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 -0:sc= 0.702 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.91 USER MOD Single : A 19 SER OG : rot 180:sc= -0.121 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+ 148:sc= -2.75! (180deg=-5.5!) USER MOD Single : A 29 HIS : no HD1:sc= -0.009 X(o=-0.009,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.143 USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.17 (180deg=-1.28!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -166:sc= -1.17 (180deg=-2.08) USER MOD Single : A 46 ASN : amide:sc= -0.976 K(o=-0.98,f=-3.3!) USER MOD Single : A 47 ASN : amide:sc= -6.27! C(o=-6.3!,f=-12!) USER MOD Single : A 48 THR OG1 : rot 55:sc= 0.0114 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0565 K(o=-0.056,f=-2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.152) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 6.492 8.026 3.415 1.00 0.00 N ATOM 184 CA SER A 12 6.702 6.737 4.134 1.00 0.00 C ATOM 185 C SER A 12 6.933 5.610 3.122 1.00 0.00 C ATOM 186 O SER A 12 6.663 5.765 1.946 1.00 0.00 O ATOM 187 CB SER A 12 5.433 6.431 4.986 1.00 0.00 C ATOM 188 OG SER A 12 4.742 7.673 5.041 1.00 0.00 O ATOM 0 HA SER A 12 7.576 6.810 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.822 5.655 4.525 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.698 6.078 5.983 1.00 0.00 H new ATOM 0 HG SER A 12 5.249 8.351 4.548 1.00 0.00 H new ATOM 194 N ALA A 13 7.434 4.500 3.592 1.00 0.00 N ATOM 195 CA ALA A 13 7.682 3.377 2.668 1.00 0.00 C ATOM 196 C ALA A 13 6.395 2.861 2.095 1.00 0.00 C ATOM 197 O ALA A 13 6.241 2.751 0.895 1.00 0.00 O ATOM 198 CB ALA A 13 8.351 2.230 3.440 1.00 0.00 C ATOM 0 H ALA A 13 7.678 4.331 4.568 1.00 0.00 H new ATOM 0 HA ALA A 13 8.321 3.733 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.537 1.396 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.296 2.576 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.695 1.903 4.247 1.00 0.00 H new ATOM 204 N PHE A 14 5.484 2.551 2.961 1.00 0.00 N ATOM 205 CA PHE A 14 4.184 2.031 2.491 1.00 0.00 C ATOM 206 C PHE A 14 3.315 3.162 1.924 1.00 0.00 C ATOM 207 O PHE A 14 2.227 2.929 1.453 1.00 0.00 O ATOM 208 CB PHE A 14 3.491 1.294 3.703 1.00 0.00 C ATOM 209 CG PHE A 14 2.053 1.770 3.975 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.800 3.090 4.256 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.995 0.859 3.967 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.522 3.519 4.523 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.291 1.283 4.237 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.530 2.617 4.516 1.00 0.00 C ATOM 0 H PHE A 14 5.583 2.635 3.973 1.00 0.00 H new ATOM 0 HA PHE A 14 4.326 1.322 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.478 0.222 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.091 1.446 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.615 3.799 4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.183 -0.182 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.337 4.561 4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.107 0.576 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.534 2.954 4.728 1.00 0.00 H new ATOM 224 N PHE A 15 3.781 4.383 2.031 1.00 0.00 N ATOM 225 CA PHE A 15 2.960 5.486 1.484 1.00 0.00 C ATOM 226 C PHE A 15 3.054 5.425 -0.005 1.00 0.00 C ATOM 227 O PHE A 15 2.074 5.533 -0.711 1.00 0.00 O ATOM 228 CB PHE A 15 3.495 6.837 1.960 1.00 0.00 C ATOM 229 CG PHE A 15 2.581 7.918 1.401 1.00 0.00 C ATOM 230 CD1 PHE A 15 1.303 8.071 1.905 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.995 8.734 0.361 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.455 9.018 1.380 1.00 0.00 C ATOM 233 CE2 PHE A 15 2.142 9.682 -0.162 1.00 0.00 C ATOM 234 CZ PHE A 15 0.873 9.824 0.347 1.00 0.00 C ATOM 0 H PHE A 15 4.667 4.650 2.461 1.00 0.00 H new ATOM 0 HA PHE A 15 1.929 5.382 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.515 6.878 3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.519 6.986 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.968 7.442 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.991 8.627 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.542 9.129 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.471 10.314 -0.973 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.205 10.567 -0.064 1.00 0.00 H new ATOM 244 N LEU A 16 4.255 5.258 -0.462 1.00 0.00 N ATOM 245 CA LEU A 16 4.473 5.173 -1.904 1.00 0.00 C ATOM 246 C LEU A 16 3.660 4.015 -2.427 1.00 0.00 C ATOM 247 O LEU A 16 3.370 3.916 -3.600 1.00 0.00 O ATOM 248 CB LEU A 16 5.953 4.839 -2.142 1.00 0.00 C ATOM 249 CG LEU A 16 6.855 5.871 -1.458 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.285 5.297 -1.376 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.859 7.175 -2.274 1.00 0.00 C ATOM 0 H LEU A 16 5.094 5.177 0.113 1.00 0.00 H new ATOM 0 HA LEU A 16 4.195 6.107 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.173 3.843 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.160 4.820 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 16 6.485 6.086 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.940 6.021 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.274 4.373 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.653 5.091 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.501 7.908 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.234 6.975 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.844 7.567 -2.338 1.00 0.00 H new ATOM 263 N PHE A 17 3.309 3.151 -1.508 1.00 0.00 N ATOM 264 CA PHE A 17 2.515 1.961 -1.857 1.00 0.00 C ATOM 265 C PHE A 17 1.016 2.238 -1.704 1.00 0.00 C ATOM 266 O PHE A 17 0.219 1.770 -2.477 1.00 0.00 O ATOM 267 CB PHE A 17 2.941 0.883 -0.871 1.00 0.00 C ATOM 268 CG PHE A 17 2.085 -0.342 -0.996 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.853 -0.389 -0.371 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.555 -1.452 -1.659 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.104 -1.532 -0.406 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.804 -2.596 -1.699 1.00 0.00 C ATOM 273 CZ PHE A 17 0.579 -2.636 -1.066 1.00 0.00 C ATOM 0 H PHE A 17 3.548 3.232 -0.520 1.00 0.00 H new ATOM 0 HA PHE A 17 2.683 1.666 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.984 0.619 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.877 1.271 0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.480 0.482 0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.517 -1.421 -2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.858 -1.565 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.170 -3.465 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.009 -3.542 -1.090 1.00 0.00 H new ATOM 283 N CYS A 18 0.663 2.984 -0.683 1.00 0.00 N ATOM 284 CA CYS A 18 -0.770 3.303 -0.464 1.00 0.00 C ATOM 285 C CYS A 18 -1.405 3.921 -1.709 1.00 0.00 C ATOM 286 O CYS A 18 -2.246 3.318 -2.345 1.00 0.00 O ATOM 287 CB CYS A 18 -0.865 4.321 0.689 1.00 0.00 C ATOM 288 SG CYS A 18 -2.436 5.193 0.904 1.00 0.00 S ATOM 0 H CYS A 18 1.307 3.381 0.001 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.300 2.380 -0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.640 3.799 1.619 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.083 5.067 0.545 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.346 6.006 1.914 1.00 0.00 H new ATOM 294 N SER A 19 -0.984 5.115 -2.037 1.00 0.00 N ATOM 295 CA SER A 19 -1.540 5.792 -3.223 1.00 0.00 C ATOM 296 C SER A 19 -1.598 4.850 -4.419 1.00 0.00 C ATOM 297 O SER A 19 -2.492 4.926 -5.238 1.00 0.00 O ATOM 298 CB SER A 19 -0.620 6.986 -3.546 1.00 0.00 C ATOM 299 OG SER A 19 0.421 6.440 -4.353 1.00 0.00 O ATOM 0 H SER A 19 -0.277 5.644 -1.527 1.00 0.00 H new ATOM 0 HA SER A 19 -2.558 6.122 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.161 7.769 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.221 7.434 -2.636 1.00 0.00 H new ATOM 0 HG SER A 19 1.050 7.150 -4.600 1.00 0.00 H new ATOM 305 N GLU A 20 -0.639 3.982 -4.492 1.00 0.00 N ATOM 306 CA GLU A 20 -0.603 3.024 -5.613 1.00 0.00 C ATOM 307 C GLU A 20 -1.680 1.944 -5.454 1.00 0.00 C ATOM 308 O GLU A 20 -2.391 1.635 -6.387 1.00 0.00 O ATOM 309 CB GLU A 20 0.803 2.362 -5.619 1.00 0.00 C ATOM 310 CG GLU A 20 0.820 1.140 -6.548 1.00 0.00 C ATOM 311 CD GLU A 20 0.325 1.553 -7.934 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.157 2.048 -8.680 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.855 1.354 -8.171 1.00 0.00 O ATOM 0 H GLU A 20 0.123 3.896 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.797 3.547 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.550 3.085 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.073 2.060 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.829 0.734 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.186 0.352 -6.143 1.00 0.00 H new ATOM 320 N TYR A 21 -1.756 1.375 -4.276 1.00 0.00 N ATOM 321 CA TYR A 21 -2.765 0.313 -4.014 1.00 0.00 C ATOM 322 C TYR A 21 -4.080 0.861 -3.466 1.00 0.00 C ATOM 323 O TYR A 21 -4.849 0.133 -2.889 1.00 0.00 O ATOM 324 CB TYR A 21 -2.151 -0.634 -2.965 1.00 0.00 C ATOM 325 CG TYR A 21 -1.233 -1.633 -3.644 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.092 -1.327 -3.842 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.708 -2.865 -4.038 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.940 -2.246 -4.423 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.865 -3.784 -4.620 1.00 0.00 C ATOM 330 CZ TYR A 21 0.465 -3.484 -4.818 1.00 0.00 C ATOM 331 OH TYR A 21 1.308 -4.404 -5.408 1.00 0.00 O ATOM 0 H TYR A 21 -1.157 1.605 -3.483 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.999 -0.186 -4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.593 -0.059 -2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.942 -1.159 -2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.471 -0.362 -3.541 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.749 -3.111 -3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.981 -1.998 -4.571 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.249 -4.747 -4.924 1.00 0.00 H new ATOM 0 HH TYR A 21 0.806 -5.219 -5.620 1.00 0.00 H new ATOM 341 N ARG A 22 -4.318 2.115 -3.645 1.00 0.00 N ATOM 342 CA ARG A 22 -5.602 2.685 -3.119 1.00 0.00 C ATOM 343 C ARG A 22 -6.799 2.391 -4.066 1.00 0.00 C ATOM 344 O ARG A 22 -7.880 2.079 -3.610 1.00 0.00 O ATOM 345 CB ARG A 22 -5.454 4.240 -2.917 1.00 0.00 C ATOM 346 CG ARG A 22 -6.128 4.658 -1.586 1.00 0.00 C ATOM 347 CD ARG A 22 -6.094 6.184 -1.448 1.00 0.00 C ATOM 348 NE ARG A 22 -4.680 6.620 -1.244 1.00 0.00 N ATOM 349 CZ ARG A 22 -4.428 7.767 -0.652 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.426 8.514 -0.253 1.00 0.00 N ATOM 351 NH2 ARG A 22 -3.184 8.119 -0.466 1.00 0.00 N ATOM 0 H ARG A 22 -3.702 2.773 -4.122 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.809 2.204 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.400 4.517 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.913 4.771 -3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.159 4.304 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.612 4.195 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.508 6.653 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.711 6.500 -0.607 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.912 6.030 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.386 8.204 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.243 9.406 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.429 7.508 -0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.968 9.005 -0.009 1.00 0.00 H new ATOM 365 N PRO A 23 -6.579 2.495 -5.380 1.00 0.00 N ATOM 366 CA PRO A 23 -7.638 2.242 -6.357 1.00 0.00 C ATOM 367 C PRO A 23 -7.772 0.737 -6.664 1.00 0.00 C ATOM 368 O PRO A 23 -8.840 0.260 -6.992 1.00 0.00 O ATOM 369 CB PRO A 23 -7.160 3.002 -7.632 1.00 0.00 C ATOM 370 CG PRO A 23 -5.640 3.328 -7.415 1.00 0.00 C ATOM 371 CD PRO A 23 -5.293 2.893 -5.966 1.00 0.00 C ATOM 0 HA PRO A 23 -8.613 2.568 -5.996 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.302 2.391 -8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.736 3.916 -7.777 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.023 2.794 -8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.448 4.392 -7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.582 2.067 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.838 3.709 -5.405 1.00 0.00 H new ATOM 379 N LYS A 24 -6.678 0.025 -6.549 1.00 0.00 N ATOM 380 CA LYS A 24 -6.719 -1.423 -6.829 1.00 0.00 C ATOM 381 C LYS A 24 -7.805 -2.092 -6.017 1.00 0.00 C ATOM 382 O LYS A 24 -8.681 -2.739 -6.558 1.00 0.00 O ATOM 383 CB LYS A 24 -5.360 -2.031 -6.436 1.00 0.00 C ATOM 384 CG LYS A 24 -4.229 -1.353 -7.234 1.00 0.00 C ATOM 385 CD LYS A 24 -4.255 -1.826 -8.698 1.00 0.00 C ATOM 386 CE LYS A 24 -2.929 -1.459 -9.369 1.00 0.00 C ATOM 387 NZ LYS A 24 -3.032 -1.617 -10.845 1.00 0.00 N ATOM 0 H LYS A 24 -5.767 0.392 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.926 -1.578 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.190 -1.902 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.362 -3.103 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.343 -0.270 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.265 -1.590 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.412 -2.904 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.086 -1.361 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.663 -0.430 -9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.131 -2.094 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.124 -1.364 -11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.264 -2.605 -11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.779 -0.993 -11.210 1.00 0.00 H new ATOM 401 N ILE A 25 -7.732 -1.931 -4.733 1.00 0.00 N ATOM 402 CA ILE A 25 -8.750 -2.549 -3.873 1.00 0.00 C ATOM 403 C ILE A 25 -10.075 -1.806 -4.038 1.00 0.00 C ATOM 404 O ILE A 25 -11.067 -2.384 -4.438 1.00 0.00 O ATOM 405 CB ILE A 25 -8.273 -2.463 -2.390 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.277 -1.299 -2.215 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.562 -3.799 -2.014 1.00 0.00 C ATOM 408 CD1 ILE A 25 -7.247 -0.842 -0.743 1.00 0.00 C ATOM 0 H ILE A 25 -7.010 -1.398 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.893 -3.593 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.135 -2.293 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.281 -1.613 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.564 -0.466 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.223 -3.752 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.260 -4.628 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.705 -3.952 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.540 -0.020 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.241 -0.509 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.938 -1.674 -0.110 1.00 0.00 H new ATOM 420 N LYS A 26 -10.065 -0.531 -3.732 1.00 0.00 N ATOM 421 CA LYS A 26 -11.310 0.256 -3.867 1.00 0.00 C ATOM 422 C LYS A 26 -11.906 0.009 -5.245 1.00 0.00 C ATOM 423 O LYS A 26 -13.093 0.159 -5.456 1.00 0.00 O ATOM 424 CB LYS A 26 -10.964 1.758 -3.720 1.00 0.00 C ATOM 425 CG LYS A 26 -12.267 2.595 -3.650 1.00 0.00 C ATOM 426 CD LYS A 26 -12.797 2.625 -2.207 1.00 0.00 C ATOM 427 CE LYS A 26 -13.990 3.587 -2.135 1.00 0.00 C ATOM 428 NZ LYS A 26 -14.890 3.394 -3.306 1.00 0.00 N ATOM 0 H LYS A 26 -9.252 -0.013 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.027 -0.038 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.370 1.917 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.357 2.085 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.076 3.610 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.019 2.168 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.100 1.625 -1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.011 2.947 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.544 3.419 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.633 4.617 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.872 3.591 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.611 4.043 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.817 2.413 -3.642 1.00 0.00 H new ATOM 442 N GLY A 27 -11.060 -0.392 -6.155 1.00 0.00 N ATOM 443 CA GLY A 27 -11.539 -0.662 -7.527 1.00 0.00 C ATOM 444 C GLY A 27 -12.546 -1.796 -7.486 1.00 0.00 C ATOM 445 O GLY A 27 -13.699 -1.626 -7.833 1.00 0.00 O ATOM 0 H GLY A 27 -10.063 -0.542 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.997 0.233 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.701 -0.926 -8.173 1.00 0.00 H new ATOM 449 N GLU A 28 -12.087 -2.940 -7.067 1.00 0.00 N ATOM 450 CA GLU A 28 -12.981 -4.092 -6.988 1.00 0.00 C ATOM 451 C GLU A 28 -13.898 -3.934 -5.784 1.00 0.00 C ATOM 452 O GLU A 28 -14.769 -4.746 -5.545 1.00 0.00 O ATOM 453 CB GLU A 28 -12.127 -5.354 -6.806 1.00 0.00 C ATOM 454 CG GLU A 28 -11.107 -5.451 -7.942 1.00 0.00 C ATOM 455 CD GLU A 28 -11.841 -5.697 -9.262 1.00 0.00 C ATOM 456 OE1 GLU A 28 -12.105 -6.857 -9.527 1.00 0.00 O ATOM 457 OE2 GLU A 28 -12.097 -4.709 -9.931 1.00 0.00 O ATOM 0 H GLU A 28 -11.124 -3.113 -6.778 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.581 -4.167 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.614 -5.323 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.764 -6.239 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.525 -4.532 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.404 -6.261 -7.747 1.00 0.00 H new ATOM 464 N HIS A 29 -13.671 -2.866 -5.042 1.00 0.00 N ATOM 465 CA HIS A 29 -14.497 -2.588 -3.831 1.00 0.00 C ATOM 466 C HIS A 29 -14.955 -1.118 -3.811 1.00 0.00 C ATOM 467 O HIS A 29 -14.482 -0.336 -3.012 1.00 0.00 O ATOM 468 CB HIS A 29 -13.597 -2.808 -2.605 1.00 0.00 C ATOM 469 CG HIS A 29 -13.251 -4.292 -2.470 1.00 0.00 C ATOM 470 ND1 HIS A 29 -13.876 -5.105 -1.763 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.233 -5.019 -3.054 1.00 0.00 C ATOM 472 CE1 HIS A 29 -13.378 -6.265 -1.837 1.00 0.00 C ATOM 473 NE2 HIS A 29 -12.319 -6.314 -2.645 1.00 0.00 N ATOM 0 H HIS A 29 -12.943 -2.177 -5.231 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.372 -3.238 -3.830 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.684 -2.221 -2.704 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.104 -2.461 -1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.488 -4.623 -3.728 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.767 -7.120 -1.305 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -11.730 -7.110 -2.891 1.00 0.00 H new ATOM 481 N PRO A 30 -15.875 -0.762 -4.697 1.00 0.00 N ATOM 482 CA PRO A 30 -16.369 0.612 -4.757 1.00 0.00 C ATOM 483 C PRO A 30 -17.162 0.991 -3.487 1.00 0.00 C ATOM 484 O PRO A 30 -18.378 1.032 -3.497 1.00 0.00 O ATOM 485 CB PRO A 30 -17.288 0.652 -6.028 1.00 0.00 C ATOM 486 CG PRO A 30 -17.407 -0.821 -6.553 1.00 0.00 C ATOM 487 CD PRO A 30 -16.454 -1.691 -5.690 1.00 0.00 C ATOM 0 HA PRO A 30 -15.552 1.331 -4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.271 1.054 -5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.861 1.301 -6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.434 -1.177 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.133 -0.878 -7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.995 -2.502 -5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.676 -2.149 -6.302 1.00 0.00 H new ATOM 495 N GLY A 31 -16.454 1.249 -2.405 1.00 0.00 N ATOM 496 CA GLY A 31 -17.172 1.625 -1.142 1.00 0.00 C ATOM 497 C GLY A 31 -16.377 1.263 0.126 1.00 0.00 C ATOM 498 O GLY A 31 -16.960 0.873 1.117 1.00 0.00 O ATOM 0 H GLY A 31 -15.436 1.216 -2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.370 2.697 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -18.139 1.122 -1.115 1.00 0.00 H new ATOM 502 N LEU A 32 -15.070 1.389 0.090 1.00 0.00 N ATOM 503 CA LEU A 32 -14.291 1.043 1.320 1.00 0.00 C ATOM 504 C LEU A 32 -14.365 2.161 2.343 1.00 0.00 C ATOM 505 O LEU A 32 -14.562 3.312 2.010 1.00 0.00 O ATOM 506 CB LEU A 32 -12.781 0.871 0.977 1.00 0.00 C ATOM 507 CG LEU A 32 -12.478 -0.458 0.264 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.948 -0.615 0.212 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.061 -1.648 1.051 1.00 0.00 C ATOM 0 H LEU A 32 -14.524 1.706 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.720 0.122 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.461 1.699 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.196 0.927 1.895 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.922 -0.447 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.695 -1.550 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.515 0.220 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.549 -0.627 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.834 -2.577 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.620 -1.676 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.142 -1.534 1.136 1.00 0.00 H new ATOM 521 N SER A 33 -14.203 1.786 3.579 1.00 0.00 N ATOM 522 CA SER A 33 -14.245 2.772 4.672 1.00 0.00 C ATOM 523 C SER A 33 -12.819 3.196 4.992 1.00 0.00 C ATOM 524 O SER A 33 -11.902 2.424 4.819 1.00 0.00 O ATOM 525 CB SER A 33 -14.858 2.099 5.912 1.00 0.00 C ATOM 526 OG SER A 33 -13.876 1.159 6.319 1.00 0.00 O ATOM 0 H SER A 33 -14.042 0.823 3.874 1.00 0.00 H new ATOM 0 HA SER A 33 -14.839 3.640 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.064 2.825 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.803 1.610 5.674 1.00 0.00 H new ATOM 0 HG SER A 33 -14.190 0.681 7.115 1.00 0.00 H new ATOM 532 N ILE A 34 -12.637 4.404 5.436 1.00 0.00 N ATOM 533 CA ILE A 34 -11.254 4.835 5.752 1.00 0.00 C ATOM 534 C ILE A 34 -10.575 3.805 6.640 1.00 0.00 C ATOM 535 O ILE A 34 -9.375 3.618 6.577 1.00 0.00 O ATOM 536 CB ILE A 34 -11.314 6.173 6.499 1.00 0.00 C ATOM 537 CG1 ILE A 34 -12.169 7.166 5.717 1.00 0.00 C ATOM 538 CG2 ILE A 34 -9.883 6.747 6.622 1.00 0.00 C ATOM 539 CD1 ILE A 34 -12.126 8.537 6.412 1.00 0.00 C ATOM 0 H ILE A 34 -13.369 5.098 5.591 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.688 4.938 4.826 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.747 6.013 7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.801 7.253 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.197 6.809 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.917 7.699 7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.256 6.046 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.466 6.901 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.736 9.247 5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.514 8.443 7.426 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.097 8.894 6.449 1.00 0.00 H new ATOM 551 N GLY A 35 -11.354 3.155 7.449 1.00 0.00 N ATOM 552 CA GLY A 35 -10.772 2.133 8.347 1.00 0.00 C ATOM 553 C GLY A 35 -10.313 0.918 7.539 1.00 0.00 C ATOM 554 O GLY A 35 -9.394 0.239 7.918 1.00 0.00 O ATOM 0 H GLY A 35 -12.363 3.286 7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.928 2.556 8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.510 1.828 9.089 1.00 0.00 H new ATOM 558 N ASP A 36 -10.964 0.675 6.426 1.00 0.00 N ATOM 559 CA ASP A 36 -10.572 -0.496 5.584 1.00 0.00 C ATOM 560 C ASP A 36 -9.455 -0.161 4.629 1.00 0.00 C ATOM 561 O ASP A 36 -8.476 -0.866 4.539 1.00 0.00 O ATOM 562 CB ASP A 36 -11.794 -0.923 4.746 1.00 0.00 C ATOM 563 CG ASP A 36 -11.620 -2.377 4.298 1.00 0.00 C ATOM 564 OD1 ASP A 36 -12.032 -3.231 5.064 1.00 0.00 O ATOM 565 OD2 ASP A 36 -11.082 -2.549 3.217 1.00 0.00 O ATOM 0 H ASP A 36 -11.741 1.231 6.069 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.231 -1.288 6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.706 -0.819 5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.898 -0.273 3.877 1.00 0.00 H new ATOM 570 N VAL A 37 -9.618 0.907 3.934 1.00 0.00 N ATOM 571 CA VAL A 37 -8.577 1.304 2.973 1.00 0.00 C ATOM 572 C VAL A 37 -7.227 1.307 3.625 1.00 0.00 C ATOM 573 O VAL A 37 -6.362 0.525 3.303 1.00 0.00 O ATOM 574 CB VAL A 37 -8.872 2.747 2.504 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.755 3.193 1.558 1.00 0.00 C ATOM 576 CG2 VAL A 37 -10.213 2.788 1.780 1.00 0.00 C ATOM 0 H VAL A 37 -10.427 1.526 3.987 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.579 0.599 2.142 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.917 3.416 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.950 4.210 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.800 3.162 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.718 2.525 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.418 3.807 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.179 2.127 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.002 2.460 2.457 1.00 0.00 H new ATOM 586 N ALA A 38 -7.094 2.174 4.542 1.00 0.00 N ATOM 587 CA ALA A 38 -5.829 2.292 5.260 1.00 0.00 C ATOM 588 C ALA A 38 -5.367 0.970 5.899 1.00 0.00 C ATOM 589 O ALA A 38 -4.185 0.688 5.915 1.00 0.00 O ATOM 590 CB ALA A 38 -6.022 3.354 6.324 1.00 0.00 C ATOM 0 H ALA A 38 -7.822 2.825 4.837 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.044 2.562 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.097 3.476 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.286 4.300 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.822 3.051 7.000 1.00 0.00 H new ATOM 596 N LYS A 39 -6.283 0.174 6.414 1.00 0.00 N ATOM 597 CA LYS A 39 -5.836 -1.104 7.029 1.00 0.00 C ATOM 598 C LYS A 39 -5.397 -2.088 5.952 1.00 0.00 C ATOM 599 O LYS A 39 -4.286 -2.572 5.965 1.00 0.00 O ATOM 600 CB LYS A 39 -7.018 -1.720 7.834 1.00 0.00 C ATOM 601 CG LYS A 39 -6.985 -1.230 9.302 1.00 0.00 C ATOM 602 CD LYS A 39 -6.759 0.302 9.364 1.00 0.00 C ATOM 603 CE LYS A 39 -7.366 0.852 10.668 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.253 -0.157 11.759 1.00 0.00 N ATOM 0 H LYS A 39 -7.287 0.353 6.432 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.992 -0.905 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.965 -1.441 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.958 -2.808 7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.922 -1.484 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.190 -1.742 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.693 0.526 9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.220 0.785 8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.853 1.769 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.413 1.110 10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.324 0.319 12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.020 -0.853 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.335 -0.642 11.690 1.00 0.00 H new ATOM 618 N LYS A 40 -6.276 -2.344 5.036 1.00 0.00 N ATOM 619 CA LYS A 40 -5.951 -3.285 3.947 1.00 0.00 C ATOM 620 C LYS A 40 -4.598 -2.937 3.333 1.00 0.00 C ATOM 621 O LYS A 40 -3.791 -3.801 3.086 1.00 0.00 O ATOM 622 CB LYS A 40 -7.073 -3.179 2.874 1.00 0.00 C ATOM 623 CG LYS A 40 -7.171 -4.499 2.061 1.00 0.00 C ATOM 624 CD LYS A 40 -8.586 -4.635 1.473 1.00 0.00 C ATOM 625 CE LYS A 40 -8.679 -5.949 0.690 1.00 0.00 C ATOM 626 NZ LYS A 40 -9.996 -6.051 -0.005 1.00 0.00 N ATOM 0 H LYS A 40 -7.211 -1.939 4.996 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.891 -4.303 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.028 -2.970 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.866 -2.346 2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.431 -4.501 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.949 -5.351 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.328 -4.620 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.804 -3.791 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.871 -6.002 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.553 -6.793 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.043 -6.947 -0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.762 -6.021 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.102 -5.256 -0.667 1.00 0.00 H new ATOM 640 N LEU A 41 -4.373 -1.681 3.089 1.00 0.00 N ATOM 641 CA LEU A 41 -3.070 -1.299 2.497 1.00 0.00 C ATOM 642 C LEU A 41 -1.975 -1.739 3.392 1.00 0.00 C ATOM 643 O LEU A 41 -0.950 -2.220 2.952 1.00 0.00 O ATOM 644 CB LEU A 41 -2.999 0.219 2.365 1.00 0.00 C ATOM 645 CG LEU A 41 -3.975 0.657 1.295 1.00 0.00 C ATOM 646 CD1 LEU A 41 -4.063 2.183 1.327 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.490 0.166 -0.100 1.00 0.00 C ATOM 0 H LEU A 41 -5.022 -0.915 3.270 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.970 -1.769 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.242 0.693 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.987 0.529 2.104 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.959 0.227 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.762 2.523 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.411 2.507 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.078 2.608 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.198 0.485 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.509 0.590 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.423 -0.922 -0.100 1.00 0.00 H new ATOM 659 N GLY A 42 -2.197 -1.561 4.641 1.00 0.00 N ATOM 660 CA GLY A 42 -1.185 -1.961 5.598 1.00 0.00 C ATOM 661 C GLY A 42 -1.007 -3.484 5.529 1.00 0.00 C ATOM 662 O GLY A 42 0.089 -3.992 5.644 1.00 0.00 O ATOM 0 H GLY A 42 -3.043 -1.152 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.241 -1.461 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.479 -1.661 6.604 1.00 0.00 H new ATOM 666 N GLU A 43 -2.111 -4.181 5.320 1.00 0.00 N ATOM 667 CA GLU A 43 -2.049 -5.651 5.240 1.00 0.00 C ATOM 668 C GLU A 43 -1.308 -6.088 3.998 1.00 0.00 C ATOM 669 O GLU A 43 -0.311 -6.770 4.079 1.00 0.00 O ATOM 670 CB GLU A 43 -3.482 -6.188 5.153 1.00 0.00 C ATOM 671 CG GLU A 43 -4.252 -5.797 6.422 1.00 0.00 C ATOM 672 CD GLU A 43 -3.821 -6.700 7.579 1.00 0.00 C ATOM 673 OE1 GLU A 43 -4.260 -7.838 7.571 1.00 0.00 O ATOM 674 OE2 GLU A 43 -3.075 -6.200 8.406 1.00 0.00 O ATOM 0 H GLU A 43 -3.041 -3.778 5.204 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.530 -6.033 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.981 -5.783 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.469 -7.272 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.059 -4.753 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.325 -5.892 6.253 1.00 0.00 H new ATOM 681 N MET A 44 -1.809 -5.693 2.862 1.00 0.00 N ATOM 682 CA MET A 44 -1.137 -6.084 1.607 1.00 0.00 C ATOM 683 C MET A 44 0.323 -5.721 1.674 1.00 0.00 C ATOM 684 O MET A 44 1.181 -6.480 1.278 1.00 0.00 O ATOM 685 CB MET A 44 -1.808 -5.342 0.438 1.00 0.00 C ATOM 686 CG MET A 44 -3.154 -6.018 0.140 1.00 0.00 C ATOM 687 SD MET A 44 -4.239 -5.229 -1.071 1.00 0.00 S ATOM 688 CE MET A 44 -4.242 -3.589 -0.318 1.00 0.00 C ATOM 0 H MET A 44 -2.647 -5.122 2.755 1.00 0.00 H new ATOM 0 HA MET A 44 -1.222 -7.161 1.460 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.959 -4.293 0.692 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.168 -5.367 -0.444 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.951 -7.033 -0.202 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.703 -6.101 1.078 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.043 -2.991 -0.752 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.400 -3.682 0.756 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.285 -3.102 -0.503 1.00 0.00 H new ATOM 698 N TRP A 45 0.581 -4.571 2.169 1.00 0.00 N ATOM 699 CA TRP A 45 1.973 -4.136 2.281 1.00 0.00 C ATOM 700 C TRP A 45 2.720 -5.108 3.163 1.00 0.00 C ATOM 701 O TRP A 45 3.720 -5.682 2.782 1.00 0.00 O ATOM 702 CB TRP A 45 1.955 -2.762 2.957 1.00 0.00 C ATOM 703 CG TRP A 45 3.355 -2.349 3.395 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.730 -2.255 4.658 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.295 -1.918 2.591 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.956 -1.728 4.590 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.395 -1.478 3.305 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.281 -1.806 1.219 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.466 -0.925 2.645 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.356 -1.254 0.563 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.441 -0.811 1.274 1.00 0.00 C ATOM 0 H TRP A 45 -0.116 -3.906 2.504 1.00 0.00 H new ATOM 0 HA TRP A 45 2.455 -4.091 1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.552 -2.019 2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.292 -2.787 3.822 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.175 -2.538 5.540 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.519 -1.528 5.416 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.425 -2.152 0.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.325 -0.581 3.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.345 -1.169 -0.514 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.280 -0.371 0.756 1.00 0.00 H new ATOM 722 N ASN A 46 2.205 -5.264 4.327 1.00 0.00 N ATOM 723 CA ASN A 46 2.829 -6.185 5.292 1.00 0.00 C ATOM 724 C ASN A 46 3.102 -7.536 4.671 1.00 0.00 C ATOM 725 O ASN A 46 4.206 -8.038 4.728 1.00 0.00 O ATOM 726 CB ASN A 46 1.853 -6.396 6.452 1.00 0.00 C ATOM 727 CG ASN A 46 2.566 -7.151 7.578 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.338 -8.058 7.338 1.00 0.00 O ATOM 729 ND2 ASN A 46 2.334 -6.813 8.815 1.00 0.00 N ATOM 0 H ASN A 46 1.367 -4.788 4.661 1.00 0.00 H new ATOM 0 HA ASN A 46 3.772 -5.750 5.622 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.489 -5.435 6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.983 -6.959 6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.799 -7.309 9.575 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.687 -6.052 9.023 1.00 0.00 H new ATOM 736 N ASN A 47 2.091 -8.107 4.079 1.00 0.00 N ATOM 737 CA ASN A 47 2.283 -9.436 3.451 1.00 0.00 C ATOM 738 C ASN A 47 3.093 -9.347 2.164 1.00 0.00 C ATOM 739 O ASN A 47 2.883 -10.108 1.240 1.00 0.00 O ATOM 740 CB ASN A 47 0.898 -10.069 3.169 1.00 0.00 C ATOM 741 CG ASN A 47 0.196 -9.384 1.988 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.813 -8.781 1.137 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.106 -9.469 1.899 1.00 0.00 N ATOM 0 H ASN A 47 1.153 -7.714 4.005 1.00 0.00 H new ATOM 0 HA ASN A 47 2.847 -10.062 4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.019 -11.131 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.274 -9.992 4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.594 -9.030 1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.634 -9.974 2.610 1.00 0.00 H new ATOM 750 N THR A 48 4.018 -8.414 2.128 1.00 0.00 N ATOM 751 CA THR A 48 4.867 -8.248 0.906 1.00 0.00 C ATOM 752 C THR A 48 6.252 -8.828 1.154 1.00 0.00 C ATOM 753 O THR A 48 6.913 -8.468 2.107 1.00 0.00 O ATOM 754 CB THR A 48 5.014 -6.742 0.613 1.00 0.00 C ATOM 755 OG1 THR A 48 3.694 -6.256 0.489 1.00 0.00 O ATOM 756 CG2 THR A 48 5.652 -6.488 -0.775 1.00 0.00 C ATOM 0 H THR A 48 4.220 -7.765 2.888 1.00 0.00 H new ATOM 0 HA THR A 48 4.401 -8.764 0.067 1.00 0.00 H new ATOM 0 HB THR A 48 5.621 -6.282 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.186 -6.480 1.296 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.739 -5.415 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.642 -6.942 -0.809 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.024 -6.928 -1.550 1.00 0.00 H new ATOM 764 N ALA A 49 6.670 -9.717 0.296 1.00 0.00 N ATOM 765 CA ALA A 49 8.011 -10.322 0.479 1.00 0.00 C ATOM 766 C ALA A 49 9.057 -9.244 0.753 1.00 0.00 C ATOM 767 O ALA A 49 9.063 -8.209 0.122 1.00 0.00 O ATOM 768 CB ALA A 49 8.386 -11.069 -0.811 1.00 0.00 C ATOM 0 H ALA A 49 6.145 -10.046 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 49 7.984 -11.004 1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.371 -11.522 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.649 -11.848 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.404 -10.368 -1.645 1.00 0.00 H new ATOM 774 N ALA A 50 9.917 -9.499 1.696 1.00 0.00 N ATOM 775 CA ALA A 50 10.957 -8.496 2.009 1.00 0.00 C ATOM 776 C ALA A 50 11.691 -8.068 0.741 1.00 0.00 C ATOM 777 O ALA A 50 12.097 -6.930 0.612 1.00 0.00 O ATOM 778 CB ALA A 50 11.965 -9.124 2.987 1.00 0.00 C ATOM 0 H ALA A 50 9.942 -10.351 2.256 1.00 0.00 H new ATOM 0 HA ALA A 50 10.486 -7.618 2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.740 -8.396 3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.449 -9.421 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.421 -10.000 2.526 1.00 0.00 H new ATOM 784 N ASP A 51 11.849 -8.990 -0.171 1.00 0.00 N ATOM 785 CA ASP A 51 12.548 -8.658 -1.428 1.00 0.00 C ATOM 786 C ASP A 51 11.652 -7.817 -2.339 1.00 0.00 C ATOM 787 O ASP A 51 12.126 -7.152 -3.235 1.00 0.00 O ATOM 788 CB ASP A 51 12.903 -9.966 -2.146 1.00 0.00 C ATOM 789 CG ASP A 51 13.807 -10.810 -1.244 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.956 -10.422 -1.116 1.00 0.00 O ATOM 791 OD2 ASP A 51 13.296 -11.793 -0.733 1.00 0.00 O ATOM 0 H ASP A 51 11.523 -9.953 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 51 13.446 -8.085 -1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.995 -10.518 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.408 -9.752 -3.088 1.00 0.00 H new ATOM 796 N ASP A 52 10.364 -7.876 -2.094 1.00 0.00 N ATOM 797 CA ASP A 52 9.413 -7.086 -2.934 1.00 0.00 C ATOM 798 C ASP A 52 9.299 -5.656 -2.414 1.00 0.00 C ATOM 799 O ASP A 52 8.823 -4.778 -3.103 1.00 0.00 O ATOM 800 CB ASP A 52 8.024 -7.752 -2.856 1.00 0.00 C ATOM 801 CG ASP A 52 8.010 -9.014 -3.723 1.00 0.00 C ATOM 802 OD1 ASP A 52 9.033 -9.260 -4.342 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.975 -9.661 -3.720 1.00 0.00 O ATOM 0 H ASP A 52 9.935 -8.433 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 52 9.778 -7.061 -3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.789 -8.006 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.256 -7.057 -3.196 1.00 0.00 H new ATOM 808 N LYS A 53 9.726 -5.455 -1.195 1.00 0.00 N ATOM 809 CA LYS A 53 9.657 -4.089 -0.605 1.00 0.00 C ATOM 810 C LYS A 53 10.843 -3.256 -1.071 1.00 0.00 C ATOM 811 O LYS A 53 10.859 -2.051 -0.930 1.00 0.00 O ATOM 812 CB LYS A 53 9.731 -4.222 0.929 1.00 0.00 C ATOM 813 CG LYS A 53 8.385 -4.724 1.474 1.00 0.00 C ATOM 814 CD LYS A 53 8.354 -4.517 2.992 1.00 0.00 C ATOM 815 CE LYS A 53 7.075 -5.135 3.559 1.00 0.00 C ATOM 816 NZ LYS A 53 6.986 -4.892 5.028 1.00 0.00 N ATOM 0 H LYS A 53 10.117 -6.174 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 53 8.731 -3.605 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.526 -4.914 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.978 -3.259 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.563 -4.184 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.252 -5.779 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.229 -4.977 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.393 -3.453 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.205 -4.708 3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.062 -6.207 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.112 -5.318 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.807 -5.320 5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.977 -3.868 5.211 1.00 0.00 H new ATOM 830 N GLN A 54 11.808 -3.923 -1.621 1.00 0.00 N ATOM 831 CA GLN A 54 13.006 -3.226 -2.107 1.00 0.00 C ATOM 832 C GLN A 54 12.667 -1.999 -3.010 1.00 0.00 C ATOM 833 O GLN A 54 13.020 -0.905 -2.687 1.00 0.00 O ATOM 834 CB GLN A 54 13.871 -4.261 -2.886 1.00 0.00 C ATOM 835 CG GLN A 54 15.060 -4.723 -2.010 1.00 0.00 C ATOM 836 CD GLN A 54 15.595 -6.061 -2.528 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.095 -6.613 -3.486 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.606 -6.614 -1.919 1.00 0.00 N ATOM 0 H GLN A 54 11.812 -4.934 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 54 13.551 -2.823 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.261 -5.119 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.241 -3.816 -3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.851 -3.973 -2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.742 -4.825 -0.973 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.030 -6.154 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.973 -7.507 -2.248 1.00 0.00 H new ATOM 847 N PRO A 55 11.978 -2.199 -4.116 1.00 0.00 N ATOM 848 CA PRO A 55 11.646 -1.074 -4.985 1.00 0.00 C ATOM 849 C PRO A 55 11.132 0.128 -4.197 1.00 0.00 C ATOM 850 O PRO A 55 11.500 1.256 -4.462 1.00 0.00 O ATOM 851 CB PRO A 55 10.532 -1.619 -5.924 1.00 0.00 C ATOM 852 CG PRO A 55 10.465 -3.169 -5.705 1.00 0.00 C ATOM 853 CD PRO A 55 11.442 -3.504 -4.548 1.00 0.00 C ATOM 0 HA PRO A 55 12.524 -0.719 -5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.573 -1.155 -5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.757 -1.386 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.450 -3.480 -5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.747 -3.700 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.928 -4.010 -3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.239 -4.167 -4.883 1.00 0.00 H new ATOM 861 N TYR A 56 10.304 -0.141 -3.255 1.00 0.00 N ATOM 862 CA TYR A 56 9.745 0.964 -2.436 1.00 0.00 C ATOM 863 C TYR A 56 10.785 1.607 -1.520 1.00 0.00 C ATOM 864 O TYR A 56 10.965 2.809 -1.545 1.00 0.00 O ATOM 865 CB TYR A 56 8.624 0.396 -1.579 1.00 0.00 C ATOM 866 CG TYR A 56 7.446 0.050 -2.477 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.672 1.047 -3.000 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.127 -1.256 -2.739 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.566 0.748 -3.775 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.031 -1.569 -3.515 1.00 0.00 C ATOM 871 CZ TYR A 56 5.238 -0.569 -4.040 1.00 0.00 C ATOM 872 OH TYR A 56 4.137 -0.877 -4.813 1.00 0.00 O ATOM 0 H TYR A 56 9.982 -1.077 -3.007 1.00 0.00 H new ATOM 0 HA TYR A 56 9.389 1.738 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.968 -0.492 -1.049 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.322 1.121 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.926 2.079 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.740 -2.048 -2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.957 1.545 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.792 -2.603 -3.713 1.00 0.00 H new ATOM 0 HH TYR A 56 4.058 -1.850 -4.896 1.00 0.00 H new ATOM 882 N GLU A 57 11.458 0.811 -0.728 1.00 0.00 N ATOM 883 CA GLU A 57 12.472 1.409 0.176 1.00 0.00 C ATOM 884 C GLU A 57 13.574 2.032 -0.647 1.00 0.00 C ATOM 885 O GLU A 57 14.120 3.065 -0.313 1.00 0.00 O ATOM 886 CB GLU A 57 13.022 0.285 1.102 1.00 0.00 C ATOM 887 CG GLU A 57 14.149 -0.514 0.426 1.00 0.00 C ATOM 888 CD GLU A 57 15.473 0.251 0.541 1.00 0.00 C ATOM 889 OE1 GLU A 57 15.696 0.791 1.611 1.00 0.00 O ATOM 890 OE2 GLU A 57 16.188 0.245 -0.445 1.00 0.00 O ATOM 0 H GLU A 57 11.350 -0.202 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 57 12.032 2.193 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.394 0.726 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.211 -0.390 1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.243 -1.494 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.907 -0.684 -0.623 1.00 0.00 H new ATOM 897 N LYS A 58 13.868 1.379 -1.702 1.00 0.00 N ATOM 898 CA LYS A 58 14.919 1.857 -2.612 1.00 0.00 C ATOM 899 C LYS A 58 14.542 3.218 -3.174 1.00 0.00 C ATOM 900 O LYS A 58 15.364 4.108 -3.267 1.00 0.00 O ATOM 901 CB LYS A 58 15.033 0.845 -3.775 1.00 0.00 C ATOM 902 CG LYS A 58 16.290 1.152 -4.617 1.00 0.00 C ATOM 903 CD LYS A 58 17.526 0.500 -3.967 1.00 0.00 C ATOM 904 CE LYS A 58 18.704 0.588 -4.937 1.00 0.00 C ATOM 905 NZ LYS A 58 19.940 0.047 -4.305 1.00 0.00 N ATOM 0 H LYS A 58 13.417 0.510 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 58 15.864 1.947 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.087 -0.170 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.143 0.897 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.160 0.775 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.434 2.230 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.770 1.005 -3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.317 -0.541 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.478 0.029 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.863 1.625 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.731 0.114 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.163 0.598 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.790 -0.949 -4.045 1.00 0.00 H new ATOM 919 N LYS A 59 13.296 3.356 -3.535 1.00 0.00 N ATOM 920 CA LYS A 59 12.838 4.637 -4.088 1.00 0.00 C ATOM 921 C LYS A 59 13.051 5.739 -3.081 1.00 0.00 C ATOM 922 O LYS A 59 13.651 6.758 -3.370 1.00 0.00 O ATOM 923 CB LYS A 59 11.326 4.519 -4.385 1.00 0.00 C ATOM 924 CG LYS A 59 10.900 5.664 -5.309 1.00 0.00 C ATOM 925 CD LYS A 59 9.474 5.408 -5.791 1.00 0.00 C ATOM 926 CE LYS A 59 9.024 6.570 -6.681 1.00 0.00 C ATOM 927 NZ LYS A 59 8.770 7.787 -5.860 1.00 0.00 N ATOM 0 H LYS A 59 12.583 2.630 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 59 13.397 4.869 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.110 3.559 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.757 4.556 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.954 6.615 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.578 5.734 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.428 4.471 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.802 5.307 -4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.789 6.781 -7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.119 6.293 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.942 8.293 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.588 7.509 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.602 8.410 -5.896 1.00 0.00 H new ATOM 941 N ALA A 60 12.550 5.516 -1.915 1.00 0.00 N ATOM 942 CA ALA A 60 12.701 6.523 -0.862 1.00 0.00 C ATOM 943 C ALA A 60 14.170 6.738 -0.526 1.00 0.00 C ATOM 944 O ALA A 60 14.591 7.843 -0.288 1.00 0.00 O ATOM 945 CB ALA A 60 11.977 6.024 0.395 1.00 0.00 C ATOM 0 H ALA A 60 12.040 4.674 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 60 12.279 7.466 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.079 6.762 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.921 5.875 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.416 5.080 0.717 1.00 0.00 H new