523 C SER A 33 -12.682 3.773 4.098 1.00 0.00 C ATOM 524 O SER A 33 -11.779 2.965 4.160 1.00 0.00 O ATOM 525 CB SER A 33 -14.777 2.930 5.151 1.00 0.00 C ATOM 526 OG SER A 33 -16.136 2.719 4.795 1.00 0.00 O ATOM 0 H SER A 33 -13.836 1.214 3.542 1.00 0.00 H new ATOM 0 HA SER A 33 -14.677 4.058 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.338 2.037 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.676 3.733 5.882 1.00 0.00 H new ATOM 0 HG SER A 33 -16.650 2.480 5.594 1.00 0.00 H new ATOM 532 N ILE A 34 -12.483 5.061 4.244 1.00 0.00 N ATOM 533 CA ILE A 34 -11.091 5.542 4.515 1.00 0.00 C ATOM 534 C ILE A 34 -10.415 4.644 5.533 1.00 0.00 C ATOM 535 O ILE A 34 -9.210 4.482 5.530 1.00 0.00 O ATOM 536 CB ILE A 34 -11.156 6.972 5.060 1.00 0.00 C ATOM 537 CG1 ILE A 34 -11.957 7.849 4.097 1.00 0.00 C ATOM 538 CG2 ILE A 34 -9.720 7.540 5.162 1.00 0.00 C ATOM 539 CD1 ILE A 34 -11.981 9.299 4.612 1.00 0.00 C ATOM 0 H ILE A 34 -13.202 5.783 4.189 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.515 5.520 3.590 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.632 6.965 6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.512 7.814 3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.974 7.469 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.758 8.558 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.130 6.918 5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.260 7.545 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.553 9.920 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.446 9.327 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.961 9.678 4.681 1.00 0.00 H new ATOM 551 N GLY A 35 -11.207 4.079 6.390 1.00 0.00 N ATOM 552 CA GLY A 35 -10.638 3.183 7.415 1.00 0.00 C ATOM 553 C GLY A 35 -10.282 1.847 6.760 1.00 0.00 C ATOM 554 O GLY A 35 -9.197 1.337 6.932 1.00 0.00 O ATOM 0 H GLY A 35 -12.219 4.199 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.751 3.634 7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.355 3.029 8.221 1.00 0.00 H new ATOM 558 N ASP A 36 -11.206 1.317 5.995 1.00 0.00 N ATOM 559 CA ASP A 36 -10.944 0.028 5.326 1.00 0.00 C ATOM 560 C ASP A 36 -9.731 0.136 4.430 1.00 0.00 C ATOM 561 O ASP A 36 -8.894 -0.746 4.389 1.00 0.00 O ATOM 562 CB ASP A 36 -12.175 -0.322 4.464 1.00 0.00 C ATOM 563 CG ASP A 36 -12.288 -1.846 4.314 1.00 0.00 C ATOM 564 OD1 ASP A 36 -11.278 -2.489 4.547 1.00 0.00 O ATOM 565 OD2 ASP A 36 -13.378 -2.278 3.977 1.00 0.00 O ATOM 0 H ASP A 36 -12.122 1.727 5.813 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.758 -0.742 6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.079 0.075 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.088 0.144 3.482 1.00 0.00 H new ATOM 570 N VAL A 37 -9.660 1.218 3.730 1.00 0.00 N ATOM 571 CA VAL A 37 -8.525 1.419 2.831 1.00 0.00 C ATOM 572 C VAL A 37 -7.240 1.315 3.606 1.00 0.00 C ATOM 573 O VAL A 37 -6.444 0.427 3.398 1.00 0.00 O ATOM 574 CB VAL A 37 -8.630 2.851 2.247 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.366 3.154 1.455 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.858 2.956 1.332 1.00 0.00 C ATOM 0 H VAL A 37 -10.346 1.973 3.746 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.536 0.668 2.042 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.738 3.571 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.429 4.160 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.500 3.087 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.263 2.432 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.924 3.965 0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.765 2.241 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.759 2.736 1.905 1.00 0.00 H new ATOM 586 N ALA A 38 -7.082 2.221 4.497 1.00 0.00 N ATOM 587 CA ALA A 38 -5.874 2.238 5.320 1.00 0.00 C ATOM 588 C ALA A 38 -5.645 0.905 6.031 1.00 0.00 C ATOM 589 O ALA A 38 -4.518 0.533 6.288 1.00 0.00 O ATOM 590 CB ALA A 38 -6.041 3.353 6.334 1.00 0.00 C ATOM 0 H ALA A 38 -7.751 2.965 4.694 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.002 2.403 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.158 3.401 6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.165 4.303 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.921 3.158 6.947 1.00 0.00 H new ATOM 596 N LYS A 39 -6.707 0.202 6.345 1.00 0.00 N ATOM 597 CA LYS A 39 -6.522 -1.095 7.032 1.00 0.00 C ATOM 598 C LYS A 39 -5.944 -2.117 6.055 1.00 0.00 C ATOM 599 O LYS A 39 -4.952 -2.758 6.333 1.00 0.00 O ATOM 600 CB LYS A 39 -7.915 -1.592 7.553 1.00 0.00 C ATOM 601 CG LYS A 39 -8.060 -1.300 9.065 1.00 0.00 C ATOM 602 CD LYS A 39 -8.291 0.207 9.277 1.00 0.00 C ATOM 603 CE LYS A 39 -7.945 0.589 10.724 1.00 0.00 C ATOM 604 NZ LYS A 39 -6.484 0.831 10.855 1.00 0.00 N ATOM 0 H LYS A 39 -7.673 0.471 6.156 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.834 -0.977 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.714 -1.097 7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.018 -2.662 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.894 -1.868 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.163 -1.619 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.675 0.780 8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.330 0.458 9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.497 1.483 11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.251 -0.208 11.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.262 1.089 11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.965 -0.032 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.202 1.606 10.222 1.00 0.00 H new ATOM 618 N LYS A 40 -6.580 -2.236 4.933 1.00 0.00 N ATOM 619 CA LYS A 40 -6.102 -3.200 3.919 1.00 0.00 C ATOM 620 C LYS A 40 -4.672 -2.876 3.503 1.00 0.00 C ATOM 621 O LYS A 40 -3.851 -3.750 3.368 1.00 0.00 O ATOM 622 CB LYS A 40 -7.017 -3.104 2.684 1.00 0.00 C ATOM 623 CG LYS A 40 -8.367 -3.809 2.980 1.00 0.00 C ATOM 624 CD LYS A 40 -8.260 -5.309 2.644 1.00 0.00 C ATOM 625 CE LYS A 40 -9.550 -6.013 3.073 1.00 0.00 C ATOM 626 NZ LYS A 40 -9.491 -7.468 2.747 1.00 0.00 N ATOM 0 H LYS A 40 -7.412 -1.706 4.674 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.125 -4.205 4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.190 -2.059 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.534 -3.568 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.632 -3.680 4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.163 -3.352 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.096 -5.444 1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.404 -5.749 3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.703 -5.881 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.403 -5.557 2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.375 -7.927 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.367 -7.589 1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.689 -7.903 3.246 1.00 0.00 H new ATOM 640 N LEU A 41 -4.400 -1.629 3.287 1.00 0.00 N ATOM 641 CA LEU A 41 -3.026 -1.267 2.885 1.00 0.00 C ATOM 642 C LEU A 41 -2.060 -1.685 3.949 1.00 0.00 C ATOM 643 O LEU A 41 -1.050 -2.304 3.679 1.00 0.00 O ATOM 644 CB LEU A 41 -2.934 0.250 2.724 1.00 0.00 C ATOM 645 CG LEU A 41 -3.839 0.701 1.589 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.889 2.228 1.599 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.276 0.201 0.234 1.00 0.00 C ATOM 0 H LEU A 41 -5.059 -0.855 3.370 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.786 -1.767 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.226 0.742 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.904 0.542 2.519 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.840 0.290 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.534 2.576 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.285 2.573 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.884 2.626 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.930 0.528 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.277 0.611 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.224 -0.888 0.241 1.00 0.00 H new ATOM 659 N GLY A 42 -2.382 -1.339 5.145 1.00 0.00 N ATOM 660 CA GLY A 42 -1.499 -1.703 6.254 1.00 0.00 C ATOM 661 C GLY A 42 -1.295 -3.225 6.273 1.00 0.00 C ATOM 662 O GLY A 42 -0.280 -3.716 6.723 1.00 0.00 O ATOM 0 H GLY A 42 -3.221 -0.819 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.539 -1.199 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.930 -1.372 7.199 1.00 0.00 H new ATOM 666 N GLU A 43 -2.284 -3.940 5.773 1.00 0.00 N ATOM 667 CA GLU A 43 -2.190 -5.414 5.742 1.00 0.00 C ATOM 668 C GLU A 43 -1.379 -5.874 4.544 1.00 0.00 C ATOM 669 O GLU A 43 -0.309 -6.429 4.695 1.00 0.00 O ATOM 670 CB GLU A 43 -3.615 -5.975 5.615 1.00 0.00 C ATOM 671 CG GLU A 43 -4.359 -5.758 6.939 1.00 0.00 C ATOM 672 CD GLU A 43 -5.861 -5.958 6.720 1.00 0.00 C ATOM 673 OE1 GLU A 43 -6.259 -7.111 6.709 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.528 -4.945 6.580 1.00 0.00 O ATOM 0 H GLU A 43 -3.146 -3.552 5.389 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.702 -5.766 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.143 -5.479 4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.581 -7.037 5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.994 -6.457 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.166 -4.754 7.316 1.00 0.00 H new ATOM 681 N MET A 44 -1.902 -5.635 3.366 1.00 0.00 N ATOM 682 CA MET A 44 -1.172 -6.052 2.138 1.00 0.00 C ATOM 683 C MET A 44 0.287 -5.693 2.256 1.00 0.00 C ATOM 684 O MET A 44 1.157 -6.484 1.954 1.00 0.00 O ATOM 685 CB MET A 44 -1.784 -5.313 0.934 1.00 0.00 C ATOM 686 CG MET A 44 -3.128 -5.969 0.591 1.00 0.00 C ATOM 687 SD MET A 44 -4.124 -5.212 -0.711 1.00 0.00 S ATOM 688 CE MET A 44 -4.098 -3.535 -0.047 1.00 0.00 C ATOM 0 H MET A 44 -2.797 -5.172 3.206 1.00 0.00 H new ATOM 0 HA MET A 44 -1.258 -7.131 2.007 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.927 -4.258 1.170 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.110 -5.360 0.078 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.933 -7.003 0.306 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.729 -5.997 1.500 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.792 -2.910 -0.610 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.395 -3.554 1.001 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.091 -3.126 -0.131 1.00 0.00 H new ATOM 698 N TRP A 45 0.528 -4.505 2.692 1.00 0.00 N ATOM 699 CA TRP A 45 1.917 -4.061 2.845 1.00 0.00 C ATOM 700 C TRP A 45 2.655 -5.034 3.730 1.00 0.00 C ATOM 701 O TRP A 45 3.575 -5.700 3.306 1.00 0.00 O ATOM 702 CB TRP A 45 1.879 -2.697 3.528 1.00 0.00 C ATOM 703 CG TRP A 45 3.274 -2.275 3.965 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.647 -2.181 5.227 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.210 -1.852 3.161 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.876 -1.663 5.157 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.312 -1.422 3.873 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.199 -1.749 1.787 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.387 -0.894 3.213 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.281 -1.219 1.129 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.369 -0.789 1.840 1.00 0.00 C ATOM 0 H TRP A 45 -0.182 -3.820 2.950 1.00 0.00 H new ATOM 0 HA TRP A 45 2.419 -4.005 1.879 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.466 -1.954 2.845 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.218 -2.737 4.394 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.089 -2.458 6.109 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.442 -1.463 5.982 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.339 -2.085 1.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.250 -0.559 3.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.274 -1.141 0.052 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.217 -0.366 1.322 1.00 0.00 H new ATOM 722 N ASN A 46 2.237 -5.092 4.953 1.00 0.00 N ATOM 723 CA ASN A 46 2.887 -6.017 5.909 1.00 0.00 C ATOM 724 C ASN A 46 3.091 -7.376 5.257 1.00 0.00 C ATOM 725 O ASN A 46 4.094 -8.030 5.457 1.00 0.00 O ATOM 726 CB ASN A 46 1.944 -6.177 7.124 1.00 0.00 C ATOM 727 CG ASN A 46 2.760 -6.536 8.371 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.862 -7.041 8.282 1.00 0.00 O ATOM 729 ND2 ASN A 46 2.255 -6.292 9.549 1.00 0.00 N ATOM 0 H ASN A 46 1.471 -4.538 5.335 1.00 0.00 H new ATOM 0 HA ASN A 46 3.856 -5.623 6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.393 -5.252 7.293 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.207 -6.955 6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.785 -6.525 10.389 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.331 -5.868 9.630 1.00 0.00 H new ATOM 736 N ASN A 47 2.120 -7.764 4.481 1.00 0.00 N ATOM 737 CA ASN A 47 2.208 -9.065 3.795 1.00 0.00 C ATOM 738 C ASN A 47 3.195 -9.010 2.628 1.00 0.00 C ATOM 739 O ASN A 47 3.801 -10.006 2.283 1.00 0.00 O ATOM 740 CB ASN A 47 0.813 -9.418 3.257 1.00 0.00 C ATOM 741 CG ASN A 47 -0.171 -9.511 4.427 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.175 -9.943 5.509 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.404 -9.116 4.255 1.00 0.00 N ATOM 0 H ASN A 47 1.271 -7.230 4.297 1.00 0.00 H new ATOM 0 HA ASN A 47 2.560 -9.817 4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.482 -8.660 2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.847 -10.365 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.069 -9.171 5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.701 -8.752 3.350 1.00 0.00 H new ATOM 750 N THR A 48 3.344 -7.847 2.040 1.00 0.00 N ATOM 751 CA THR A 48 4.290 -7.729 0.898 1.00 0.00 C ATOM 752 C THR A 48 5.658 -8.279 1.273 1.00 0.00 C ATOM 753 O THR A 48 6.262 -7.849 2.236 1.00 0.00 O ATOM 754 CB THR A 48 4.441 -6.244 0.520 1.00 0.00 C ATOM 755 OG1 THR A 48 3.144 -5.813 0.162 1.00 0.00 O ATOM 756 CG2 THR A 48 5.266 -6.084 -0.768 1.00 0.00 C ATOM 0 H THR A 48 2.857 -6.989 2.300 1.00 0.00 H new ATOM 0 HA THR A 48 3.895 -8.301 0.058 1.00 0.00 H new ATOM 0 HB THR A 48 4.908 -5.703 1.343 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.534 -5.950 0.916 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.357 -5.026 -1.012 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.259 -6.509 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.767 -6.604 -1.586 1.00 0.00 H new ATOM 764 N ALA A 49 6.120 -9.221 0.507 1.00 0.00 N ATOM 765 CA ALA A 49 7.439 -9.816 0.796 1.00 0.00 C ATOM 766 C ALA A 49 8.528 -8.747 0.818 1.00 0.00 C ATOM 767 O ALA A 49 8.414 -7.727 0.170 1.00 0.00 O ATOM 768 CB ALA A 49 7.760 -10.829 -0.310 1.00 0.00 C ATOM 0 H ALA A 49 5.638 -9.602 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 49 7.408 -10.296 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.732 -11.282 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.995 -11.605 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.782 -10.321 -1.274 1.00 0.00 H new ATOM 774 N ALA A 50 9.565 -8.999 1.569 1.00 0.00 N ATOM 775 CA ALA A 50 10.664 -8.013 1.644 1.00 0.00 C ATOM 776 C ALA A 50 11.201 -7.692 0.249 1.00 0.00 C ATOM 777 O ALA A 50 11.372 -6.542 -0.107 1.00 0.00 O ATOM 778 CB ALA A 50 11.800 -8.617 2.504 1.00 0.00 C ATOM 0 H ALA A 50 9.693 -9.842 2.129 1.00 0.00 H new ATOM 0 HA ALA A 50 10.291 -7.090 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.622 -7.905 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.424 -8.834 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.155 -9.538 2.042 1.00 0.00 H new ATOM 784 N ASP A 51 11.457 -8.721 -0.512 1.00 0.00 N ATOM 785 CA ASP A 51 11.980 -8.510 -1.879 1.00 0.00 C ATOM 786 C ASP A 51 10.965 -7.777 -2.760 1.00 0.00 C ATOM 787 O ASP A 51 11.329 -7.162 -3.743 1.00 0.00 O ATOM 788 CB ASP A 51 12.274 -9.888 -2.499 1.00 0.00 C ATOM 789 CG ASP A 51 12.742 -9.706 -3.944 1.00 0.00 C ATOM 790 OD1 ASP A 51 13.756 -9.046 -4.107 1.00 0.00 O ATOM 791 OD2 ASP A 51 12.061 -10.237 -4.805 1.00 0.00 O ATOM 0 H ASP A 51 11.325 -9.695 -0.241 1.00 0.00 H new ATOM 0 HA ASP A 51 12.881 -7.900 -1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.040 -10.404 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.379 -10.510 -2.471 1.00 0.00 H new ATOM 796 N ASP A 52 9.709 -7.856 -2.393 1.00 0.00 N ATOM 797 CA ASP A 52 8.663 -7.166 -3.205 1.00 0.00 C ATOM 798 C ASP A 52 8.600 -5.682 -2.869 1.00 0.00 C ATOM 799 O ASP A 52 7.987 -4.909 -3.577 1.00 0.00 O ATOM 800 CB ASP A 52 7.301 -7.793 -2.879 1.00 0.00 C ATOM 801 CG ASP A 52 7.226 -9.197 -3.483 1.00 0.00 C ATOM 802 OD1 ASP A 52 8.279 -9.681 -3.863 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.117 -9.707 -3.531 1.00 0.00 O ATOM 0 H ASP A 52 9.367 -8.362 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 52 8.910 -7.278 -4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.161 -7.842 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.498 -7.172 -3.276 1.00 0.00 H new ATOM 808 N LYS A 53 9.220 -5.314 -1.781 1.00 0.00 N ATOM 809 CA LYS A 53 9.212 -3.876 -1.373 1.00 0.00 C ATOM 810 C LYS A 53 10.286 -3.089 -2.122 1.00 0.00 C ATOM 811 O LYS A 53 10.366 -1.880 -2.021 1.00 0.00 O ATOM 812 CB LYS A 53 9.532 -3.804 0.126 1.00 0.00 C ATOM 813 CG LYS A 53 8.318 -4.281 0.950 1.00 0.00 C ATOM 814 CD LYS A 53 8.433 -3.740 2.386 1.00 0.00 C ATOM 815 CE LYS A 53 7.293 -4.310 3.252 1.00 0.00 C ATOM 816 NZ LYS A 53 7.681 -5.633 3.817 1.00 0.00 N ATOM 0 H LYS A 53 9.730 -5.941 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 53 8.235 -3.450 -1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.400 -4.424 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.790 -2.782 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.393 -3.932 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.277 -5.370 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.398 -4.015 2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.387 -2.651 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.060 -3.617 4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.389 -4.415 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.392 -5.683 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.210 -6.391 3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.712 -5.751 3.749 1.00 0.00 H new ATOM 830 N GLN A 54 11.085 -3.795 -2.852 1.00 0.00 N ATOM 831 CA GLN A 54 12.169 -3.143 -3.624 1.00 0.00 C ATOM 832 C GLN A 54 11.726 -1.802 -4.297 1.00 0.00 C ATOM 833 O GLN A 54 12.306 -0.781 -4.048 1.00 0.00 O ATOM 834 CB GLN A 54 12.652 -4.152 -4.714 1.00 0.00 C ATOM 835 CG GLN A 54 14.043 -4.722 -4.357 1.00 0.00 C ATOM 836 CD GLN A 54 13.904 -5.740 -3.222 1.00 0.00 C ATOM 837 OE1 GLN A 54 14.338 -6.869 -3.335 1.00 0.00 O ATOM 838 NE2 GLN A 54 13.313 -5.384 -2.114 1.00 0.00 N ATOM 0 H GLN A 54 11.036 -4.809 -2.950 1.00 0.00 H new ATOM 0 HA GLN A 54 12.971 -2.883 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.933 -4.966 -4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.696 -3.654 -5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.489 -5.196 -5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.712 -3.915 -4.056 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.946 -4.438 -2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.218 -6.052 -1.349 1.00 0.00 H new ATOM 847 N PRO A 55 10.700 -1.827 -5.134 1.00 0.00 N ATOM 848 CA PRO A 55 10.255 -0.598 -5.789 1.00 0.00 C ATOM 849 C PRO A 55 10.134 0.580 -4.833 1.00 0.00 C ATOM 850 O PRO A 55 10.517 1.688 -5.154 1.00 0.00 O ATOM 851 CB PRO A 55 8.853 -0.951 -6.371 1.00 0.00 C ATOM 852 CG PRO A 55 8.692 -2.504 -6.277 1.00 0.00 C ATOM 853 CD PRO A 55 9.893 -3.031 -5.448 1.00 0.00 C ATOM 0 HA PRO A 55 10.978 -0.284 -6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.066 -0.448 -5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.771 -0.617 -7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.748 -2.766 -5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.682 -2.952 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.557 -3.529 -4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.474 -3.759 -6.014 1.00 0.00 H new ATOM 861 N TYR A 56 9.617 0.321 -3.691 1.00 0.00 N ATOM 862 CA TYR A 56 9.457 1.417 -2.698 1.00 0.00 C ATOM 863 C TYR A 56 10.769 1.849 -2.058 1.00 0.00 C ATOM 864 O TYR A 56 11.101 3.016 -2.090 1.00 0.00 O ATOM 865 CB TYR A 56 8.483 0.937 -1.640 1.00 0.00 C ATOM 866 CG TYR A 56 7.164 0.673 -2.341 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.434 1.721 -2.824 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.709 -0.606 -2.536 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.260 1.507 -3.498 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.530 -0.831 -3.213 1.00 0.00 C ATOM 871 CZ TYR A 56 4.796 0.230 -3.700 1.00 0.00 C ATOM 872 OH TYR A 56 3.633 0.019 -4.397 1.00 0.00 O ATOM 0 H TYR A 56 9.293 -0.598 -3.388 1.00 0.00 H new ATOM 0 HA TYR A 56 9.082 2.300 -3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.852 0.032 -1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.361 1.687 -0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.786 2.731 -2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.278 -1.442 -2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.696 2.348 -3.873 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.180 -1.842 -3.363 1.00 0.00 H new ATOM 0 HH TYR A 56 3.786 -0.655 -5.092 1.00 0.00 H new ATOM 882 N GLU A 57 11.499 0.936 -1.485 1.00 0.00 N ATOM 883 CA GLU A 57 12.774 1.368 -0.866 1.00 0.00 C ATOM 884 C GLU A 57 13.645 1.980 -1.937 1.00 0.00 C ATOM 885 O GLU A 57 14.323 2.966 -1.728 1.00 0.00 O ATOM 886 CB GLU A 57 13.470 0.139 -0.230 1.00 0.00 C ATOM 887 CG GLU A 57 14.170 -0.699 -1.298 1.00 0.00 C ATOM 888 CD GLU A 57 14.536 -2.067 -0.715 1.00 0.00 C ATOM 889 OE1 GLU A 57 13.690 -2.601 -0.017 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.641 -2.499 -1.001 1.00 0.00 O ATOM 0 H GLU A 57 11.277 -0.057 -1.420 1.00 0.00 H new ATOM 0 HA GLU A 57 12.594 2.108 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.196 0.470 0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.734 -0.471 0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.518 -0.823 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.068 -0.188 -1.646 1.00 0.00 H new ATOM 897 N LYS A 58 13.591 1.366 -3.066 1.00 0.00 N ATOM 898 CA LYS A 58 14.382 1.842 -4.215 1.00 0.00 C ATOM 899 C LYS A 58 14.011 3.282 -4.528 1.00 0.00 C ATOM 900 O LYS A 58 14.868 4.113 -4.752 1.00 0.00 O ATOM 901 CB LYS A 58 14.045 0.948 -5.436 1.00 0.00 C ATOM 902 CG LYS A 58 14.955 1.313 -6.627 1.00 0.00 C ATOM 903 CD LYS A 58 16.397 0.816 -6.366 1.00 0.00 C ATOM 904 CE LYS A 58 17.128 0.653 -7.702 1.00 0.00 C ATOM 905 NZ LYS A 58 18.517 0.170 -7.480 1.00 0.00 N ATOM 0 H LYS A 58 13.023 0.539 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 58 15.447 1.791 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.178 -0.102 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.999 1.078 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.567 0.864 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.956 2.393 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.929 1.525 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.375 -0.134 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.588 -0.052 -8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.148 1.606 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.999 0.065 -8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.034 0.856 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.491 -0.750 -6.995 1.00 0.00 H new ATOM 919 N LYS A 59 12.734 3.554 -4.542 1.00 0.00 N ATOM 920 CA LYS A 59 12.295 4.925 -4.833 1.00 0.00 C ATOM 921 C LYS A 59 12.775 5.849 -3.735 1.00 0.00 C ATOM 922 O LYS A 59 13.348 6.894 -3.986 1.00 0.00 O ATOM 923 CB LYS A 59 10.753 4.936 -4.876 1.00 0.00 C ATOM 924 CG LYS A 59 10.275 6.153 -5.679 1.00 0.00 C ATOM 925 CD LYS A 59 8.740 6.161 -5.717 1.00 0.00 C ATOM 926 CE LYS A 59 8.264 7.093 -6.836 1.00 0.00 C ATOM 927 NZ LYS A 59 8.866 8.446 -6.683 1.00 0.00 N ATOM 0 H LYS A 59 11.988 2.882 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 59 12.703 5.261 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.384 4.017 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.350 4.973 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.644 7.072 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.676 6.116 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.364 5.152 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.343 6.494 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.537 6.675 -7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.177 7.168 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.310 9.137 -7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.866 8.715 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.844 8.433 -7.037 1.00 0.00 H new ATOM 941 N ALA A 60 12.523 5.448 -2.530 1.00 0.00 N ATOM 942 CA ALA A 60 12.949 6.269 -1.393 1.00 0.00 C ATOM 943 C ALA A 60 14.460 6.447 -1.411 1.00 0.00 C ATOM 944 O ALA A 60 14.979 7.413 -0.892 1.00 0.00 O ATOM 945 CB ALA A 60 12.549 5.549 -0.094 1.00 0.00 C ATOM 0 H ALA A 60 12.038 4.583 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 60 12.474 7.248 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.859 6.147 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.468 5.414 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 60 13.037 4.575 -0.053 1.00 0.00 H new