USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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 18 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 99:sc= -1.53! USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -2.02 K(o=-2,f=-0.52) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -53:sc= 0.512 USER MOD Single : A 45 LYS NZ :NH3+ 142:sc= -0.898 (180deg=-2.53!) USER MOD Single : A 46 MET CE :methyl -175:sc= 0 (180deg=-0.0351) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -1.05 (180deg=-1.43) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 14 -7.389 4.396 1.759 1.00 0.00 N ATOM 175 CA ARG A 14 -7.287 2.991 2.133 1.00 0.00 C ATOM 176 C ARG A 14 -8.038 2.717 3.432 1.00 0.00 C ATOM 177 O ARG A 14 -8.332 3.637 4.196 1.00 0.00 O ATOM 178 CB ARG A 14 -5.819 2.587 2.286 1.00 0.00 C ATOM 179 CG ARG A 14 -5.006 2.751 1.012 1.00 0.00 C ATOM 180 CD ARG A 14 -5.402 1.723 -0.037 1.00 0.00 C ATOM 181 NE ARG A 14 -5.097 2.177 -1.391 1.00 0.00 N ATOM 182 CZ ARG A 14 -5.515 1.554 -2.487 1.00 0.00 C ATOM 183 NH1 ARG A 14 -6.252 0.456 -2.389 1.00 0.00 N ATOM 184 NH2 ARG A 14 -5.196 2.029 -3.685 1.00 0.00 N ATOM 0 HA ARG A 14 -7.740 2.397 1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.366 3.187 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.769 1.547 2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.152 3.755 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.945 2.650 1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.879 0.787 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.469 1.515 0.044 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.532 3.019 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.499 0.088 -1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.572 -0.021 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.629 2.873 -3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.518 1.550 -4.526 1.00 0.00 H new ATOM 198 N ALA A 15 -8.346 1.448 3.676 1.00 0.00 N ATOM 199 CA ALA A 15 -9.062 1.053 4.883 1.00 0.00 C ATOM 200 C ALA A 15 -8.145 1.086 6.101 1.00 0.00 C ATOM 201 O ALA A 15 -6.919 1.068 5.985 1.00 0.00 O ATOM 202 CB ALA A 15 -9.664 -0.333 4.710 1.00 0.00 C ATOM 0 H ALA A 15 -8.111 0.675 3.053 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.868 1.768 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.196 -0.615 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.359 -0.326 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.869 -1.053 4.516 1.00 0.00 H new ATOM 208 N PRO A 16 -8.749 1.135 7.297 1.00 0.00 N ATOM 209 CA PRO A 16 -8.005 1.172 8.559 1.00 0.00 C ATOM 210 C PRO A 16 -7.305 -0.150 8.858 1.00 0.00 C ATOM 211 O PRO A 16 -6.307 -0.185 9.576 1.00 0.00 O ATOM 212 CB PRO A 16 -9.089 1.450 9.603 1.00 0.00 C ATOM 213 CG PRO A 16 -10.346 0.936 8.990 1.00 0.00 C ATOM 214 CD PRO A 16 -10.206 1.159 7.509 1.00 0.00 C ATOM 0 HA PRO A 16 -7.210 1.918 8.541 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.872 0.944 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.163 2.515 9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.485 -0.122 9.214 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.216 1.462 9.383 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.708 0.380 6.936 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.641 2.110 7.203 1.00 0.00 H new ATOM 222 N GLU A 17 -7.837 -1.234 8.302 1.00 0.00 N ATOM 223 CA GLU A 17 -7.262 -2.558 8.510 1.00 0.00 C ATOM 224 C GLU A 17 -6.095 -2.801 7.557 1.00 0.00 C ATOM 225 O GLU A 17 -5.040 -3.287 7.963 1.00 0.00 O ATOM 226 CB GLU A 17 -8.328 -3.638 8.314 1.00 0.00 C ATOM 227 CG GLU A 17 -9.436 -3.594 9.353 1.00 0.00 C ATOM 228 CD GLU A 17 -8.910 -3.681 10.772 1.00 0.00 C ATOM 229 OE1 GLU A 17 -8.387 -4.752 11.146 1.00 0.00 O ATOM 230 OE2 GLU A 17 -9.021 -2.679 11.509 1.00 0.00 O ATOM 0 H GLU A 17 -8.664 -1.222 7.705 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.889 -2.607 9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.767 -3.528 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.851 -4.618 8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.002 -2.670 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.128 -4.417 9.175 1.00 0.00 H new ATOM 237 N GLN A 18 -6.295 -2.460 6.288 1.00 0.00 N ATOM 238 CA GLN A 18 -5.261 -2.643 5.276 1.00 0.00 C ATOM 239 C GLN A 18 -4.028 -1.805 5.601 1.00 0.00 C ATOM 240 O GLN A 18 -2.902 -2.305 5.581 1.00 0.00 O ATOM 241 CB GLN A 18 -5.797 -2.267 3.894 1.00 0.00 C ATOM 242 CG GLN A 18 -7.067 -3.010 3.511 1.00 0.00 C ATOM 243 CD GLN A 18 -7.631 -2.555 2.180 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.731 -2.004 2.115 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.880 -2.782 1.109 1.00 0.00 N ATOM 0 H GLN A 18 -7.163 -2.056 5.936 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.974 -3.694 5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.992 -1.195 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.029 -2.469 3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.858 -4.079 3.466 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.817 -2.864 4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.975 -3.242 1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.208 -2.497 0.186 1.00 0.00 H new ATOM 254 N LEU A 19 -4.248 -0.530 5.901 1.00 0.00 N ATOM 255 CA LEU A 19 -3.154 0.378 6.230 1.00 0.00 C ATOM 256 C LEU A 19 -2.302 -0.185 7.362 1.00 0.00 C ATOM 257 O LEU A 19 -1.090 -0.345 7.219 1.00 0.00 O ATOM 258 CB LEU A 19 -3.705 1.750 6.624 1.00 0.00 C ATOM 259 CG LEU A 19 -4.041 2.695 5.470 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.606 4.004 6.000 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.808 2.952 4.616 1.00 0.00 C ATOM 0 H LEU A 19 -5.173 -0.101 5.923 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.525 0.486 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.606 1.600 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.976 2.241 7.268 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.799 2.221 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.839 4.664 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.514 3.804 6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.870 4.483 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.065 3.627 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.029 3.405 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.446 2.009 4.207 1.00 0.00 H new ATOM 273 N ARG A 20 -2.944 -0.485 8.487 1.00 0.00 N ATOM 274 CA ARG A 20 -2.244 -1.031 9.644 1.00 0.00 C ATOM 275 C ARG A 20 -1.106 -1.948 9.207 1.00 0.00 C ATOM 276 O ARG A 20 0.016 -1.840 9.702 1.00 0.00 O ATOM 277 CB ARG A 20 -3.218 -1.799 10.539 1.00 0.00 C ATOM 278 CG ARG A 20 -2.579 -2.346 11.805 1.00 0.00 C ATOM 279 CD ARG A 20 -3.628 -2.749 12.829 1.00 0.00 C ATOM 280 NE ARG A 20 -4.360 -3.946 12.421 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.884 -5.179 12.555 1.00 0.00 C ATOM 282 NH1 ARG A 20 -2.685 -5.377 13.085 1.00 0.00 N ATOM 283 NH2 ARG A 20 -4.610 -6.217 12.160 1.00 0.00 N ATOM 0 H ARG A 20 -3.947 -0.359 8.622 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.821 -0.200 10.208 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.042 -1.141 10.813 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.645 -2.626 9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.960 -3.208 11.558 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.919 -1.593 12.236 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.146 -2.929 13.790 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.329 -1.927 12.973 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.287 -3.829 12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.125 -4.581 13.391 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.322 -6.325 13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.534 -6.068 11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.245 -7.164 12.263 1.00 0.00 H new ATOM 297 N ALA A 21 -1.403 -2.851 8.278 1.00 0.00 N ATOM 298 CA ALA A 21 -0.404 -3.786 7.774 1.00 0.00 C ATOM 299 C ALA A 21 0.613 -3.077 6.886 1.00 0.00 C ATOM 300 O ALA A 21 1.813 -3.339 6.968 1.00 0.00 O ATOM 301 CB ALA A 21 -1.078 -4.916 7.011 1.00 0.00 C ATOM 0 H ALA A 21 -2.327 -2.955 7.859 1.00 0.00 H new ATOM 0 HA ALA A 21 0.129 -4.206 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.321 -5.607 6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.760 -5.447 7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.637 -4.505 6.170 1.00 0.00 H new ATOM 307 N LEU A 22 0.125 -2.179 6.037 1.00 0.00 N ATOM 308 CA LEU A 22 0.992 -1.432 5.132 1.00 0.00 C ATOM 309 C LEU A 22 1.913 -0.496 5.909 1.00 0.00 C ATOM 310 O LEU A 22 3.130 -0.675 5.916 1.00 0.00 O ATOM 311 CB LEU A 22 0.152 -0.629 4.137 1.00 0.00 C ATOM 312 CG LEU A 22 -0.652 -1.445 3.125 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.597 -0.546 2.344 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.280 -2.190 2.180 1.00 0.00 C ATOM 0 H LEU A 22 -0.866 -1.951 5.956 1.00 0.00 H new ATOM 0 HA LEU A 22 1.608 -2.146 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.540 -0.002 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.815 0.040 3.589 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.248 -2.178 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.161 -1.145 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.287 -0.058 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.022 0.210 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.309 -2.766 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.902 -1.474 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.916 -2.865 2.753 1.00 0.00 H new ATOM 326 N GLU A 23 1.323 0.499 6.563 1.00 0.00 N ATOM 327 CA GLU A 23 2.091 1.461 7.344 1.00 0.00 C ATOM 328 C GLU A 23 3.218 0.768 8.105 1.00 0.00 C ATOM 329 O GLU A 23 4.337 1.275 8.177 1.00 0.00 O ATOM 330 CB GLU A 23 1.179 2.202 8.323 1.00 0.00 C ATOM 331 CG GLU A 23 0.323 3.272 7.668 1.00 0.00 C ATOM 332 CD GLU A 23 -0.071 4.375 8.631 1.00 0.00 C ATOM 333 OE1 GLU A 23 0.807 5.187 8.992 1.00 0.00 O ATOM 334 OE2 GLU A 23 -1.255 4.427 9.023 1.00 0.00 O ATOM 0 H GLU A 23 0.316 0.660 6.568 1.00 0.00 H new ATOM 0 HA GLU A 23 2.531 2.181 6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.528 1.480 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.791 2.663 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.868 3.705 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.577 2.812 7.260 1.00 0.00 H new ATOM 341 N SER A 24 2.912 -0.394 8.673 1.00 0.00 N ATOM 342 CA SER A 24 3.896 -1.156 9.433 1.00 0.00 C ATOM 343 C SER A 24 5.055 -1.590 8.540 1.00 0.00 C ATOM 344 O SER A 24 6.219 -1.514 8.933 1.00 0.00 O ATOM 345 CB SER A 24 3.241 -2.383 10.071 1.00 0.00 C ATOM 346 OG SER A 24 4.202 -3.188 10.732 1.00 0.00 O ATOM 0 H SER A 24 1.991 -0.828 8.621 1.00 0.00 H new ATOM 0 HA SER A 24 4.288 -0.512 10.220 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.479 -2.064 10.782 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.736 -2.970 9.304 1.00 0.00 H new ATOM 0 HG SER A 24 3.758 -3.965 11.133 1.00 0.00 H new ATOM 352 N SER A 25 4.726 -2.047 7.335 1.00 0.00 N ATOM 353 CA SER A 25 5.738 -2.497 6.387 1.00 0.00 C ATOM 354 C SER A 25 6.561 -1.321 5.871 1.00 0.00 C ATOM 355 O SER A 25 7.787 -1.399 5.779 1.00 0.00 O ATOM 356 CB SER A 25 5.079 -3.226 5.214 1.00 0.00 C ATOM 357 OG SER A 25 6.046 -3.883 4.413 1.00 0.00 O ATOM 0 H SER A 25 3.767 -2.115 6.993 1.00 0.00 H new ATOM 0 HA SER A 25 6.406 -3.185 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.360 -3.953 5.591 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.522 -2.513 4.606 1.00 0.00 H new ATOM 0 HG SER A 25 6.081 -4.832 4.655 1.00 0.00 H new ATOM 363 N PHE A 26 5.879 -0.231 5.536 1.00 0.00 N ATOM 364 CA PHE A 26 6.546 0.962 5.028 1.00 0.00 C ATOM 365 C PHE A 26 7.791 1.281 5.851 1.00 0.00 C ATOM 366 O PHE A 26 8.879 1.460 5.305 1.00 0.00 O ATOM 367 CB PHE A 26 5.588 2.155 5.048 1.00 0.00 C ATOM 368 CG PHE A 26 6.102 3.350 4.296 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.498 3.234 2.973 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.189 4.588 4.912 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.972 4.331 2.279 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.661 5.689 4.223 1.00 0.00 C ATOM 373 CZ PHE A 26 7.053 5.560 2.905 1.00 0.00 C ATOM 0 H PHE A 26 4.865 -0.149 5.607 1.00 0.00 H new ATOM 0 HA PHE A 26 6.852 0.767 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.632 1.851 4.621 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.398 2.441 6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.435 2.276 2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.884 4.694 5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.279 4.228 1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.723 6.649 4.714 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.422 6.419 2.364 1.00 0.00 H new ATOM 383 N ALA A 27 7.621 1.352 7.167 1.00 0.00 N ATOM 384 CA ALA A 27 8.729 1.648 8.066 1.00 0.00 C ATOM 385 C ALA A 27 9.996 0.918 7.633 1.00 0.00 C ATOM 386 O ALA A 27 11.075 1.508 7.578 1.00 0.00 O ATOM 387 CB ALA A 27 8.364 1.275 9.495 1.00 0.00 C ATOM 0 H ALA A 27 6.726 1.208 7.634 1.00 0.00 H new ATOM 0 HA ALA A 27 8.925 2.719 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.201 1.502 10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.490 1.846 9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.139 0.210 9.547 1.00 0.00 H new ATOM 393 N GLN A 28 9.858 -0.369 7.329 1.00 0.00 N ATOM 394 CA GLN A 28 10.993 -1.179 6.903 1.00 0.00 C ATOM 395 C GLN A 28 11.537 -0.692 5.564 1.00 0.00 C ATOM 396 O GLN A 28 12.726 -0.404 5.434 1.00 0.00 O ATOM 397 CB GLN A 28 10.586 -2.650 6.798 1.00 0.00 C ATOM 398 CG GLN A 28 10.053 -3.228 8.099 1.00 0.00 C ATOM 399 CD GLN A 28 10.250 -4.728 8.194 1.00 0.00 C ATOM 400 OE1 GLN A 28 9.405 -5.506 7.752 1.00 0.00 O ATOM 401 NE2 GLN A 28 11.371 -5.142 8.774 1.00 0.00 N ATOM 0 H GLN A 28 8.972 -0.873 7.370 1.00 0.00 H new ATOM 0 HA GLN A 28 11.779 -1.080 7.651 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.824 -2.753 6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.448 -3.235 6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.553 -2.746 8.939 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.991 -2.998 8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.044 -4.462 9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.559 -6.140 8.867 1.00 0.00 H new ATOM 410 N ASN A 29 10.658 -0.604 4.571 1.00 0.00 N ATOM 411 CA ASN A 29 11.051 -0.154 3.240 1.00 0.00 C ATOM 412 C ASN A 29 9.839 0.333 2.451 1.00 0.00 C ATOM 413 O ASN A 29 8.739 -0.208 2.559 1.00 0.00 O ATOM 414 CB ASN A 29 11.748 -1.285 2.481 1.00 0.00 C ATOM 415 CG ASN A 29 11.255 -2.655 2.905 1.00 0.00 C ATOM 416 OD1 ASN A 29 11.816 -3.277 3.807 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.201 -3.132 2.254 1.00 0.00 N ATOM 0 H ASN A 29 9.669 -0.838 4.662 1.00 0.00 H new ATOM 0 HA ASN A 29 11.746 0.678 3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.582 -1.157 1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.823 -1.221 2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.825 -4.049 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.767 -2.582 1.513 1.00 0.00 H new ATOM 424 N PRO A 30 10.045 1.379 1.637 1.00 0.00 N ATOM 425 CA PRO A 30 8.982 1.962 0.813 1.00 0.00 C ATOM 426 C PRO A 30 8.556 1.037 -0.322 1.00 0.00 C ATOM 427 O PRO A 30 7.386 1.005 -0.706 1.00 0.00 O ATOM 428 CB PRO A 30 9.623 3.234 0.254 1.00 0.00 C ATOM 429 CG PRO A 30 11.087 2.958 0.267 1.00 0.00 C ATOM 430 CD PRO A 30 11.331 2.074 1.459 1.00 0.00 C ATOM 0 HA PRO A 30 8.074 2.144 1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.269 3.445 -0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.378 4.102 0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.400 2.466 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.658 3.883 0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.145 1.372 1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.600 2.655 2.342 1.00 0.00 H new ATOM 438 N LEU A 31 9.512 0.285 -0.856 1.00 0.00 N ATOM 439 CA LEU A 31 9.236 -0.642 -1.948 1.00 0.00 C ATOM 440 C LEU A 31 9.667 -2.059 -1.582 1.00 0.00 C ATOM 441 O LEU A 31 10.753 -2.516 -1.940 1.00 0.00 O ATOM 442 CB LEU A 31 9.956 -0.191 -3.221 1.00 0.00 C ATOM 443 CG LEU A 31 9.530 1.163 -3.788 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.217 1.424 -5.120 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.017 1.223 -3.946 1.00 0.00 C ATOM 0 H LEU A 31 10.485 0.299 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 31 8.161 -0.644 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.026 -0.156 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.803 -0.949 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 31 9.834 1.941 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.902 2.392 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.298 1.424 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.945 0.642 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.732 2.194 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.691 0.436 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.544 1.082 -2.974 1.00 0.00 H new ATOM 457 N PRO A 32 8.796 -2.773 -0.853 1.00 0.00 N ATOM 458 CA PRO A 32 9.063 -4.149 -0.425 1.00 0.00 C ATOM 459 C PRO A 32 9.045 -5.133 -1.590 1.00 0.00 C ATOM 460 O PRO A 32 8.368 -4.908 -2.595 1.00 0.00 O ATOM 461 CB PRO A 32 7.917 -4.447 0.545 1.00 0.00 C ATOM 462 CG PRO A 32 6.816 -3.537 0.122 1.00 0.00 C ATOM 463 CD PRO A 32 7.483 -2.291 -0.392 1.00 0.00 C ATOM 0 HA PRO A 32 10.053 -4.253 0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.611 -5.492 0.487 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.213 -4.258 1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.203 -3.999 -0.652 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.155 -3.309 0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.914 -1.836 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.583 -1.537 0.389 1.00 0.00 H new ATOM 471 N LEU A 33 9.791 -6.223 -1.450 1.00 0.00 N ATOM 472 CA LEU A 33 9.860 -7.242 -2.492 1.00 0.00 C ATOM 473 C LEU A 33 8.585 -8.079 -2.520 1.00 0.00 C ATOM 474 O LEU A 33 7.673 -7.866 -1.720 1.00 0.00 O ATOM 475 CB LEU A 33 11.072 -8.147 -2.268 1.00 0.00 C ATOM 476 CG LEU A 33 12.442 -7.498 -2.472 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.546 -8.404 -1.952 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.664 -7.174 -3.943 1.00 0.00 C ATOM 0 H LEU A 33 10.357 -6.424 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 33 9.963 -6.738 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.025 -8.538 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.993 -9.000 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 33 12.469 -6.567 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.513 -7.925 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.397 -8.586 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.521 -9.352 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.643 -6.713 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.616 -8.092 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.891 -6.485 -4.284 1.00 0.00 H new ATOM 490 N ASP A 34 8.529 -9.031 -3.444 1.00 0.00 N ATOM 491 CA ASP A 34 7.367 -9.902 -3.575 1.00 0.00 C ATOM 492 C ASP A 34 7.097 -10.647 -2.271 1.00 0.00 C ATOM 493 O ASP A 34 5.981 -10.627 -1.754 1.00 0.00 O ATOM 494 CB ASP A 34 7.577 -10.902 -4.713 1.00 0.00 C ATOM 495 CG ASP A 34 9.038 -11.259 -4.908 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.586 -11.997 -4.062 1.00 0.00 O ATOM 497 OD2 ASP A 34 9.633 -10.801 -5.906 1.00 0.00 O ATOM 0 H ASP A 34 9.275 -9.219 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 34 6.502 -9.280 -3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.009 -11.809 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.182 -10.483 -5.638 1.00 0.00 H new ATOM 502 N GLU A 35 8.127 -11.304 -1.747 1.00 0.00 N ATOM 503 CA GLU A 35 7.999 -12.057 -0.504 1.00 0.00 C ATOM 504 C GLU A 35 7.301 -11.224 0.567 1.00 0.00 C ATOM 505 O GLU A 35 6.200 -11.555 1.005 1.00 0.00 O ATOM 506 CB GLU A 35 9.377 -12.498 -0.006 1.00 0.00 C ATOM 507 CG GLU A 35 10.171 -13.288 -1.032 1.00 0.00 C ATOM 508 CD GLU A 35 9.898 -14.778 -0.961 1.00 0.00 C ATOM 509 OE1 GLU A 35 8.727 -15.156 -0.744 1.00 0.00 O ATOM 510 OE2 GLU A 35 10.853 -15.565 -1.123 1.00 0.00 O ATOM 0 H GLU A 35 9.058 -11.330 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 35 7.393 -12.941 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.949 -11.616 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.253 -13.105 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.929 -12.925 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.235 -13.110 -0.878 1.00 0.00 H new ATOM 517 N GLU A 36 7.952 -10.142 0.985 1.00 0.00 N ATOM 518 CA GLU A 36 7.394 -9.263 2.006 1.00 0.00 C ATOM 519 C GLU A 36 5.980 -8.825 1.634 1.00 0.00 C ATOM 520 O GLU A 36 5.143 -8.586 2.505 1.00 0.00 O ATOM 521 CB GLU A 36 8.287 -8.035 2.196 1.00 0.00 C ATOM 522 CG GLU A 36 7.697 -6.993 3.132 1.00 0.00 C ATOM 523 CD GLU A 36 7.401 -7.549 4.511 1.00 0.00 C ATOM 524 OE1 GLU A 36 6.420 -8.310 4.646 1.00 0.00 O ATOM 525 OE2 GLU A 36 8.150 -7.222 5.456 1.00 0.00 O ATOM 0 H GLU A 36 8.865 -9.854 0.633 1.00 0.00 H new ATOM 0 HA GLU A 36 7.349 -9.819 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.253 -8.356 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.471 -7.576 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.391 -6.157 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.778 -6.599 2.698 1.00 0.00 H new ATOM 532 N LEU A 37 5.722 -8.722 0.335 1.00 0.00 N ATOM 533 CA LEU A 37 4.410 -8.312 -0.154 1.00 0.00 C ATOM 534 C LEU A 37 3.395 -9.439 0.002 1.00 0.00 C ATOM 535 O LEU A 37 2.221 -9.196 0.286 1.00 0.00 O ATOM 536 CB LEU A 37 4.500 -7.891 -1.622 1.00 0.00 C ATOM 537 CG LEU A 37 4.975 -6.462 -1.883 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.092 -6.202 -3.377 1.00 0.00 C ATOM 539 CD2 LEU A 37 4.029 -5.459 -1.238 1.00 0.00 C ATOM 0 H LEU A 37 6.404 -8.917 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 37 4.076 -7.462 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.175 -8.576 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.516 -8.014 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 37 5.962 -6.341 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.431 -5.180 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.809 -6.898 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.119 -6.342 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.383 -4.447 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.029 -5.581 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.996 -5.630 -0.162 1.00 0.00 H new ATOM 551 N ASP A 38 3.853 -10.672 -0.182 1.00 0.00 N ATOM 552 CA ASP A 38 2.986 -11.837 -0.058 1.00 0.00 C ATOM 553 C ASP A 38 2.321 -11.877 1.314 1.00 0.00 C ATOM 554 O ASP A 38 1.160 -12.265 1.441 1.00 0.00 O ATOM 555 CB ASP A 38 3.784 -13.121 -0.289 1.00 0.00 C ATOM 556 CG ASP A 38 2.915 -14.265 -0.774 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.053 -14.725 0.004 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.097 -14.700 -1.930 1.00 0.00 O ATOM 0 H ASP A 38 4.821 -10.890 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 38 2.207 -11.761 -0.817 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.569 -12.930 -1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.276 -13.411 0.639 1.00 0.00 H new ATOM 563 N ARG A 39 3.066 -11.473 2.338 1.00 0.00 N ATOM 564 CA ARG A 39 2.549 -11.464 3.702 1.00 0.00 C ATOM 565 C ARG A 39 1.492 -10.377 3.875 1.00 0.00 C ATOM 566 O ARG A 39 0.375 -10.648 4.319 1.00 0.00 O ATOM 567 CB ARG A 39 3.688 -11.247 4.700 1.00 0.00 C ATOM 568 CG ARG A 39 4.466 -12.512 5.021 1.00 0.00 C ATOM 569 CD ARG A 39 3.657 -13.456 5.897 1.00 0.00 C ATOM 570 NE ARG A 39 4.486 -14.509 6.477 1.00 0.00 N ATOM 571 CZ ARG A 39 4.055 -15.355 7.406 1.00 0.00 C ATOM 572 NH1 ARG A 39 2.811 -15.272 7.857 1.00 0.00 N ATOM 573 NH2 ARG A 39 4.869 -16.287 7.885 1.00 0.00 N ATOM 0 H ARG A 39 4.029 -11.148 2.249 1.00 0.00 H new ATOM 0 HA ARG A 39 2.085 -12.431 3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.374 -10.501 4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.278 -10.839 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.739 -13.018 4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.395 -12.250 5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.179 -12.889 6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.860 -13.906 5.305 1.00 0.00 H new ATOM 0 HE ARG A 39 5.448 -14.600 6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.182 -14.557 7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.483 -15.923 8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.826 -16.354 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.537 -16.936 8.598 1.00 0.00 H new ATOM 587 N LEU A 40 1.852 -9.148 3.524 1.00 0.00 N ATOM 588 CA LEU A 40 0.935 -8.019 3.642 1.00 0.00 C ATOM 589 C LEU A 40 -0.359 -8.287 2.880 1.00 0.00 C ATOM 590 O LEU A 40 -1.447 -7.949 3.346 1.00 0.00 O ATOM 591 CB LEU A 40 1.595 -6.743 3.116 1.00 0.00 C ATOM 592 CG LEU A 40 2.745 -6.188 3.956 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.501 -5.117 3.184 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.224 -5.631 5.272 1.00 0.00 C ATOM 0 H LEU A 40 2.772 -8.907 3.155 1.00 0.00 H new ATOM 0 HA LEU A 40 0.694 -7.887 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.967 -6.938 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.830 -5.971 3.029 1.00 0.00 H new ATOM 0 HG LEU A 40 3.434 -7.003 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.316 -4.733 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.907 -5.547 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.822 -4.302 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.057 -5.240 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.513 -4.829 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.728 -6.424 5.832 1.00 0.00 H new ATOM 606 N ARG A 41 -0.233 -8.899 1.706 1.00 0.00 N ATOM 607 CA ARG A 41 -1.392 -9.213 0.880 1.00 0.00 C ATOM 608 C ARG A 41 -2.471 -9.915 1.701 1.00 0.00 C ATOM 609 O ARG A 41 -3.661 -9.798 1.409 1.00 0.00 O ATOM 610 CB ARG A 41 -0.980 -10.096 -0.299 1.00 0.00 C ATOM 611 CG ARG A 41 -0.547 -9.309 -1.526 1.00 0.00 C ATOM 612 CD ARG A 41 -0.731 -10.119 -2.800 1.00 0.00 C ATOM 613 NE ARG A 41 -2.030 -10.784 -2.843 1.00 0.00 N ATOM 614 CZ ARG A 41 -2.277 -11.867 -3.572 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.318 -12.404 -4.314 1.00 0.00 N ATOM 616 NH2 ARG A 41 -3.485 -12.416 -3.559 1.00 0.00 N ATOM 0 H ARG A 41 0.660 -9.187 1.306 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.800 -8.276 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.162 -10.746 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.816 -10.742 -0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.126 -8.388 -1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.499 -9.021 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.631 -9.463 -3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.061 -10.865 -2.873 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.789 -10.396 -2.283 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.388 -11.986 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.511 -13.235 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.225 -12.007 -2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.673 -13.247 -4.119 1.00 0.00 H new ATOM 630 N SER A 42 -2.045 -10.643 2.729 1.00 0.00 N ATOM 631 CA SER A 42 -2.974 -11.366 3.589 1.00 0.00 C ATOM 632 C SER A 42 -3.873 -10.399 4.353 1.00 0.00 C ATOM 633 O SER A 42 -5.084 -10.598 4.440 1.00 0.00 O ATOM 634 CB SER A 42 -2.206 -12.252 4.573 1.00 0.00 C ATOM 635 OG SER A 42 -3.093 -13.013 5.374 1.00 0.00 O ATOM 0 H SER A 42 -1.063 -10.747 2.986 1.00 0.00 H new ATOM 0 HA SER A 42 -3.601 -11.995 2.957 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.543 -12.920 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.577 -11.631 5.211 1.00 0.00 H new ATOM 0 HG SER A 42 -2.578 -13.571 5.993 1.00 0.00 H new ATOM 641 N GLU A 43 -3.269 -9.351 4.905 1.00 0.00 N ATOM 642 CA GLU A 43 -4.015 -8.353 5.663 1.00 0.00 C ATOM 643 C GLU A 43 -4.679 -7.345 4.729 1.00 0.00 C ATOM 644 O GLU A 43 -5.889 -7.121 4.797 1.00 0.00 O ATOM 645 CB GLU A 43 -3.089 -7.625 6.640 1.00 0.00 C ATOM 646 CG GLU A 43 -2.319 -8.559 7.558 1.00 0.00 C ATOM 647 CD GLU A 43 -1.895 -7.888 8.850 1.00 0.00 C ATOM 648 OE1 GLU A 43 -2.729 -7.806 9.777 1.00 0.00 O ATOM 649 OE2 GLU A 43 -0.731 -7.444 8.935 1.00 0.00 O ATOM 0 H GLU A 43 -2.267 -9.171 4.842 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.793 -8.869 6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.381 -7.020 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.681 -6.939 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.937 -9.426 7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.435 -8.927 7.037 1.00 0.00 H new ATOM 656 N THR A 44 -3.880 -6.739 3.856 1.00 0.00 N ATOM 657 CA THR A 44 -4.389 -5.755 2.910 1.00 0.00 C ATOM 658 C THR A 44 -5.380 -6.386 1.939 1.00 0.00 C ATOM 659 O THR A 44 -6.253 -5.708 1.398 1.00 0.00 O ATOM 660 CB THR A 44 -3.246 -5.104 2.107 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.460 -6.115 1.466 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.358 -4.264 3.014 1.00 0.00 C ATOM 0 H THR A 44 -2.877 -6.913 3.785 1.00 0.00 H new ATOM 0 HA THR A 44 -4.896 -4.988 3.495 1.00 0.00 H new ATOM 0 HB THR A 44 -3.687 -4.453 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.171 -6.775 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.558 -3.814 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.953 -3.478 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.926 -4.898 3.789 1.00 0.00 H new ATOM 670 N LYS A 45 -5.241 -7.690 1.723 1.00 0.00 N ATOM 671 CA LYS A 45 -6.126 -8.415 0.819 1.00 0.00 C ATOM 672 C LYS A 45 -6.105 -7.796 -0.575 1.00 0.00 C ATOM 673 O LYS A 45 -7.139 -7.698 -1.236 1.00 0.00 O ATOM 674 CB LYS A 45 -7.555 -8.419 1.366 1.00 0.00 C ATOM 675 CG LYS A 45 -7.726 -9.268 2.614 1.00 0.00 C ATOM 676 CD LYS A 45 -8.068 -10.708 2.266 1.00 0.00 C ATOM 677 CE LYS A 45 -9.550 -10.872 1.966 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.869 -10.543 0.550 1.00 0.00 N ATOM 0 H LYS A 45 -4.523 -8.267 2.162 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.769 -9.442 0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.852 -7.395 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.230 -8.785 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.808 -9.243 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.515 -8.846 3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.484 -11.023 1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.789 -11.360 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.852 -11.898 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.128 -10.227 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.593 -11.200 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.228 -9.569 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.009 -10.630 -0.029 1.00 0.00 H new ATOM 692 N MET A 46 -4.922 -7.380 -1.016 1.00 0.00 N ATOM 693 CA MET A 46 -4.768 -6.773 -2.333 1.00 0.00 C ATOM 694 C MET A 46 -3.740 -7.533 -3.165 1.00 0.00 C ATOM 695 O MET A 46 -3.127 -8.490 -2.691 1.00 0.00 O ATOM 696 CB MET A 46 -4.349 -5.308 -2.197 1.00 0.00 C ATOM 697 CG MET A 46 -5.358 -4.455 -1.444 1.00 0.00 C ATOM 698 SD MET A 46 -5.273 -2.713 -1.901 1.00 0.00 S ATOM 699 CE MET A 46 -3.607 -2.308 -1.383 1.00 0.00 C ATOM 0 H MET A 46 -4.057 -7.452 -0.481 1.00 0.00 H new ATOM 0 HA MET A 46 -5.730 -6.822 -2.843 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.389 -5.259 -1.683 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.200 -4.887 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.363 -4.829 -1.640 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.184 -4.554 -0.373 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.433 -1.240 -1.518 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.480 -2.566 -0.332 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.892 -2.870 -1.984 1.00 0.00 H new ATOM 709 N THR A 47 -3.556 -7.101 -4.409 1.00 0.00 N ATOM 710 CA THR A 47 -2.603 -7.742 -5.307 1.00 0.00 C ATOM 711 C THR A 47 -1.309 -6.941 -5.396 1.00 0.00 C ATOM 712 O THR A 47 -1.280 -5.753 -5.077 1.00 0.00 O ATOM 713 CB THR A 47 -3.189 -7.908 -6.721 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.703 -6.656 -7.190 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.297 -8.951 -6.729 1.00 0.00 C ATOM 0 H THR A 47 -4.054 -6.310 -4.817 1.00 0.00 H new ATOM 0 HA THR A 47 -2.390 -8.727 -4.892 1.00 0.00 H new ATOM 0 HB THR A 47 -2.391 -8.243 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.072 -6.771 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.696 -9.051 -7.739 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.896 -9.910 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.094 -8.640 -6.053 1.00 0.00 H new ATOM 723 N ARG A 48 -0.240 -7.600 -5.833 1.00 0.00 N ATOM 724 CA ARG A 48 1.058 -6.950 -5.964 1.00 0.00 C ATOM 725 C ARG A 48 0.916 -5.580 -6.622 1.00 0.00 C ATOM 726 O ARG A 48 1.499 -4.597 -6.164 1.00 0.00 O ATOM 727 CB ARG A 48 2.010 -7.824 -6.781 1.00 0.00 C ATOM 728 CG ARG A 48 2.821 -8.795 -5.939 1.00 0.00 C ATOM 729 CD ARG A 48 1.921 -9.723 -5.137 1.00 0.00 C ATOM 730 NE ARG A 48 1.529 -10.902 -5.904 1.00 0.00 N ATOM 731 CZ ARG A 48 2.379 -11.852 -6.277 1.00 0.00 C ATOM 732 NH1 ARG A 48 3.661 -11.763 -5.954 1.00 0.00 N ATOM 733 NH2 ARG A 48 1.946 -12.896 -6.973 1.00 0.00 N ATOM 0 H ARG A 48 -0.248 -8.584 -6.102 1.00 0.00 H new ATOM 0 HA ARG A 48 1.470 -6.813 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.433 -8.387 -7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.692 -7.181 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.470 -9.385 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.468 -8.238 -5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.439 -10.036 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.029 -9.181 -4.824 1.00 0.00 H new ATOM 0 HE ARG A 48 0.549 -11.001 -6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.997 -10.963 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.311 -12.494 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.960 -12.969 -7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.600 -13.625 -7.259 1.00 0.00 H new ATOM 747 N ARG A 49 0.137 -5.525 -7.698 1.00 0.00 N ATOM 748 CA ARG A 49 -0.080 -4.277 -8.420 1.00 0.00 C ATOM 749 C ARG A 49 -0.773 -3.248 -7.531 1.00 0.00 C ATOM 750 O ARG A 49 -0.408 -2.073 -7.526 1.00 0.00 O ATOM 751 CB ARG A 49 -0.917 -4.528 -9.675 1.00 0.00 C ATOM 752 CG ARG A 49 -2.253 -5.197 -9.392 1.00 0.00 C ATOM 753 CD ARG A 49 -3.126 -5.246 -10.637 1.00 0.00 C ATOM 754 NE ARG A 49 -2.830 -6.410 -11.467 1.00 0.00 N ATOM 755 CZ ARG A 49 -1.859 -6.439 -12.373 1.00 0.00 C ATOM 756 NH1 ARG A 49 -1.094 -5.373 -12.565 1.00 0.00 N ATOM 757 NH2 ARG A 49 -1.652 -7.536 -13.090 1.00 0.00 N ATOM 0 H ARG A 49 -0.354 -6.329 -8.088 1.00 0.00 H new ATOM 0 HA ARG A 49 0.893 -3.882 -8.713 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.095 -3.578 -10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.346 -5.152 -10.363 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.084 -6.209 -9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.773 -4.654 -8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.175 -5.268 -10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.977 -4.337 -11.220 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.400 -7.247 -11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.250 -4.528 -12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.349 -5.399 -13.261 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.239 -8.358 -12.946 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.906 -7.557 -13.786 1.00 0.00 H new ATOM 771 N GLU A 50 -1.774 -3.699 -6.781 1.00 0.00 N ATOM 772 CA GLU A 50 -2.518 -2.817 -5.890 1.00 0.00 C ATOM 773 C GLU A 50 -1.601 -2.219 -4.826 1.00 0.00 C ATOM 774 O GLU A 50 -1.500 -0.999 -4.694 1.00 0.00 O ATOM 775 CB GLU A 50 -3.664 -3.579 -5.222 1.00 0.00 C ATOM 776 CG GLU A 50 -4.914 -3.674 -6.080 1.00 0.00 C ATOM 777 CD GLU A 50 -6.108 -4.210 -5.315 1.00 0.00 C ATOM 778 OE1 GLU A 50 -5.945 -5.211 -4.586 1.00 0.00 O ATOM 779 OE2 GLU A 50 -7.206 -3.629 -5.446 1.00 0.00 O ATOM 0 H GLU A 50 -2.088 -4.669 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.931 -2.004 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.325 -4.585 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.916 -3.089 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.154 -2.687 -6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.715 -4.320 -6.935 1.00 0.00 H new ATOM 786 N ILE A 51 -0.936 -3.087 -4.071 1.00 0.00 N ATOM 787 CA ILE A 51 -0.028 -2.646 -3.020 1.00 0.00 C ATOM 788 C ILE A 51 1.075 -1.757 -3.584 1.00 0.00 C ATOM 789 O ILE A 51 1.286 -0.639 -3.113 1.00 0.00 O ATOM 790 CB ILE A 51 0.614 -3.842 -2.292 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.465 -4.706 -1.635 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.615 -3.355 -1.255 1.00 0.00 C ATOM 793 CD1 ILE A 51 0.068 -5.994 -1.048 1.00 0.00 C ATOM 0 H ILE A 51 -1.009 -4.100 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.623 -2.075 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 51 1.145 -4.451 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.950 -4.130 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.230 -4.942 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.060 -4.212 -0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.397 -2.778 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.106 -2.727 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.751 -6.556 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.528 -6.590 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.812 -5.766 -0.285 1.00 0.00 H new ATOM 805 N ASP A 52 1.773 -2.260 -4.596 1.00 0.00 N ATOM 806 CA ASP A 52 2.853 -1.510 -5.227 1.00 0.00 C ATOM 807 C ASP A 52 2.433 -0.067 -5.487 1.00 0.00 C ATOM 808 O ASP A 52 3.187 0.868 -5.218 1.00 0.00 O ATOM 809 CB ASP A 52 3.268 -2.178 -6.538 1.00 0.00 C ATOM 810 CG ASP A 52 4.648 -1.749 -6.995 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.615 -1.943 -6.228 1.00 0.00 O ATOM 812 OD2 ASP A 52 4.763 -1.221 -8.121 1.00 0.00 O ATOM 0 H ASP A 52 1.610 -3.184 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 52 3.704 -1.504 -4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.250 -3.261 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.540 -1.935 -7.312 1.00 0.00 H new ATOM 817 N SER A 53 1.225 0.106 -6.014 1.00 0.00 N ATOM 818 CA SER A 53 0.706 1.435 -6.315 1.00 0.00 C ATOM 819 C SER A 53 0.646 2.294 -5.056 1.00 0.00 C ATOM 820 O SER A 53 1.025 3.465 -5.072 1.00 0.00 O ATOM 821 CB SER A 53 -0.686 1.332 -6.942 1.00 0.00 C ATOM 822 OG SER A 53 -0.983 2.482 -7.716 1.00 0.00 O ATOM 0 H SER A 53 0.588 -0.657 -6.241 1.00 0.00 H new ATOM 0 HA SER A 53 1.383 1.909 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.740 0.443 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.434 1.214 -6.158 1.00 0.00 H new ATOM 0 HG SER A 53 -1.877 2.391 -8.107 1.00 0.00 H new ATOM 828 N TRP A 54 0.168 1.703 -3.967 1.00 0.00 N ATOM 829 CA TRP A 54 0.059 2.413 -2.698 1.00 0.00 C ATOM 830 C TRP A 54 1.373 3.099 -2.342 1.00 0.00 C ATOM 831 O TRP A 54 1.447 4.327 -2.278 1.00 0.00 O ATOM 832 CB TRP A 54 -0.345 1.447 -1.582 1.00 0.00 C ATOM 833 CG TRP A 54 -0.513 2.115 -0.251 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.649 2.692 0.239 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.489 2.274 0.760 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.415 3.201 1.493 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.111 2.957 1.836 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.832 1.905 0.862 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.588 3.278 2.997 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.525 2.225 2.014 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.902 2.905 3.069 1.00 0.00 C ATOM 0 H TRP A 54 -0.150 0.734 -3.937 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.711 3.177 -2.804 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.280 0.958 -1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.410 0.666 -1.496 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.593 2.741 -0.283 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.101 3.683 2.075 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.320 1.379 0.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.110 3.802 3.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.565 1.946 2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.471 3.139 3.957 1.00 0.00 H new ATOM 852 N PHE A 55 2.410 2.300 -2.113 1.00 0.00 N ATOM 853 CA PHE A 55 3.722 2.831 -1.763 1.00 0.00 C ATOM 854 C PHE A 55 4.095 4.000 -2.671 1.00 0.00 C ATOM 855 O PHE A 55 4.398 5.095 -2.198 1.00 0.00 O ATOM 856 CB PHE A 55 4.783 1.734 -1.863 1.00 0.00 C ATOM 857 CG PHE A 55 4.742 0.754 -0.726 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.166 1.124 0.540 1.00 0.00 C ATOM 859 CD2 PHE A 55 4.279 -0.537 -0.922 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.129 0.225 1.590 1.00 0.00 C ATOM 861 CE2 PHE A 55 4.240 -1.440 0.123 1.00 0.00 C ATOM 862 CZ PHE A 55 4.666 -1.059 1.381 1.00 0.00 C ATOM 0 H PHE A 55 2.367 1.282 -2.164 1.00 0.00 H new ATOM 0 HA PHE A 55 3.678 3.191 -0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.650 1.195 -2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.770 2.196 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.530 2.127 0.709 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.945 -0.841 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.462 0.527 2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.877 -2.443 -0.043 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.637 -1.764 2.199 1.00 0.00 H new ATOM 872 N SER A 56 4.072 3.757 -3.977 1.00 0.00 N ATOM 873 CA SER A 56 4.412 4.787 -4.952 1.00 0.00 C ATOM 874 C SER A 56 3.546 6.027 -4.756 1.00 0.00 C ATOM 875 O SER A 56 3.921 7.128 -5.158 1.00 0.00 O ATOM 876 CB SER A 56 4.239 4.250 -6.374 1.00 0.00 C ATOM 877 OG SER A 56 4.994 5.010 -7.302 1.00 0.00 O ATOM 0 H SER A 56 3.822 2.856 -4.385 1.00 0.00 H new ATOM 0 HA SER A 56 5.455 5.066 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.553 3.207 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.185 4.276 -6.650 1.00 0.00 H new ATOM 0 HG SER A 56 4.868 4.646 -8.203 1.00 0.00 H new ATOM 883 N GLU A 57 2.385 5.839 -4.136 1.00 0.00 N ATOM 884 CA GLU A 57 1.465 6.943 -3.888 1.00 0.00 C ATOM 885 C GLU A 57 1.618 7.469 -2.464 1.00 0.00 C ATOM 886 O GLU A 57 1.231 8.598 -2.163 1.00 0.00 O ATOM 887 CB GLU A 57 0.021 6.495 -4.126 1.00 0.00 C ATOM 888 CG GLU A 57 -0.436 6.652 -5.566 1.00 0.00 C ATOM 889 CD GLU A 57 -0.850 8.073 -5.895 1.00 0.00 C ATOM 890 OE1 GLU A 57 -1.947 8.487 -5.466 1.00 0.00 O ATOM 891 OE2 GLU A 57 -0.076 8.772 -6.583 1.00 0.00 O ATOM 0 H GLU A 57 2.060 4.934 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 57 1.707 7.748 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.079 5.450 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.640 7.071 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.370 6.348 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.274 5.981 -5.752 1.00 0.00 H new ATOM 898 N ARG A 58 2.184 6.641 -1.591 1.00 0.00 N ATOM 899 CA ARG A 58 2.387 7.021 -0.198 1.00 0.00 C ATOM 900 C ARG A 58 3.774 7.623 0.004 1.00 0.00 C ATOM 901 O ARG A 58 3.908 8.787 0.384 1.00 0.00 O ATOM 902 CB ARG A 58 2.208 5.807 0.715 1.00 0.00 C ATOM 903 CG ARG A 58 2.443 6.111 2.185 1.00 0.00 C ATOM 904 CD ARG A 58 1.389 7.060 2.734 1.00 0.00 C ATOM 905 NE ARG A 58 1.480 7.201 4.185 1.00 0.00 N ATOM 906 CZ ARG A 58 0.481 7.633 4.946 1.00 0.00 C ATOM 907 NH1 ARG A 58 -0.679 7.964 4.397 1.00 0.00 N ATOM 908 NH2 ARG A 58 0.641 7.733 6.259 1.00 0.00 N ATOM 0 H ARG A 58 2.510 5.703 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 58 1.642 7.774 0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.199 5.415 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.896 5.022 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.431 5.183 2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.432 6.551 2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.504 8.038 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.398 6.694 2.467 1.00 0.00 H new ATOM 0 HE ARG A 58 2.359 6.954 4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.806 7.887 3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.445 8.296 4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.532 7.478 6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.127 8.065 6.843 1.00 0.00 H new ATOM 922 N ARG A 59 4.804 6.823 -0.251 1.00 0.00 N ATOM 923 CA ARG A 59 6.181 7.276 -0.095 1.00 0.00 C ATOM 924 C ARG A 59 6.391 8.624 -0.778 1.00 0.00 C ATOM 925 O ARG A 59 7.254 9.407 -0.380 1.00 0.00 O ATOM 926 CB ARG A 59 7.149 6.242 -0.674 1.00 0.00 C ATOM 927 CG ARG A 59 7.271 6.303 -2.187 1.00 0.00 C ATOM 928 CD ARG A 59 8.256 5.268 -2.709 1.00 0.00 C ATOM 929 NE ARG A 59 9.637 5.736 -2.625 1.00 0.00 N ATOM 930 CZ ARG A 59 10.126 6.719 -3.372 1.00 0.00 C ATOM 931 NH1 ARG A 59 9.352 7.335 -4.254 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.394 7.088 -3.237 1.00 0.00 N ATOM 0 H ARG A 59 4.711 5.858 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 59 6.380 7.393 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.134 6.392 -0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.818 5.245 -0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.293 6.137 -2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.595 7.299 -2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.150 4.346 -2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.016 5.030 -3.745 1.00 0.00 H new ATOM 0 HE ARG A 59 10.260 5.283 -1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.377 7.054 -4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.731 8.090 -4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.993 6.616 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.769 7.843 -3.811 1.00 0.00 H new ATOM 946 N LYS A 60 5.596 8.888 -1.809 1.00 0.00 N ATOM 947 CA LYS A 60 5.692 10.141 -2.549 1.00 0.00 C ATOM 948 C LYS A 60 4.966 11.264 -1.814 1.00 0.00 C ATOM 949 O LYS A 60 5.343 12.431 -1.914 1.00 0.00 O ATOM 950 CB LYS A 60 5.108 9.975 -3.953 1.00 0.00 C ATOM 951 CG LYS A 60 3.594 9.854 -3.972 1.00 0.00 C ATOM 952 CD LYS A 60 3.020 10.248 -5.323 1.00 0.00 C ATOM 953 CE LYS A 60 2.698 11.734 -5.379 1.00 0.00 C ATOM 954 NZ LYS A 60 3.922 12.571 -5.246 1.00 0.00 N ATOM 0 H LYS A 60 4.877 8.250 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 60 6.746 10.406 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.404 10.828 -4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.541 9.088 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.307 8.829 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.168 10.489 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.733 9.999 -6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.116 9.671 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.202 11.963 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.998 11.984 -4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.705 13.550 -5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.248 12.554 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.669 12.194 -5.864 1.00 0.00 H new ATOM 968 N LYS A 61 3.922 10.903 -1.075 1.00 0.00 N ATOM 969 CA LYS A 61 3.144 11.878 -0.321 1.00 0.00 C ATOM 970 C LYS A 61 3.932 12.392 0.879 1.00 0.00 C ATOM 971 O LYS A 61 3.866 13.574 1.218 1.00 0.00 O ATOM 972 CB LYS A 61 1.826 11.257 0.148 1.00 0.00 C ATOM 973 CG LYS A 61 0.765 12.282 0.509 1.00 0.00 C ATOM 974 CD LYS A 61 -0.175 11.758 1.581 1.00 0.00 C ATOM 975 CE LYS A 61 -1.355 11.015 0.974 1.00 0.00 C ATOM 976 NZ LYS A 61 -2.271 10.480 2.018 1.00 0.00 N ATOM 0 H LYS A 61 3.595 9.941 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 61 2.928 12.720 -0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.440 10.608 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.020 10.626 1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.245 13.196 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.193 12.544 -0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.370 11.092 2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.539 12.589 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.907 11.686 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.989 10.194 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.062 9.981 1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.751 9.820 2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.641 11.265 2.591 1.00 0.00 H new