USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 374 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 15 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -6.4! C(o=-6.4!,f=-6.7!) USER MOD Single : A 23 GLN : amide:sc= -2.47 K(o=-2.5,f=-3.5) USER MOD Single : A 29 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.67) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.626) USER MOD Single : A 39 GLN : amide:sc= -0.116 K(o=-0.12,f=-3!) USER MOD Single : A 41 SER OG : rot 61:sc= 1.18 USER MOD Single : A 42 ASN : amide:sc= 0.766 K(o=0.77,f=-0.0097) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00344 USER MOD Single : A 56 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.5!) USER MOD Single : A 57 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0076) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.238 -2.400 -10.770 1.00 0.00 N ATOM 175 CA PHE A 14 -5.692 -3.093 -9.570 1.00 0.00 C ATOM 176 C PHE A 14 -6.833 -2.332 -8.902 1.00 0.00 C ATOM 177 O PHE A 14 -7.006 -1.131 -9.118 1.00 0.00 O ATOM 178 CB PHE A 14 -4.534 -3.265 -8.586 1.00 0.00 C ATOM 179 CG PHE A 14 -3.241 -3.657 -9.244 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.467 -2.712 -9.898 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.801 -4.970 -9.209 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.277 -3.069 -10.504 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.612 -5.333 -9.813 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.850 -4.382 -10.462 1.00 0.00 C ATOM 0 HA PHE A 14 -6.058 -4.076 -9.865 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.388 -2.331 -8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.802 -4.023 -7.850 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.797 -1.684 -9.935 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.394 -5.718 -8.704 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.682 -2.323 -11.009 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.279 -6.360 -9.777 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.078 -4.664 -10.936 1.00 0.00 H new ATOM 194 N THR A 15 -7.611 -3.038 -8.088 1.00 0.00 N ATOM 195 CA THR A 15 -8.737 -2.432 -7.389 1.00 0.00 C ATOM 196 C THR A 15 -8.428 -2.244 -5.908 1.00 0.00 C ATOM 197 O THR A 15 -7.589 -2.948 -5.345 1.00 0.00 O ATOM 198 CB THR A 15 -10.012 -3.284 -7.531 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.081 -2.696 -6.781 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.769 -4.706 -7.049 1.00 0.00 C ATOM 0 H THR A 15 -7.482 -4.031 -7.896 1.00 0.00 H new ATOM 0 HA THR A 15 -8.907 -1.458 -7.849 1.00 0.00 H new ATOM 0 HB THR A 15 -10.285 -3.317 -8.586 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.888 -3.243 -6.878 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.684 -5.289 -7.159 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.976 -5.161 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.474 -4.689 -6.000 1.00 0.00 H new ATOM 208 N ASP A 16 -9.109 -1.291 -5.282 1.00 0.00 N ATOM 209 CA ASP A 16 -8.909 -1.012 -3.865 1.00 0.00 C ATOM 210 C ASP A 16 -8.623 -2.296 -3.093 1.00 0.00 C ATOM 211 O ASP A 16 -7.723 -2.341 -2.255 1.00 0.00 O ATOM 212 CB ASP A 16 -10.138 -0.314 -3.281 1.00 0.00 C ATOM 213 CG ASP A 16 -10.172 1.166 -3.605 1.00 0.00 C ATOM 214 OD1 ASP A 16 -9.536 1.950 -2.870 1.00 0.00 O ATOM 215 OD2 ASP A 16 -10.834 1.542 -4.595 1.00 0.00 O ATOM 0 H ASP A 16 -9.805 -0.698 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.047 -0.352 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.040 -0.788 -3.668 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.147 -0.446 -2.199 1.00 0.00 H new ATOM 220 N TYR A 17 -9.395 -3.338 -3.382 1.00 0.00 N ATOM 221 CA TYR A 17 -9.227 -4.622 -2.713 1.00 0.00 C ATOM 222 C TYR A 17 -7.795 -5.128 -2.855 1.00 0.00 C ATOM 223 O TYR A 17 -7.176 -5.551 -1.879 1.00 0.00 O ATOM 224 CB TYR A 17 -10.202 -5.651 -3.287 1.00 0.00 C ATOM 225 CG TYR A 17 -9.707 -7.076 -3.187 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.199 -7.573 -1.993 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.747 -7.925 -4.286 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.745 -8.875 -1.897 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.296 -9.228 -4.198 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.796 -9.698 -3.002 1.00 0.00 C ATOM 231 OH TYR A 17 -8.344 -10.995 -2.911 1.00 0.00 O ATOM 0 H TYR A 17 -10.143 -3.318 -4.075 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.440 -4.481 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.154 -5.568 -2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.393 -5.414 -4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.158 -6.931 -1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.137 -7.560 -5.225 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.352 -9.246 -0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.335 -9.875 -5.062 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.451 -11.440 -3.778 1.00 0.00 H new ATOM 241 N GLN A 18 -7.276 -5.079 -4.077 1.00 0.00 N ATOM 242 CA GLN A 18 -5.916 -5.531 -4.348 1.00 0.00 C ATOM 243 C GLN A 18 -4.895 -4.511 -3.856 1.00 0.00 C ATOM 244 O GLN A 18 -3.951 -4.856 -3.144 1.00 0.00 O ATOM 245 CB GLN A 18 -5.727 -5.779 -5.846 1.00 0.00 C ATOM 246 CG GLN A 18 -6.711 -6.782 -6.425 1.00 0.00 C ATOM 247 CD GLN A 18 -6.137 -7.550 -7.600 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.548 -6.967 -8.510 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.307 -8.867 -7.585 1.00 0.00 N ATOM 0 H GLN A 18 -7.776 -4.731 -4.895 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.757 -6.465 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.829 -4.833 -6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.712 -6.135 -6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.008 -7.485 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.613 -6.259 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.802 -9.309 -6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.943 -9.437 -8.348 1.00 0.00 H new ATOM 258 N LEU A 19 -5.089 -3.255 -4.240 1.00 0.00 N ATOM 259 CA LEU A 19 -4.184 -2.183 -3.839 1.00 0.00 C ATOM 260 C LEU A 19 -4.022 -2.147 -2.322 1.00 0.00 C ATOM 261 O LEU A 19 -2.976 -1.750 -1.809 1.00 0.00 O ATOM 262 CB LEU A 19 -4.704 -0.835 -4.340 1.00 0.00 C ATOM 263 CG LEU A 19 -4.501 -0.549 -5.829 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.131 0.782 -6.207 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.020 -0.558 -6.177 1.00 0.00 C ATOM 0 H LEU A 19 -5.865 -2.953 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.209 -2.377 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.770 -0.775 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.216 -0.045 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.993 -1.336 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.977 0.969 -7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.200 0.752 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.669 1.581 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.895 -0.353 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.505 0.208 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.597 -1.535 -5.944 1.00 0.00 H new ATOM 277 N ARG A 20 -5.064 -2.565 -1.611 1.00 0.00 N ATOM 278 CA ARG A 20 -5.038 -2.581 -0.154 1.00 0.00 C ATOM 279 C ARG A 20 -3.994 -3.567 0.360 1.00 0.00 C ATOM 280 O ARG A 20 -3.169 -3.229 1.209 1.00 0.00 O ATOM 281 CB ARG A 20 -6.416 -2.947 0.399 1.00 0.00 C ATOM 282 CG ARG A 20 -6.567 -2.679 1.888 1.00 0.00 C ATOM 283 CD ARG A 20 -5.894 -3.761 2.718 1.00 0.00 C ATOM 284 NE ARG A 20 -6.421 -3.813 4.079 1.00 0.00 N ATOM 285 CZ ARG A 20 -6.169 -2.891 5.001 1.00 0.00 C ATOM 286 NH1 ARG A 20 -5.402 -1.850 4.709 1.00 0.00 N ATOM 287 NH2 ARG A 20 -6.686 -3.008 6.218 1.00 0.00 N ATOM 0 H ARG A 20 -5.937 -2.897 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.770 -1.582 0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.176 -2.383 -0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.606 -4.003 0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.132 -1.709 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.625 -2.627 2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.037 -4.729 2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.820 -3.577 2.752 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.016 -4.601 4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.004 -1.756 3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.210 -1.143 5.419 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.278 -3.807 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.491 -2.299 6.925 1.00 0.00 H new ATOM 301 N VAL A 21 -4.036 -4.790 -0.160 1.00 0.00 N ATOM 302 CA VAL A 21 -3.094 -5.826 0.246 1.00 0.00 C ATOM 303 C VAL A 21 -1.692 -5.528 -0.274 1.00 0.00 C ATOM 304 O VAL A 21 -0.703 -5.703 0.440 1.00 0.00 O ATOM 305 CB VAL A 21 -3.533 -7.213 -0.261 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.525 -8.275 0.150 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.921 -7.555 0.260 1.00 0.00 C ATOM 0 H VAL A 21 -4.712 -5.087 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.081 -5.833 1.336 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.574 -7.187 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.852 -9.248 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.550 -8.035 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.449 -8.304 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.216 -8.538 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.909 -7.564 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.635 -6.808 -0.089 1.00 0.00 H new ATOM 317 N LEU A 22 -1.613 -5.077 -1.521 1.00 0.00 N ATOM 318 CA LEU A 22 -0.331 -4.753 -2.138 1.00 0.00 C ATOM 319 C LEU A 22 0.345 -3.595 -1.411 1.00 0.00 C ATOM 320 O LEU A 22 1.528 -3.665 -1.078 1.00 0.00 O ATOM 321 CB LEU A 22 -0.527 -4.400 -3.613 1.00 0.00 C ATOM 322 CG LEU A 22 -1.035 -5.529 -4.511 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.493 -4.978 -5.853 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.045 -6.583 -4.706 1.00 0.00 C ATOM 0 H LEU A 22 -2.421 -4.927 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 22 0.312 -5.630 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.229 -3.568 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.424 -4.046 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.889 -5.999 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.851 -5.795 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.299 -4.261 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.657 -4.482 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.334 -7.378 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.919 -6.127 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.325 -7.000 -3.739 1.00 0.00 H new ATOM 336 N GLN A 23 -0.414 -2.532 -1.168 1.00 0.00 N ATOM 337 CA GLN A 23 0.112 -1.359 -0.479 1.00 0.00 C ATOM 338 C GLN A 23 0.387 -1.668 0.989 1.00 0.00 C ATOM 339 O GLN A 23 1.365 -1.186 1.562 1.00 0.00 O ATOM 340 CB GLN A 23 -0.869 -0.192 -0.592 1.00 0.00 C ATOM 341 CG GLN A 23 -0.216 1.171 -0.424 1.00 0.00 C ATOM 342 CD GLN A 23 0.955 1.377 -1.364 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.779 1.767 -2.518 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.161 1.115 -0.873 1.00 0.00 N ATOM 0 H GLN A 23 -1.395 -2.458 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 23 1.052 -1.081 -0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.359 -0.233 -1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.647 -0.308 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.959 1.949 -0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.125 1.282 0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.261 0.794 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.987 1.235 -1.459 1.00 0.00 H new ATOM 353 N ASP A 24 -0.482 -2.472 1.592 1.00 0.00 N ATOM 354 CA ASP A 24 -0.333 -2.845 2.994 1.00 0.00 C ATOM 355 C ASP A 24 0.929 -3.676 3.203 1.00 0.00 C ATOM 356 O ASP A 24 1.637 -3.510 4.197 1.00 0.00 O ATOM 357 CB ASP A 24 -1.558 -3.627 3.468 1.00 0.00 C ATOM 358 CG ASP A 24 -1.444 -4.058 4.917 1.00 0.00 C ATOM 359 OD1 ASP A 24 -1.301 -3.176 5.790 1.00 0.00 O ATOM 360 OD2 ASP A 24 -1.499 -5.278 5.179 1.00 0.00 O ATOM 0 H ASP A 24 -1.297 -2.878 1.132 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.246 -1.931 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.449 -3.011 3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.689 -4.508 2.839 1.00 0.00 H new ATOM 365 N PHE A 25 1.205 -4.572 2.261 1.00 0.00 N ATOM 366 CA PHE A 25 2.380 -5.431 2.344 1.00 0.00 C ATOM 367 C PHE A 25 3.658 -4.628 2.117 1.00 0.00 C ATOM 368 O PHE A 25 4.723 -4.978 2.625 1.00 0.00 O ATOM 369 CB PHE A 25 2.286 -6.561 1.316 1.00 0.00 C ATOM 370 CG PHE A 25 3.267 -7.672 1.555 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.625 -7.468 1.371 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.831 -8.922 1.965 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.530 -8.489 1.590 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.732 -9.947 2.186 1.00 0.00 C ATOM 375 CZ PHE A 25 5.083 -9.730 1.998 1.00 0.00 C ATOM 0 H PHE A 25 0.631 -4.722 1.431 1.00 0.00 H new ATOM 0 HA PHE A 25 2.414 -5.861 3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.276 -6.970 1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.451 -6.150 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.981 -6.499 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.776 -9.097 2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.586 -8.316 1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.380 -10.917 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.788 -10.530 2.170 1.00 0.00 H new ATOM 385 N PHE A 26 3.543 -3.549 1.350 1.00 0.00 N ATOM 386 CA PHE A 26 4.688 -2.696 1.054 1.00 0.00 C ATOM 387 C PHE A 26 5.059 -1.844 2.264 1.00 0.00 C ATOM 388 O PHE A 26 6.227 -1.759 2.643 1.00 0.00 O ATOM 389 CB PHE A 26 4.384 -1.795 -0.144 1.00 0.00 C ATOM 390 CG PHE A 26 5.497 -0.843 -0.477 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.714 0.287 0.294 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.327 -1.080 -1.561 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.737 1.165 -0.011 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.353 -0.206 -1.870 1.00 0.00 C ATOM 395 CZ PHE A 26 7.558 0.917 -1.093 1.00 0.00 C ATOM 0 H PHE A 26 2.669 -3.245 0.922 1.00 0.00 H new ATOM 0 HA PHE A 26 5.534 -3.339 0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.178 -2.418 -1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.478 -1.225 0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.077 0.484 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.171 -1.957 -2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.894 2.044 0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.993 -0.401 -2.718 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.360 1.600 -1.331 1.00 0.00 H new ATOM 405 N ASP A 27 4.056 -1.214 2.866 1.00 0.00 N ATOM 406 CA ASP A 27 4.275 -0.368 4.034 1.00 0.00 C ATOM 407 C ASP A 27 5.015 -1.133 5.127 1.00 0.00 C ATOM 408 O ASP A 27 5.761 -0.547 5.911 1.00 0.00 O ATOM 409 CB ASP A 27 2.941 0.151 4.572 1.00 0.00 C ATOM 410 CG ASP A 27 3.112 1.344 5.491 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.969 1.277 6.396 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.388 2.345 5.306 1.00 0.00 O ATOM 0 H ASP A 27 3.083 -1.273 2.565 1.00 0.00 H new ATOM 0 HA ASP A 27 4.889 0.479 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.299 0.429 3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.434 -0.649 5.111 1.00 0.00 H new ATOM 417 N ALA A 28 4.802 -2.444 5.174 1.00 0.00 N ATOM 418 CA ALA A 28 5.450 -3.288 6.170 1.00 0.00 C ATOM 419 C ALA A 28 6.722 -3.917 5.613 1.00 0.00 C ATOM 420 O ALA A 28 7.738 -3.998 6.302 1.00 0.00 O ATOM 421 CB ALA A 28 4.491 -4.368 6.649 1.00 0.00 C ATOM 0 H ALA A 28 4.186 -2.944 4.534 1.00 0.00 H new ATOM 0 HA ALA A 28 5.728 -2.661 7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.987 -4.992 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.612 -3.902 7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.186 -4.985 5.804 1.00 0.00 H new ATOM 427 N ASN A 29 6.659 -4.362 4.362 1.00 0.00 N ATOM 428 CA ASN A 29 7.807 -4.985 3.713 1.00 0.00 C ATOM 429 C ASN A 29 7.820 -4.678 2.219 1.00 0.00 C ATOM 430 O ASN A 29 6.846 -4.938 1.513 1.00 0.00 O ATOM 431 CB ASN A 29 7.784 -6.499 3.935 1.00 0.00 C ATOM 432 CG ASN A 29 9.083 -7.163 3.519 1.00 0.00 C ATOM 433 OD1 ASN A 29 10.169 -6.658 3.802 1.00 0.00 O ATOM 434 ND2 ASN A 29 8.975 -8.301 2.844 1.00 0.00 N ATOM 0 H ASN A 29 5.825 -4.303 3.778 1.00 0.00 H new ATOM 0 HA ASN A 29 8.713 -4.573 4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.594 -6.706 4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.959 -6.934 3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.814 -8.794 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.053 -8.683 2.632 1.00 0.00 H new ATOM 441 N ALA A 30 8.930 -4.124 1.744 1.00 0.00 N ATOM 442 CA ALA A 30 9.072 -3.785 0.333 1.00 0.00 C ATOM 443 C ALA A 30 10.248 -4.525 -0.294 1.00 0.00 C ATOM 444 O ALA A 30 10.650 -4.230 -1.420 1.00 0.00 O ATOM 445 CB ALA A 30 9.242 -2.282 0.167 1.00 0.00 C ATOM 0 H ALA A 30 9.745 -3.900 2.315 1.00 0.00 H new ATOM 0 HA ALA A 30 8.164 -4.097 -0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.347 -2.042 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.368 -1.770 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.133 -1.955 0.703 1.00 0.00 H new ATOM 451 N TYR A 31 10.796 -5.486 0.441 1.00 0.00 N ATOM 452 CA TYR A 31 11.929 -6.266 -0.043 1.00 0.00 C ATOM 453 C TYR A 31 11.719 -7.753 0.222 1.00 0.00 C ATOM 454 O TYR A 31 12.632 -8.473 0.629 1.00 0.00 O ATOM 455 CB TYR A 31 13.222 -5.795 0.624 1.00 0.00 C ATOM 456 CG TYR A 31 13.287 -4.298 0.830 1.00 0.00 C ATOM 457 CD1 TYR A 31 13.175 -3.424 -0.245 1.00 0.00 C ATOM 458 CD2 TYR A 31 13.460 -3.758 2.098 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.234 -2.056 -0.062 1.00 0.00 C ATOM 460 CE2 TYR A 31 13.519 -2.391 2.291 1.00 0.00 C ATOM 461 CZ TYR A 31 13.406 -1.545 1.208 1.00 0.00 C ATOM 462 OH TYR A 31 13.465 -0.183 1.395 1.00 0.00 O ATOM 0 H TYR A 31 10.474 -5.744 1.374 1.00 0.00 H new ATOM 0 HA TYR A 31 12.008 -6.115 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.324 -6.291 1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.070 -6.106 0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.040 -3.821 -1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.550 -4.418 2.948 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.146 -1.390 -0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.653 -1.988 3.284 1.00 0.00 H new ATOM 0 HH TYR A 31 13.588 0.011 2.348 1.00 0.00 H new ATOM 472 N PRO A 32 10.487 -8.227 -0.013 1.00 0.00 N ATOM 473 CA PRO A 32 10.127 -9.633 0.192 1.00 0.00 C ATOM 474 C PRO A 32 10.783 -10.555 -0.830 1.00 0.00 C ATOM 475 O PRO A 32 11.242 -10.107 -1.881 1.00 0.00 O ATOM 476 CB PRO A 32 8.606 -9.639 0.019 1.00 0.00 C ATOM 477 CG PRO A 32 8.319 -8.464 -0.851 1.00 0.00 C ATOM 478 CD PRO A 32 9.350 -7.427 -0.499 1.00 0.00 C ATOM 0 HA PRO A 32 10.461 -10.001 1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.264 -10.566 -0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.098 -9.554 0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.381 -8.734 -1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.311 -8.087 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.624 -6.823 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.985 -6.741 0.266 1.00 0.00 H new ATOM 486 N LYS A 33 10.824 -11.846 -0.516 1.00 0.00 N ATOM 487 CA LYS A 33 11.422 -12.832 -1.407 1.00 0.00 C ATOM 488 C LYS A 33 10.349 -13.570 -2.201 1.00 0.00 C ATOM 489 O LYS A 33 9.158 -13.451 -1.912 1.00 0.00 O ATOM 490 CB LYS A 33 12.258 -13.833 -0.606 1.00 0.00 C ATOM 491 CG LYS A 33 13.371 -13.187 0.201 1.00 0.00 C ATOM 492 CD LYS A 33 14.493 -14.170 0.490 1.00 0.00 C ATOM 493 CE LYS A 33 14.226 -14.963 1.761 1.00 0.00 C ATOM 494 NZ LYS A 33 13.274 -16.084 1.525 1.00 0.00 N ATOM 0 H LYS A 33 10.449 -12.233 0.350 1.00 0.00 H new ATOM 0 HA LYS A 33 12.070 -12.306 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.603 -14.383 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.693 -14.561 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.768 -12.331 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.968 -12.807 1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.604 -14.855 -0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.435 -13.630 0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.166 -15.359 2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.823 -14.299 2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.441 -16.834 2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.298 -15.736 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.418 -16.466 0.568 1.00 0.00 H new ATOM 508 N ASP A 34 10.778 -14.333 -3.200 1.00 0.00 N ATOM 509 CA ASP A 34 9.853 -15.093 -4.034 1.00 0.00 C ATOM 510 C ASP A 34 8.774 -15.756 -3.183 1.00 0.00 C ATOM 511 O ASP A 34 7.581 -15.588 -3.435 1.00 0.00 O ATOM 512 CB ASP A 34 10.610 -16.153 -4.836 1.00 0.00 C ATOM 513 CG ASP A 34 9.679 -17.087 -5.583 1.00 0.00 C ATOM 514 OD1 ASP A 34 9.335 -16.780 -6.744 1.00 0.00 O ATOM 515 OD2 ASP A 34 9.294 -18.126 -5.008 1.00 0.00 O ATOM 0 H ASP A 34 11.760 -14.442 -3.452 1.00 0.00 H new ATOM 0 HA ASP A 34 9.372 -14.401 -4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.274 -15.661 -5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.239 -16.734 -4.162 1.00 0.00 H new ATOM 520 N ASP A 35 9.202 -16.510 -2.177 1.00 0.00 N ATOM 521 CA ASP A 35 8.272 -17.198 -1.289 1.00 0.00 C ATOM 522 C ASP A 35 7.173 -16.253 -0.814 1.00 0.00 C ATOM 523 O ASP A 35 5.989 -16.584 -0.873 1.00 0.00 O ATOM 524 CB ASP A 35 9.017 -17.778 -0.085 1.00 0.00 C ATOM 525 CG ASP A 35 8.346 -19.020 0.468 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.530 -20.106 -0.120 1.00 0.00 O ATOM 527 OD2 ASP A 35 7.637 -18.905 1.489 1.00 0.00 O ATOM 0 H ASP A 35 10.186 -16.660 -1.956 1.00 0.00 H new ATOM 0 HA ASP A 35 7.810 -18.012 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.039 -18.020 -0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.079 -17.023 0.698 1.00 0.00 H new ATOM 532 N GLU A 36 7.573 -15.076 -0.344 1.00 0.00 N ATOM 533 CA GLU A 36 6.621 -14.084 0.142 1.00 0.00 C ATOM 534 C GLU A 36 5.718 -13.598 -0.987 1.00 0.00 C ATOM 535 O GLU A 36 4.493 -13.614 -0.868 1.00 0.00 O ATOM 536 CB GLU A 36 7.360 -12.898 0.766 1.00 0.00 C ATOM 537 CG GLU A 36 8.162 -13.263 2.004 1.00 0.00 C ATOM 538 CD GLU A 36 7.290 -13.781 3.132 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.119 -13.356 3.218 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.779 -14.610 3.928 1.00 0.00 O ATOM 0 H GLU A 36 8.549 -14.786 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 36 6.000 -14.556 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.031 -12.467 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.636 -12.126 1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.901 -14.021 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.712 -12.387 2.348 1.00 0.00 H new ATOM 547 N PHE A 37 6.332 -13.164 -2.083 1.00 0.00 N ATOM 548 CA PHE A 37 5.585 -12.671 -3.234 1.00 0.00 C ATOM 549 C PHE A 37 4.450 -13.625 -3.595 1.00 0.00 C ATOM 550 O PHE A 37 3.362 -13.195 -3.977 1.00 0.00 O ATOM 551 CB PHE A 37 6.516 -12.492 -4.435 1.00 0.00 C ATOM 552 CG PHE A 37 7.130 -11.123 -4.518 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.473 -10.094 -5.174 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.362 -10.866 -3.940 1.00 0.00 C ATOM 555 CE1 PHE A 37 7.036 -8.834 -5.253 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.930 -9.608 -4.016 1.00 0.00 C ATOM 557 CZ PHE A 37 8.265 -8.591 -4.672 1.00 0.00 C ATOM 0 H PHE A 37 7.345 -13.144 -2.198 1.00 0.00 H new ATOM 0 HA PHE A 37 5.155 -11.705 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.311 -13.236 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.957 -12.687 -5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.511 -10.279 -5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.885 -11.658 -3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.515 -8.041 -5.768 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.892 -9.421 -3.563 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.706 -7.607 -4.731 1.00 0.00 H new ATOM 567 N GLU A 38 4.713 -14.922 -3.471 1.00 0.00 N ATOM 568 CA GLU A 38 3.714 -15.937 -3.785 1.00 0.00 C ATOM 569 C GLU A 38 2.467 -15.758 -2.923 1.00 0.00 C ATOM 570 O GLU A 38 1.344 -15.915 -3.400 1.00 0.00 O ATOM 571 CB GLU A 38 4.294 -17.337 -3.577 1.00 0.00 C ATOM 572 CG GLU A 38 5.102 -17.843 -4.761 1.00 0.00 C ATOM 573 CD GLU A 38 4.238 -18.512 -5.813 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.414 -19.374 -5.445 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.387 -18.171 -7.005 1.00 0.00 O ATOM 0 H GLU A 38 5.609 -15.295 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 38 3.432 -15.820 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.929 -17.330 -2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.479 -18.033 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.638 -17.009 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.852 -18.551 -4.408 1.00 0.00 H new ATOM 582 N GLN A 39 2.675 -15.431 -1.652 1.00 0.00 N ATOM 583 CA GLN A 39 1.569 -15.232 -0.724 1.00 0.00 C ATOM 584 C GLN A 39 0.565 -14.228 -1.280 1.00 0.00 C ATOM 585 O GLN A 39 -0.647 -14.428 -1.184 1.00 0.00 O ATOM 586 CB GLN A 39 2.092 -14.752 0.631 1.00 0.00 C ATOM 587 CG GLN A 39 3.101 -15.696 1.263 1.00 0.00 C ATOM 588 CD GLN A 39 2.445 -16.879 1.947 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.337 -17.280 1.591 1.00 0.00 O ATOM 590 NE2 GLN A 39 3.128 -17.446 2.935 1.00 0.00 N ATOM 0 H GLN A 39 3.599 -15.298 -1.242 1.00 0.00 H new ATOM 0 HA GLN A 39 1.063 -16.188 -0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.552 -13.772 0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.250 -14.625 1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.784 -16.058 0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.700 -15.148 1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.044 -17.081 3.197 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.737 -18.247 3.431 1.00 0.00 H new ATOM 599 N LEU A 40 1.076 -13.148 -1.861 1.00 0.00 N ATOM 600 CA LEU A 40 0.224 -12.111 -2.433 1.00 0.00 C ATOM 601 C LEU A 40 -0.392 -12.577 -3.748 1.00 0.00 C ATOM 602 O LEU A 40 -1.556 -12.297 -4.033 1.00 0.00 O ATOM 603 CB LEU A 40 1.028 -10.830 -2.658 1.00 0.00 C ATOM 604 CG LEU A 40 1.594 -10.163 -1.404 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.864 -9.395 -1.734 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.558 -9.240 -0.778 1.00 0.00 C ATOM 0 H LEU A 40 2.076 -12.968 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.582 -11.907 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.856 -11.058 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.390 -10.110 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 40 1.842 -10.941 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.252 -8.927 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.610 -10.081 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.642 -8.626 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.978 -8.774 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.279 -8.467 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.325 -9.817 -0.504 1.00 0.00 H new ATOM 618 N SER A 41 0.397 -13.290 -4.545 1.00 0.00 N ATOM 619 CA SER A 41 -0.070 -13.794 -5.832 1.00 0.00 C ATOM 620 C SER A 41 -1.179 -14.824 -5.641 1.00 0.00 C ATOM 621 O SER A 41 -2.097 -14.921 -6.455 1.00 0.00 O ATOM 622 CB SER A 41 1.090 -14.415 -6.612 1.00 0.00 C ATOM 623 OG SER A 41 0.616 -15.306 -7.607 1.00 0.00 O ATOM 0 H SER A 41 1.363 -13.532 -4.323 1.00 0.00 H new ATOM 0 HA SER A 41 -0.471 -12.954 -6.400 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.683 -13.627 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.749 -14.948 -5.927 1.00 0.00 H new ATOM 0 HG SER A 41 0.050 -14.818 -8.241 1.00 0.00 H new ATOM 629 N ASN A 42 -1.087 -15.591 -4.560 1.00 0.00 N ATOM 630 CA ASN A 42 -2.081 -16.615 -4.262 1.00 0.00 C ATOM 631 C ASN A 42 -3.357 -15.989 -3.706 1.00 0.00 C ATOM 632 O ASN A 42 -4.461 -16.472 -3.960 1.00 0.00 O ATOM 633 CB ASN A 42 -1.519 -17.626 -3.261 1.00 0.00 C ATOM 634 CG ASN A 42 -0.675 -18.693 -3.930 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.201 -19.627 -4.536 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.642 -18.559 -3.823 1.00 0.00 N ATOM 0 H ASN A 42 -0.334 -15.523 -3.876 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.324 -17.130 -5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.916 -17.102 -2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.342 -18.100 -2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.261 -19.246 -4.253 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.034 -17.769 -3.311 1.00 0.00 H new ATOM 643 N LEU A 43 -3.198 -14.910 -2.948 1.00 0.00 N ATOM 644 CA LEU A 43 -4.337 -14.216 -2.356 1.00 0.00 C ATOM 645 C LEU A 43 -5.066 -13.377 -3.401 1.00 0.00 C ATOM 646 O LEU A 43 -6.259 -13.566 -3.642 1.00 0.00 O ATOM 647 CB LEU A 43 -3.873 -13.324 -1.203 1.00 0.00 C ATOM 648 CG LEU A 43 -4.863 -12.255 -0.741 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.136 -12.898 -0.213 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.232 -11.367 0.322 1.00 0.00 C ATOM 0 H LEU A 43 -2.292 -14.496 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.028 -14.966 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.633 -13.961 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.949 -12.830 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.123 -11.634 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.829 -12.121 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.599 -13.490 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.894 -13.544 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.951 -10.612 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.943 -11.975 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.350 -10.877 -0.090 1.00 0.00 H new ATOM 662 N LEU A 44 -4.341 -12.451 -4.020 1.00 0.00 N ATOM 663 CA LEU A 44 -4.918 -11.584 -5.041 1.00 0.00 C ATOM 664 C LEU A 44 -5.086 -12.333 -6.359 1.00 0.00 C ATOM 665 O LEU A 44 -5.728 -11.841 -7.286 1.00 0.00 O ATOM 666 CB LEU A 44 -4.036 -10.352 -5.250 1.00 0.00 C ATOM 667 CG LEU A 44 -3.739 -9.520 -4.003 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.651 -8.497 -4.290 1.00 0.00 C ATOM 669 CD2 LEU A 44 -5.003 -8.831 -3.508 1.00 0.00 C ATOM 0 H LEU A 44 -3.353 -12.282 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.902 -11.264 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.088 -10.677 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.516 -9.707 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.383 -10.189 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.453 -7.914 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.740 -9.011 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.979 -7.832 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.773 -8.243 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.389 -8.174 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.754 -9.582 -3.262 1.00 0.00 H new ATOM 681 N ASN A 45 -4.506 -13.527 -6.434 1.00 0.00 N ATOM 682 CA ASN A 45 -4.593 -14.345 -7.638 1.00 0.00 C ATOM 683 C ASN A 45 -3.920 -13.650 -8.818 1.00 0.00 C ATOM 684 O ASN A 45 -4.355 -13.783 -9.962 1.00 0.00 O ATOM 685 CB ASN A 45 -6.056 -14.641 -7.974 1.00 0.00 C ATOM 686 CG ASN A 45 -6.554 -15.914 -7.317 1.00 0.00 C ATOM 687 OD1 ASN A 45 -6.062 -17.006 -7.602 1.00 0.00 O ATOM 688 ND2 ASN A 45 -7.534 -15.778 -6.432 1.00 0.00 N ATOM 0 H ASN A 45 -3.971 -13.949 -5.675 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.073 -15.284 -7.447 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.676 -13.804 -7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.168 -14.726 -9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.910 -16.599 -5.957 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.911 -14.853 -6.227 1.00 0.00 H new ATOM 695 N LEU A 46 -2.856 -12.908 -8.531 1.00 0.00 N ATOM 696 CA LEU A 46 -2.121 -12.192 -9.568 1.00 0.00 C ATOM 697 C LEU A 46 -0.707 -12.745 -9.715 1.00 0.00 C ATOM 698 O LEU A 46 -0.121 -13.276 -8.771 1.00 0.00 O ATOM 699 CB LEU A 46 -2.065 -10.698 -9.242 1.00 0.00 C ATOM 700 CG LEU A 46 -3.413 -9.995 -9.080 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.221 -8.595 -8.517 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.148 -9.940 -10.412 1.00 0.00 C ATOM 0 H LEU A 46 -2.483 -12.786 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.646 -12.332 -10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.498 -10.569 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.508 -10.195 -10.032 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.018 -10.567 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.191 -8.110 -8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.736 -8.658 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.598 -8.012 -9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.105 -9.436 -10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.547 -9.391 -11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.319 -10.953 -10.776 1.00 0.00 H new ATOM 714 N PRO A 47 -0.144 -12.618 -10.925 1.00 0.00 N ATOM 715 CA PRO A 47 1.209 -13.097 -11.224 1.00 0.00 C ATOM 716 C PRO A 47 2.284 -12.269 -10.528 1.00 0.00 C ATOM 717 O PRO A 47 2.291 -11.040 -10.618 1.00 0.00 O ATOM 718 CB PRO A 47 1.313 -12.942 -12.743 1.00 0.00 C ATOM 719 CG PRO A 47 0.344 -11.862 -13.081 1.00 0.00 C ATOM 720 CD PRO A 47 -0.785 -11.996 -12.096 1.00 0.00 C ATOM 0 HA PRO A 47 1.367 -14.117 -10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.325 -12.674 -13.045 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.063 -13.872 -13.254 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.812 -10.880 -13.007 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.016 -11.967 -14.104 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.220 -11.027 -11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.590 -12.616 -12.490 1.00 0.00 H new ATOM 728 N THR A 48 3.192 -12.948 -9.834 1.00 0.00 N ATOM 729 CA THR A 48 4.271 -12.275 -9.123 1.00 0.00 C ATOM 730 C THR A 48 4.893 -11.178 -9.979 1.00 0.00 C ATOM 731 O THR A 48 5.189 -10.088 -9.488 1.00 0.00 O ATOM 732 CB THR A 48 5.371 -13.267 -8.701 1.00 0.00 C ATOM 733 OG1 THR A 48 5.514 -14.290 -9.693 1.00 0.00 O ATOM 734 CG2 THR A 48 5.043 -13.900 -7.357 1.00 0.00 C ATOM 0 H THR A 48 3.201 -13.964 -9.749 1.00 0.00 H new ATOM 0 HA THR A 48 3.832 -11.830 -8.230 1.00 0.00 H new ATOM 0 HB THR A 48 6.308 -12.718 -8.607 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.216 -14.916 -9.419 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.834 -14.597 -7.080 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.963 -13.122 -6.598 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.096 -14.436 -7.428 1.00 0.00 H new ATOM 742 N ARG A 49 5.087 -11.472 -11.260 1.00 0.00 N ATOM 743 CA ARG A 49 5.675 -10.509 -12.184 1.00 0.00 C ATOM 744 C ARG A 49 4.959 -9.165 -12.096 1.00 0.00 C ATOM 745 O ARG A 49 5.585 -8.109 -12.196 1.00 0.00 O ATOM 746 CB ARG A 49 5.610 -11.041 -13.617 1.00 0.00 C ATOM 747 CG ARG A 49 4.243 -10.885 -14.263 1.00 0.00 C ATOM 748 CD ARG A 49 4.110 -9.544 -14.968 1.00 0.00 C ATOM 749 NE ARG A 49 2.944 -9.502 -15.846 1.00 0.00 N ATOM 750 CZ ARG A 49 2.840 -8.687 -16.890 1.00 0.00 C ATOM 751 NH1 ARG A 49 3.827 -7.853 -17.185 1.00 0.00 N ATOM 752 NH2 ARG A 49 1.747 -8.707 -17.643 1.00 0.00 N ATOM 0 H ARG A 49 4.846 -12.369 -11.682 1.00 0.00 H new ATOM 0 HA ARG A 49 6.718 -10.364 -11.904 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.351 -10.519 -14.223 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.884 -12.096 -13.617 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.084 -11.691 -14.979 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.467 -10.976 -13.503 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.034 -8.750 -14.225 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.010 -9.350 -15.551 1.00 0.00 H new ATOM 0 HE ARG A 49 2.167 -10.133 -15.647 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.669 -7.836 -16.610 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.744 -7.228 -17.987 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.986 -9.349 -17.420 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.668 -8.081 -18.444 1.00 0.00 H new ATOM 766 N VAL A 50 3.644 -9.211 -11.910 1.00 0.00 N ATOM 767 CA VAL A 50 2.843 -7.997 -11.808 1.00 0.00 C ATOM 768 C VAL A 50 3.059 -7.307 -10.466 1.00 0.00 C ATOM 769 O VAL A 50 3.118 -6.079 -10.390 1.00 0.00 O ATOM 770 CB VAL A 50 1.343 -8.298 -11.982 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.501 -7.156 -11.434 1.00 0.00 C ATOM 772 CG2 VAL A 50 1.018 -8.556 -13.446 1.00 0.00 C ATOM 0 H VAL A 50 3.110 -10.076 -11.827 1.00 0.00 H new ATOM 0 HA VAL A 50 3.169 -7.335 -12.610 1.00 0.00 H new ATOM 0 HB VAL A 50 1.103 -9.198 -11.416 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.556 -7.387 -11.566 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.714 -7.024 -10.373 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.741 -6.237 -11.969 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.046 -8.767 -13.551 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.273 -7.676 -14.036 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.594 -9.410 -13.801 1.00 0.00 H new ATOM 782 N ILE A 51 3.177 -8.104 -9.409 1.00 0.00 N ATOM 783 CA ILE A 51 3.388 -7.569 -8.070 1.00 0.00 C ATOM 784 C ILE A 51 4.795 -6.999 -7.921 1.00 0.00 C ATOM 785 O ILE A 51 5.014 -6.046 -7.174 1.00 0.00 O ATOM 786 CB ILE A 51 3.166 -8.647 -6.992 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.849 -9.385 -7.241 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.175 -8.020 -5.606 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.700 -10.648 -6.422 1.00 0.00 C ATOM 0 H ILE A 51 3.130 -9.122 -9.454 1.00 0.00 H new ATOM 0 HA ILE A 51 2.659 -6.771 -7.930 1.00 0.00 H new ATOM 0 HB ILE A 51 3.981 -9.369 -7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.019 -8.716 -7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.778 -9.637 -8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.017 -8.794 -4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.136 -7.536 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.378 -7.279 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.744 -11.119 -6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.510 -11.336 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.739 -10.400 -5.361 1.00 0.00 H new ATOM 801 N VAL A 52 5.745 -7.589 -8.639 1.00 0.00 N ATOM 802 CA VAL A 52 7.131 -7.138 -8.590 1.00 0.00 C ATOM 803 C VAL A 52 7.279 -5.747 -9.195 1.00 0.00 C ATOM 804 O VAL A 52 7.833 -4.842 -8.571 1.00 0.00 O ATOM 805 CB VAL A 52 8.065 -8.112 -9.334 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.461 -7.522 -9.458 1.00 0.00 C ATOM 807 CG2 VAL A 52 8.105 -9.457 -8.626 1.00 0.00 C ATOM 0 H VAL A 52 5.581 -8.380 -9.261 1.00 0.00 H new ATOM 0 HA VAL A 52 7.416 -7.105 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 52 7.673 -8.269 -10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.107 -8.224 -9.986 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.412 -6.585 -10.013 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.866 -7.334 -8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.769 -10.132 -9.165 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.472 -9.322 -7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.102 -9.882 -8.596 1.00 0.00 H new ATOM 817 N VAL A 53 6.777 -5.582 -10.415 1.00 0.00 N ATOM 818 CA VAL A 53 6.852 -4.300 -11.105 1.00 0.00 C ATOM 819 C VAL A 53 6.220 -3.190 -10.272 1.00 0.00 C ATOM 820 O VAL A 53 6.725 -2.069 -10.228 1.00 0.00 O ATOM 821 CB VAL A 53 6.153 -4.359 -12.476 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.209 -3.004 -13.164 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.781 -5.436 -13.348 1.00 0.00 C ATOM 0 H VAL A 53 6.314 -6.320 -10.945 1.00 0.00 H new ATOM 0 HA VAL A 53 7.910 -4.082 -11.254 1.00 0.00 H new ATOM 0 HB VAL A 53 5.105 -4.616 -12.319 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.710 -3.066 -14.131 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.708 -2.260 -12.544 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.249 -2.713 -13.311 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.275 -5.464 -14.313 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.837 -5.212 -13.499 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.682 -6.405 -12.858 1.00 0.00 H new ATOM 833 N TRP A 54 5.112 -3.511 -9.613 1.00 0.00 N ATOM 834 CA TRP A 54 4.411 -2.541 -8.780 1.00 0.00 C ATOM 835 C TRP A 54 5.234 -2.186 -7.547 1.00 0.00 C ATOM 836 O TRP A 54 5.355 -1.015 -7.184 1.00 0.00 O ATOM 837 CB TRP A 54 3.048 -3.091 -8.358 1.00 0.00 C ATOM 838 CG TRP A 54 2.230 -2.113 -7.570 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.176 -1.372 -8.025 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.400 -1.767 -6.191 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.681 -0.587 -7.012 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.414 -0.812 -5.876 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.288 -2.174 -5.192 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.294 -0.258 -4.605 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.168 -1.623 -3.930 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.177 -0.674 -3.645 1.00 0.00 C ATOM 0 H TRP A 54 4.680 -4.435 -9.639 1.00 0.00 H new ATOM 0 HA TRP A 54 4.263 -1.635 -9.368 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.492 -3.385 -9.248 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.196 -3.992 -7.763 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.789 -1.399 -9.033 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.105 0.059 -7.092 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.054 -2.906 -5.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.531 0.474 -4.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.850 -1.929 -3.150 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.109 -0.263 -2.649 1.00 0.00 H new ATOM 857 N PHE A 55 5.799 -3.203 -6.905 1.00 0.00 N ATOM 858 CA PHE A 55 6.610 -2.998 -5.711 1.00 0.00 C ATOM 859 C PHE A 55 7.882 -2.223 -6.044 1.00 0.00 C ATOM 860 O PHE A 55 8.295 -1.337 -5.296 1.00 0.00 O ATOM 861 CB PHE A 55 6.970 -4.343 -5.076 1.00 0.00 C ATOM 862 CG PHE A 55 5.975 -4.808 -4.052 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.655 -5.039 -4.405 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.358 -5.014 -2.737 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.736 -5.468 -3.466 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.444 -5.443 -1.793 1.00 0.00 C ATOM 867 CZ PHE A 55 4.131 -5.669 -2.158 1.00 0.00 C ATOM 0 H PHE A 55 5.710 -4.178 -7.192 1.00 0.00 H new ATOM 0 HA PHE A 55 6.025 -2.414 -5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.051 -5.096 -5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.951 -4.264 -4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.341 -4.882 -5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.383 -4.837 -2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.711 -5.646 -3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.756 -5.601 -0.771 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.415 -6.002 -1.422 1.00 0.00 H new ATOM 877 N GLN A 56 8.498 -2.565 -7.171 1.00 0.00 N ATOM 878 CA GLN A 56 9.723 -1.903 -7.603 1.00 0.00 C ATOM 879 C GLN A 56 9.520 -0.395 -7.705 1.00 0.00 C ATOM 880 O GLN A 56 10.266 0.383 -7.112 1.00 0.00 O ATOM 881 CB GLN A 56 10.181 -2.461 -8.952 1.00 0.00 C ATOM 882 CG GLN A 56 10.977 -3.751 -8.838 1.00 0.00 C ATOM 883 CD GLN A 56 11.987 -3.915 -9.957 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.530 -2.934 -10.467 1.00 0.00 O ATOM 885 NE2 GLN A 56 12.244 -5.158 -10.346 1.00 0.00 N ATOM 0 H GLN A 56 8.169 -3.296 -7.801 1.00 0.00 H new ATOM 0 HA GLN A 56 10.494 -2.097 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.307 -2.637 -9.579 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.790 -1.712 -9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.496 -3.770 -7.880 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.291 -4.598 -8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.771 -5.941 -9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.914 -5.330 -11.095 1.00 0.00 H new ATOM 894 N ASN A 57 8.506 0.010 -8.462 1.00 0.00 N ATOM 895 CA ASN A 57 8.205 1.426 -8.643 1.00 0.00 C ATOM 896 C ASN A 57 7.876 2.087 -7.308 1.00 0.00 C ATOM 897 O ASN A 57 8.464 3.105 -6.947 1.00 0.00 O ATOM 898 CB ASN A 57 7.035 1.600 -9.614 1.00 0.00 C ATOM 899 CG ASN A 57 7.459 1.453 -11.063 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.623 2.443 -11.776 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.638 0.214 -11.504 1.00 0.00 N ATOM 0 H ASN A 57 7.879 -0.622 -8.960 1.00 0.00 H new ATOM 0 HA ASN A 57 9.089 1.910 -9.059 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.265 0.862 -9.387 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.588 2.583 -9.467 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.923 0.053 -12.470 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.490 -0.577 -10.877 1.00 0.00 H new ATOM 908 N ALA A 58 6.932 1.499 -6.580 1.00 0.00 N ATOM 909 CA ALA A 58 6.526 2.029 -5.284 1.00 0.00 C ATOM 910 C ALA A 58 7.734 2.490 -4.477 1.00 0.00 C ATOM 911 O ALA A 58 7.663 3.475 -3.743 1.00 0.00 O ATOM 912 CB ALA A 58 5.738 0.983 -4.510 1.00 0.00 C ATOM 0 H ALA A 58 6.434 0.656 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 58 5.887 2.895 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.441 1.392 -3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.848 0.706 -5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.359 0.101 -4.355 1.00 0.00 H new ATOM 918 N ARG A 59 8.843 1.770 -4.616 1.00 0.00 N ATOM 919 CA ARG A 59 10.066 2.104 -3.898 1.00 0.00 C ATOM 920 C ARG A 59 10.688 3.384 -4.449 1.00 0.00 C ATOM 921 O ARG A 59 11.135 4.245 -3.691 1.00 0.00 O ATOM 922 CB ARG A 59 11.070 0.954 -3.994 1.00 0.00 C ATOM 923 CG ARG A 59 10.668 -0.274 -3.194 1.00 0.00 C ATOM 924 CD ARG A 59 11.782 -1.308 -3.162 1.00 0.00 C ATOM 925 NE ARG A 59 12.067 -1.847 -4.490 1.00 0.00 N ATOM 926 CZ ARG A 59 13.221 -2.415 -4.821 1.00 0.00 C ATOM 927 NH1 ARG A 59 14.193 -2.519 -3.925 1.00 0.00 N ATOM 928 NH2 ARG A 59 13.404 -2.881 -6.049 1.00 0.00 N ATOM 0 H ARG A 59 8.919 0.951 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 59 9.810 2.267 -2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.188 0.673 -5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.042 1.302 -3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.415 0.021 -2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.772 -0.716 -3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.685 -0.855 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.502 -2.122 -2.493 1.00 0.00 H new ATOM 0 HE ARG A 59 11.339 -1.783 -5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.055 -2.162 -2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.078 -2.956 -4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.658 -2.803 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.291 -3.317 -6.302 1.00 0.00 H new