USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=7 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= -0.0382 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.25! C(o=-4.3!,f=-5.5!) USER MOD Single : A 23 GLN : amide:sc= -2.56! C(o=-2.6!,f=-3.7!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0865 F(o=-0.93,f=-0.087) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 146:sc= -0.116 (180deg=-1.09) USER MOD Single : A 39 GLN : amide:sc= -0.0546 X(o=-0.055,f=-0.37) USER MOD Single : A 41 SER OG : rot -53:sc= 0.772 USER MOD Single : A 42 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.933 K(o=-0.93,f=-2.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.34) USER MOD Single : A 57 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.318 -2.257 -10.764 1.00 0.00 N ATOM 175 CA PHE A 14 -5.709 -2.955 -9.544 1.00 0.00 C ATOM 176 C PHE A 14 -6.834 -2.212 -8.829 1.00 0.00 C ATOM 177 O PHE A 14 -6.981 -0.997 -8.972 1.00 0.00 O ATOM 178 CB PHE A 14 -4.506 -3.104 -8.610 1.00 0.00 C ATOM 179 CG PHE A 14 -3.250 -3.533 -9.312 1.00 0.00 C ATOM 180 CD1 PHE A 14 -3.072 -4.853 -9.694 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.249 -2.618 -9.591 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.916 -5.251 -10.340 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.092 -3.010 -10.238 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.926 -4.328 -10.613 1.00 0.00 C ATOM 0 HA PHE A 14 -6.071 -3.945 -9.821 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.326 -2.153 -8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.746 -3.832 -7.835 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.844 -5.579 -9.485 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.374 -1.586 -9.300 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.788 -6.283 -10.631 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.319 -2.286 -10.450 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.023 -4.637 -11.119 1.00 0.00 H new ATOM 194 N THR A 15 -7.627 -2.950 -8.060 1.00 0.00 N ATOM 195 CA THR A 15 -8.740 -2.364 -7.324 1.00 0.00 C ATOM 196 C THR A 15 -8.397 -2.199 -5.848 1.00 0.00 C ATOM 197 O THR A 15 -7.528 -2.895 -5.321 1.00 0.00 O ATOM 198 CB THR A 15 -10.013 -3.222 -7.451 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.106 -2.579 -6.788 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.794 -4.605 -6.855 1.00 0.00 C ATOM 0 H THR A 15 -7.519 -3.956 -7.930 1.00 0.00 H new ATOM 0 HA THR A 15 -8.927 -1.384 -7.763 1.00 0.00 H new ATOM 0 HB THR A 15 -10.246 -3.332 -8.510 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.911 -3.130 -6.875 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.706 -5.193 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.980 -5.104 -7.382 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.538 -4.510 -5.800 1.00 0.00 H new ATOM 208 N ASP A 16 -9.085 -1.276 -5.185 1.00 0.00 N ATOM 209 CA ASP A 16 -8.855 -1.022 -3.768 1.00 0.00 C ATOM 210 C ASP A 16 -8.509 -2.313 -3.033 1.00 0.00 C ATOM 211 O ASP A 16 -7.565 -2.357 -2.244 1.00 0.00 O ATOM 212 CB ASP A 16 -10.089 -0.376 -3.136 1.00 0.00 C ATOM 213 CG ASP A 16 -10.627 0.775 -3.963 1.00 0.00 C ATOM 214 OD1 ASP A 16 -9.888 1.763 -4.157 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.787 0.688 -4.416 1.00 0.00 O ATOM 0 H ASP A 16 -9.807 -0.691 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.011 -0.338 -3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.868 -1.129 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.837 -0.016 -2.139 1.00 0.00 H new ATOM 220 N TYR A 17 -9.280 -3.362 -3.297 1.00 0.00 N ATOM 221 CA TYR A 17 -9.057 -4.654 -2.658 1.00 0.00 C ATOM 222 C TYR A 17 -7.621 -5.125 -2.868 1.00 0.00 C ATOM 223 O TYR A 17 -6.936 -5.503 -1.918 1.00 0.00 O ATOM 224 CB TYR A 17 -10.033 -5.694 -3.210 1.00 0.00 C ATOM 225 CG TYR A 17 -9.565 -7.121 -3.028 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.113 -7.572 -1.794 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.573 -8.016 -4.090 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.683 -8.874 -1.623 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.147 -9.320 -3.928 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.703 -9.744 -2.693 1.00 0.00 C ATOM 231 OH TYR A 17 -8.276 -11.042 -2.528 1.00 0.00 O ATOM 0 H TYR A 17 -10.064 -3.343 -3.949 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.228 -4.536 -1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.998 -5.571 -2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.190 -5.505 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.097 -6.893 -0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.918 -7.687 -5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.333 -9.208 -0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.162 -10.004 -4.764 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.355 -11.523 -3.378 1.00 0.00 H new ATOM 241 N GLN A 18 -7.174 -5.099 -4.119 1.00 0.00 N ATOM 242 CA GLN A 18 -5.820 -5.523 -4.454 1.00 0.00 C ATOM 243 C GLN A 18 -4.793 -4.507 -3.965 1.00 0.00 C ATOM 244 O GLN A 18 -3.829 -4.860 -3.284 1.00 0.00 O ATOM 245 CB GLN A 18 -5.683 -5.717 -5.966 1.00 0.00 C ATOM 246 CG GLN A 18 -6.682 -6.704 -6.546 1.00 0.00 C ATOM 247 CD GLN A 18 -6.145 -7.433 -7.762 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.627 -6.814 -8.692 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.265 -8.755 -7.761 1.00 0.00 N ATOM 0 H GLN A 18 -7.729 -4.789 -4.917 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.630 -6.473 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.808 -4.754 -6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.673 -6.061 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.953 -7.432 -5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.594 -6.173 -6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.701 -9.227 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.921 -9.299 -8.552 1.00 0.00 H new ATOM 258 N LEU A 19 -5.006 -3.243 -4.316 1.00 0.00 N ATOM 259 CA LEU A 19 -4.099 -2.174 -3.912 1.00 0.00 C ATOM 260 C LEU A 19 -3.924 -2.152 -2.397 1.00 0.00 C ATOM 261 O LEU A 19 -2.858 -1.800 -1.891 1.00 0.00 O ATOM 262 CB LEU A 19 -4.626 -0.822 -4.396 1.00 0.00 C ATOM 263 CG LEU A 19 -4.471 -0.537 -5.890 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.095 0.804 -6.246 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.002 -0.567 -6.289 1.00 0.00 C ATOM 0 H LEU A 19 -5.798 -2.934 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.127 -2.363 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.684 -0.755 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.114 -0.035 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.994 -1.316 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.975 0.989 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.156 0.789 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.602 1.596 -5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.910 -0.362 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.456 0.190 -5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.586 -1.551 -6.071 1.00 0.00 H new ATOM 277 N ARG A 20 -4.976 -2.531 -1.679 1.00 0.00 N ATOM 278 CA ARG A 20 -4.938 -2.555 -0.222 1.00 0.00 C ATOM 279 C ARG A 20 -3.913 -3.570 0.278 1.00 0.00 C ATOM 280 O ARG A 20 -3.087 -3.262 1.138 1.00 0.00 O ATOM 281 CB ARG A 20 -6.320 -2.891 0.340 1.00 0.00 C ATOM 282 CG ARG A 20 -6.415 -2.745 1.850 1.00 0.00 C ATOM 283 CD ARG A 20 -5.995 -4.022 2.561 1.00 0.00 C ATOM 284 NE ARG A 20 -5.981 -3.862 4.012 1.00 0.00 N ATOM 285 CZ ARG A 20 -7.080 -3.751 4.749 1.00 0.00 C ATOM 286 NH1 ARG A 20 -8.274 -3.782 4.174 1.00 0.00 N ATOM 287 NH2 ARG A 20 -6.986 -3.608 6.065 1.00 0.00 N ATOM 0 H ARG A 20 -5.865 -2.826 -2.083 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.643 -1.565 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.060 -2.241 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.576 -3.914 0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.782 -1.920 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.438 -2.492 2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.678 -4.828 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.003 -4.317 2.219 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.078 -3.834 4.485 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.350 -3.891 3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.116 -3.697 4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.069 -3.583 6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.831 -3.523 6.630 1.00 0.00 H new ATOM 301 N VAL A 21 -3.974 -4.781 -0.265 1.00 0.00 N ATOM 302 CA VAL A 21 -3.052 -5.841 0.125 1.00 0.00 C ATOM 303 C VAL A 21 -1.633 -5.534 -0.341 1.00 0.00 C ATOM 304 O VAL A 21 -0.670 -5.707 0.408 1.00 0.00 O ATOM 305 CB VAL A 21 -3.486 -7.202 -0.450 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.464 -8.276 -0.110 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.865 -7.584 0.068 1.00 0.00 C ATOM 0 H VAL A 21 -4.652 -5.053 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.071 -5.892 1.214 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.541 -7.117 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.788 -9.231 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.497 -8.005 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.374 -8.363 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.156 -8.548 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.839 -7.651 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.589 -6.826 -0.232 1.00 0.00 H new ATOM 317 N LEU A 22 -1.510 -5.078 -1.583 1.00 0.00 N ATOM 318 CA LEU A 22 -0.208 -4.745 -2.150 1.00 0.00 C ATOM 319 C LEU A 22 0.434 -3.584 -1.398 1.00 0.00 C ATOM 320 O LEU A 22 1.608 -3.641 -1.034 1.00 0.00 O ATOM 321 CB LEU A 22 -0.350 -4.392 -3.632 1.00 0.00 C ATOM 322 CG LEU A 22 -0.950 -5.478 -4.526 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.382 -4.891 -5.861 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.047 -6.608 -4.735 1.00 0.00 C ATOM 0 H LEU A 22 -2.296 -4.931 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 22 0.437 -5.618 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.969 -3.499 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.636 -4.134 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.831 -5.885 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.807 -5.678 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.131 -4.117 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.518 -4.456 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.397 -7.372 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.947 -6.216 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.307 -7.047 -3.772 1.00 0.00 H new ATOM 336 N GLN A 23 -0.346 -2.532 -1.168 1.00 0.00 N ATOM 337 CA GLN A 23 0.146 -1.358 -0.457 1.00 0.00 C ATOM 338 C GLN A 23 0.396 -1.676 1.013 1.00 0.00 C ATOM 339 O GLN A 23 1.368 -1.205 1.604 1.00 0.00 O ATOM 340 CB GLN A 23 -0.852 -0.206 -0.579 1.00 0.00 C ATOM 341 CG GLN A 23 -0.218 1.168 -0.434 1.00 0.00 C ATOM 342 CD GLN A 23 0.755 1.241 0.727 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.351 1.269 1.890 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.046 1.273 0.417 1.00 0.00 N ATOM 0 H GLN A 23 -1.320 -2.469 -1.464 1.00 0.00 H new ATOM 0 HA GLN A 23 1.091 -1.060 -0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.348 -0.267 -1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.623 -0.323 0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.303 1.423 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.001 1.913 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.337 1.248 -0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.747 1.323 1.156 1.00 0.00 H new ATOM 353 N ASP A 24 -0.487 -2.478 1.598 1.00 0.00 N ATOM 354 CA ASP A 24 -0.362 -2.860 3.000 1.00 0.00 C ATOM 355 C ASP A 24 0.897 -3.692 3.226 1.00 0.00 C ATOM 356 O ASP A 24 1.576 -3.545 4.242 1.00 0.00 O ATOM 357 CB ASP A 24 -1.595 -3.646 3.448 1.00 0.00 C ATOM 358 CG ASP A 24 -1.532 -4.036 4.912 1.00 0.00 C ATOM 359 OD1 ASP A 24 -0.895 -5.063 5.225 1.00 0.00 O ATOM 360 OD2 ASP A 24 -2.121 -3.315 5.744 1.00 0.00 O ATOM 0 H ASP A 24 -1.297 -2.876 1.123 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.286 -1.949 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.488 -3.046 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.690 -4.545 2.839 1.00 0.00 H new ATOM 365 N PHE A 25 1.201 -4.567 2.273 1.00 0.00 N ATOM 366 CA PHE A 25 2.377 -5.424 2.369 1.00 0.00 C ATOM 367 C PHE A 25 3.653 -4.627 2.118 1.00 0.00 C ATOM 368 O PHE A 25 4.721 -4.966 2.628 1.00 0.00 O ATOM 369 CB PHE A 25 2.277 -6.577 1.368 1.00 0.00 C ATOM 370 CG PHE A 25 3.300 -7.653 1.590 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.643 -7.410 1.352 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.919 -8.909 2.034 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.588 -8.398 1.555 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.860 -9.901 2.239 1.00 0.00 C ATOM 375 CZ PHE A 25 5.195 -9.646 1.998 1.00 0.00 C ATOM 0 H PHE A 25 0.649 -4.701 1.426 1.00 0.00 H new ATOM 0 HA PHE A 25 2.417 -5.831 3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.281 -7.015 1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.390 -6.182 0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.955 -6.437 1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.876 -9.115 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.632 -8.195 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.551 -10.875 2.588 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.931 -10.421 2.155 1.00 0.00 H new ATOM 385 N PHE A 26 3.534 -3.565 1.328 1.00 0.00 N ATOM 386 CA PHE A 26 4.678 -2.719 1.007 1.00 0.00 C ATOM 387 C PHE A 26 5.042 -1.825 2.188 1.00 0.00 C ATOM 388 O PHE A 26 6.212 -1.710 2.556 1.00 0.00 O ATOM 389 CB PHE A 26 4.375 -1.860 -0.223 1.00 0.00 C ATOM 390 CG PHE A 26 5.456 -0.868 -0.542 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.570 0.309 0.180 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.359 -1.112 -1.564 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.564 1.224 -0.112 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.355 -0.201 -1.861 1.00 0.00 C ATOM 395 CZ PHE A 26 7.458 0.968 -1.133 1.00 0.00 C ATOM 0 H PHE A 26 2.657 -3.270 0.898 1.00 0.00 H new ATOM 0 HA PHE A 26 5.527 -3.367 0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.226 -2.512 -1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.439 -1.326 -0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.874 0.514 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.284 -2.025 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.641 2.138 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.052 -0.403 -2.661 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.236 1.681 -1.362 1.00 0.00 H new ATOM 405 N ASP A 27 4.033 -1.195 2.778 1.00 0.00 N ATOM 406 CA ASP A 27 4.245 -0.311 3.919 1.00 0.00 C ATOM 407 C ASP A 27 4.993 -1.034 5.034 1.00 0.00 C ATOM 408 O ASP A 27 5.713 -0.413 5.816 1.00 0.00 O ATOM 409 CB ASP A 27 2.907 0.213 4.441 1.00 0.00 C ATOM 410 CG ASP A 27 3.046 1.539 5.163 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.705 2.448 4.614 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.497 1.669 6.277 1.00 0.00 O ATOM 0 H ASP A 27 3.060 -1.280 2.485 1.00 0.00 H new ATOM 0 HA ASP A 27 4.851 0.532 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.215 0.328 3.607 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.471 -0.522 5.118 1.00 0.00 H new ATOM 417 N ALA A 28 4.818 -2.349 5.102 1.00 0.00 N ATOM 418 CA ALA A 28 5.476 -3.157 6.121 1.00 0.00 C ATOM 419 C ALA A 28 6.744 -3.805 5.574 1.00 0.00 C ATOM 420 O ALA A 28 7.770 -3.850 6.250 1.00 0.00 O ATOM 421 CB ALA A 28 4.524 -4.219 6.649 1.00 0.00 C ATOM 0 H ALA A 28 4.225 -2.878 4.463 1.00 0.00 H new ATOM 0 HA ALA A 28 5.761 -2.500 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.029 -4.815 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.649 -3.738 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.210 -4.866 5.830 1.00 0.00 H new ATOM 427 N ASN A 29 6.664 -4.305 4.345 1.00 0.00 N ATOM 428 CA ASN A 29 7.805 -4.952 3.708 1.00 0.00 C ATOM 429 C ASN A 29 7.820 -4.673 2.208 1.00 0.00 C ATOM 430 O ASN A 29 6.850 -4.952 1.504 1.00 0.00 O ATOM 431 CB ASN A 29 7.767 -6.461 3.957 1.00 0.00 C ATOM 432 CG ASN A 29 9.093 -7.131 3.651 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.058 -8.152 2.803 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.136 -6.734 4.171 1.00 0.00 N flip ATOM 0 H ASN A 29 5.821 -4.274 3.771 1.00 0.00 H new ATOM 0 HA ASN A 29 8.715 -4.541 4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.500 -6.648 4.997 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.986 -6.908 3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.116 -5.945 4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.021 -7.194 3.955 1.00 0.00 H new ATOM 441 N ALA A 30 8.929 -4.122 1.725 1.00 0.00 N ATOM 442 CA ALA A 30 9.073 -3.807 0.309 1.00 0.00 C ATOM 443 C ALA A 30 10.247 -4.562 -0.304 1.00 0.00 C ATOM 444 O ALA A 30 10.657 -4.282 -1.431 1.00 0.00 O ATOM 445 CB ALA A 30 9.247 -2.308 0.116 1.00 0.00 C ATOM 0 H ALA A 30 9.741 -3.884 2.294 1.00 0.00 H new ATOM 0 HA ALA A 30 8.164 -4.124 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.353 -2.088 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.374 -1.787 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.138 -1.974 0.647 1.00 0.00 H new ATOM 451 N TYR A 31 10.784 -5.520 0.443 1.00 0.00 N ATOM 452 CA TYR A 31 11.914 -6.313 -0.027 1.00 0.00 C ATOM 453 C TYR A 31 11.671 -7.801 0.211 1.00 0.00 C ATOM 454 O TYR A 31 12.563 -8.544 0.619 1.00 0.00 O ATOM 455 CB TYR A 31 13.199 -5.876 0.678 1.00 0.00 C ATOM 456 CG TYR A 31 13.261 -4.391 0.958 1.00 0.00 C ATOM 457 CD1 TYR A 31 13.141 -3.465 -0.071 1.00 0.00 C ATOM 458 CD2 TYR A 31 13.439 -3.915 2.251 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.198 -2.108 0.180 1.00 0.00 C ATOM 460 CE2 TYR A 31 13.495 -2.559 2.511 1.00 0.00 C ATOM 461 CZ TYR A 31 13.375 -1.660 1.472 1.00 0.00 C ATOM 462 OH TYR A 31 13.432 -0.309 1.727 1.00 0.00 O ATOM 0 H TYR A 31 10.455 -5.766 1.377 1.00 0.00 H new ATOM 0 HA TYR A 31 12.021 -6.147 -1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.290 -6.419 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.054 -6.157 0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.001 -3.812 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.535 -4.616 3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.104 -1.401 -0.631 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.632 -2.205 3.522 1.00 0.00 H new ATOM 0 HH TYR A 31 13.559 -0.162 2.688 1.00 0.00 H new ATOM 472 N PRO A 32 10.433 -8.247 -0.052 1.00 0.00 N ATOM 473 CA PRO A 32 10.043 -9.649 0.125 1.00 0.00 C ATOM 474 C PRO A 32 10.697 -10.566 -0.903 1.00 0.00 C ATOM 475 O PRO A 32 11.098 -10.123 -1.980 1.00 0.00 O ATOM 476 CB PRO A 32 8.525 -9.622 -0.072 1.00 0.00 C ATOM 477 CG PRO A 32 8.275 -8.427 -0.926 1.00 0.00 C ATOM 478 CD PRO A 32 9.320 -7.416 -0.541 1.00 0.00 C ATOM 0 HA PRO A 32 10.354 -10.040 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.172 -10.534 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.003 -9.543 0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.349 -8.681 -1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.272 -8.033 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.619 -6.803 -1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.957 -6.736 0.230 1.00 0.00 H new ATOM 486 N LYS A 33 10.802 -11.846 -0.564 1.00 0.00 N ATOM 487 CA LYS A 33 11.406 -12.828 -1.458 1.00 0.00 C ATOM 488 C LYS A 33 10.335 -13.606 -2.215 1.00 0.00 C ATOM 489 O LYS A 33 9.145 -13.489 -1.921 1.00 0.00 O ATOM 490 CB LYS A 33 12.289 -13.794 -0.665 1.00 0.00 C ATOM 491 CG LYS A 33 13.414 -13.110 0.090 1.00 0.00 C ATOM 492 CD LYS A 33 14.600 -14.039 0.287 1.00 0.00 C ATOM 493 CE LYS A 33 14.333 -15.060 1.383 1.00 0.00 C ATOM 494 NZ LYS A 33 13.552 -16.223 0.879 1.00 0.00 N ATOM 0 H LYS A 33 10.477 -12.228 0.324 1.00 0.00 H new ATOM 0 HA LYS A 33 12.021 -12.294 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.668 -14.342 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.715 -14.528 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.733 -12.222 -0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.050 -12.773 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.818 -14.556 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.484 -13.454 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.281 -15.409 1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.789 -14.583 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.854 -17.085 1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.539 -16.061 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.717 -16.336 -0.142 1.00 0.00 H new ATOM 508 N ASP A 34 10.764 -14.399 -3.190 1.00 0.00 N ATOM 509 CA ASP A 34 9.842 -15.199 -3.988 1.00 0.00 C ATOM 510 C ASP A 34 8.760 -15.819 -3.109 1.00 0.00 C ATOM 511 O ASP A 34 7.567 -15.638 -3.355 1.00 0.00 O ATOM 512 CB ASP A 34 10.600 -16.297 -4.736 1.00 0.00 C ATOM 513 CG ASP A 34 11.569 -15.737 -5.758 1.00 0.00 C ATOM 514 OD1 ASP A 34 11.111 -15.315 -6.841 1.00 0.00 O ATOM 515 OD2 ASP A 34 12.786 -15.722 -5.477 1.00 0.00 O ATOM 0 H ASP A 34 11.745 -14.505 -3.447 1.00 0.00 H new ATOM 0 HA ASP A 34 9.363 -14.541 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.146 -16.910 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.886 -16.951 -5.237 1.00 0.00 H new ATOM 520 N ASP A 35 9.184 -16.551 -2.085 1.00 0.00 N ATOM 521 CA ASP A 35 8.252 -17.198 -1.169 1.00 0.00 C ATOM 522 C ASP A 35 7.174 -16.220 -0.710 1.00 0.00 C ATOM 523 O ASP A 35 5.987 -16.541 -0.723 1.00 0.00 O ATOM 524 CB ASP A 35 8.999 -17.758 0.042 1.00 0.00 C ATOM 525 CG ASP A 35 8.317 -18.977 0.630 1.00 0.00 C ATOM 526 OD1 ASP A 35 7.075 -19.063 0.539 1.00 0.00 O ATOM 527 OD2 ASP A 35 9.025 -19.845 1.182 1.00 0.00 O ATOM 0 H ASP A 35 10.168 -16.711 -1.868 1.00 0.00 H new ATOM 0 HA ASP A 35 7.770 -18.019 -1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.016 -18.020 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.077 -16.985 0.806 1.00 0.00 H new ATOM 532 N GLU A 36 7.599 -15.027 -0.305 1.00 0.00 N ATOM 533 CA GLU A 36 6.669 -14.005 0.161 1.00 0.00 C ATOM 534 C GLU A 36 5.730 -13.572 -0.962 1.00 0.00 C ATOM 535 O GLU A 36 4.509 -13.597 -0.809 1.00 0.00 O ATOM 536 CB GLU A 36 7.435 -12.793 0.695 1.00 0.00 C ATOM 537 CG GLU A 36 8.208 -13.076 1.972 1.00 0.00 C ATOM 538 CD GLU A 36 7.304 -13.225 3.180 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.221 -12.603 3.190 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.678 -13.963 4.116 1.00 0.00 O ATOM 0 H GLU A 36 8.579 -14.745 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 36 6.072 -14.433 0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.129 -12.446 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.731 -11.981 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.791 -13.988 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.916 -12.267 2.150 1.00 0.00 H new ATOM 547 N PHE A 37 6.310 -13.174 -2.090 1.00 0.00 N ATOM 548 CA PHE A 37 5.527 -12.734 -3.238 1.00 0.00 C ATOM 549 C PHE A 37 4.414 -13.730 -3.551 1.00 0.00 C ATOM 550 O PHE A 37 3.316 -13.343 -3.953 1.00 0.00 O ATOM 551 CB PHE A 37 6.429 -12.560 -4.462 1.00 0.00 C ATOM 552 CG PHE A 37 7.038 -11.190 -4.567 1.00 0.00 C ATOM 553 CD1 PHE A 37 8.256 -10.912 -3.970 1.00 0.00 C ATOM 554 CD2 PHE A 37 6.391 -10.182 -5.263 1.00 0.00 C ATOM 555 CE1 PHE A 37 8.819 -9.653 -4.065 1.00 0.00 C ATOM 556 CE2 PHE A 37 6.949 -8.922 -5.363 1.00 0.00 C ATOM 557 CZ PHE A 37 8.164 -8.656 -4.762 1.00 0.00 C ATOM 0 H PHE A 37 7.320 -13.147 -2.233 1.00 0.00 H new ATOM 0 HA PHE A 37 5.074 -11.774 -2.990 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.227 -13.302 -4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.849 -12.761 -5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.772 -11.688 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.440 -10.383 -5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.770 -9.449 -3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.436 -8.146 -5.911 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.601 -7.671 -4.837 1.00 0.00 H new ATOM 567 N GLU A 38 4.706 -15.013 -3.365 1.00 0.00 N ATOM 568 CA GLU A 38 3.731 -16.064 -3.628 1.00 0.00 C ATOM 569 C GLU A 38 2.476 -15.867 -2.783 1.00 0.00 C ATOM 570 O GLU A 38 1.356 -16.008 -3.273 1.00 0.00 O ATOM 571 CB GLU A 38 4.340 -17.439 -3.344 1.00 0.00 C ATOM 572 CG GLU A 38 5.022 -18.064 -4.550 1.00 0.00 C ATOM 573 CD GLU A 38 4.058 -18.836 -5.430 1.00 0.00 C ATOM 574 OE1 GLU A 38 2.902 -18.387 -5.580 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.459 -19.889 -5.968 1.00 0.00 O ATOM 0 H GLU A 38 5.610 -15.350 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 38 3.452 -16.009 -4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.065 -17.346 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.555 -18.109 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.499 -17.281 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.813 -18.733 -4.210 1.00 0.00 H new ATOM 582 N GLN A 39 2.673 -15.541 -1.509 1.00 0.00 N ATOM 583 CA GLN A 39 1.558 -15.325 -0.595 1.00 0.00 C ATOM 584 C GLN A 39 0.551 -14.344 -1.186 1.00 0.00 C ATOM 585 O GLN A 39 -0.651 -14.613 -1.215 1.00 0.00 O ATOM 586 CB GLN A 39 2.067 -14.804 0.750 1.00 0.00 C ATOM 587 CG GLN A 39 3.083 -15.720 1.413 1.00 0.00 C ATOM 588 CD GLN A 39 2.436 -16.765 2.300 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.556 -16.454 3.104 1.00 0.00 O ATOM 590 NE2 GLN A 39 2.869 -18.012 2.160 1.00 0.00 N ATOM 0 H GLN A 39 3.594 -15.421 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 39 1.058 -16.281 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.517 -13.822 0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.219 -14.669 1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.674 -16.217 0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.773 -15.121 2.008 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.600 -18.225 1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.471 -18.757 2.731 1.00 0.00 H new ATOM 599 N LEU A 40 1.048 -13.206 -1.656 1.00 0.00 N ATOM 600 CA LEU A 40 0.192 -12.183 -2.246 1.00 0.00 C ATOM 601 C LEU A 40 -0.330 -12.629 -3.608 1.00 0.00 C ATOM 602 O LEU A 40 -1.493 -12.405 -3.943 1.00 0.00 O ATOM 603 CB LEU A 40 0.958 -10.867 -2.388 1.00 0.00 C ATOM 604 CG LEU A 40 1.491 -10.257 -1.090 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.767 -9.473 -1.353 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.438 -9.366 -0.448 1.00 0.00 C ATOM 0 H LEU A 40 2.040 -12.968 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.659 -12.031 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.799 -11.030 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.303 -10.138 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 40 1.723 -11.067 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.131 -9.047 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.524 -10.139 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.562 -8.671 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.834 -8.941 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.174 -8.562 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.450 -9.957 -0.223 1.00 0.00 H new ATOM 618 N SER A 41 0.538 -13.265 -4.389 1.00 0.00 N ATOM 619 CA SER A 41 0.165 -13.742 -5.716 1.00 0.00 C ATOM 620 C SER A 41 -0.985 -14.741 -5.631 1.00 0.00 C ATOM 621 O SER A 41 -1.814 -14.828 -6.535 1.00 0.00 O ATOM 622 CB SER A 41 1.368 -14.390 -6.405 1.00 0.00 C ATOM 623 OG SER A 41 1.428 -15.778 -6.127 1.00 0.00 O ATOM 0 H SER A 41 1.504 -13.462 -4.126 1.00 0.00 H new ATOM 0 HA SER A 41 -0.164 -12.885 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.302 -14.234 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.286 -13.909 -6.069 1.00 0.00 H new ATOM 0 HG SER A 41 1.392 -15.919 -5.158 1.00 0.00 H new ATOM 629 N ASN A 42 -1.027 -15.493 -4.536 1.00 0.00 N ATOM 630 CA ASN A 42 -2.074 -16.487 -4.331 1.00 0.00 C ATOM 631 C ASN A 42 -3.358 -15.830 -3.833 1.00 0.00 C ATOM 632 O ASN A 42 -4.461 -16.255 -4.180 1.00 0.00 O ATOM 633 CB ASN A 42 -1.611 -17.549 -3.332 1.00 0.00 C ATOM 634 CG ASN A 42 -0.848 -18.677 -3.999 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.439 -19.547 -4.639 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.472 -18.667 -3.852 1.00 0.00 N ATOM 0 H ASN A 42 -0.348 -15.433 -3.777 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.279 -16.965 -5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.978 -17.082 -2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.478 -17.958 -2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.038 -19.400 -4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.919 -17.926 -3.313 1.00 0.00 H new ATOM 643 N LEU A 43 -3.207 -14.792 -3.019 1.00 0.00 N ATOM 644 CA LEU A 43 -4.354 -14.074 -2.473 1.00 0.00 C ATOM 645 C LEU A 43 -5.045 -13.250 -3.554 1.00 0.00 C ATOM 646 O LEU A 43 -6.232 -13.436 -3.828 1.00 0.00 O ATOM 647 CB LEU A 43 -3.912 -13.164 -1.325 1.00 0.00 C ATOM 648 CG LEU A 43 -4.896 -12.065 -0.923 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.231 -12.668 -0.512 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.321 -11.220 0.204 1.00 0.00 C ATOM 0 H LEU A 43 -2.302 -14.428 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.064 -14.808 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.715 -13.785 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.968 -12.695 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.062 -11.420 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.919 -11.871 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.650 -13.229 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.083 -13.337 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.035 -10.443 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.125 -11.853 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.391 -10.758 -0.126 1.00 0.00 H new ATOM 662 N LEU A 44 -4.296 -12.339 -4.166 1.00 0.00 N ATOM 663 CA LEU A 44 -4.836 -11.487 -5.220 1.00 0.00 C ATOM 664 C LEU A 44 -4.995 -12.265 -6.522 1.00 0.00 C ATOM 665 O LEU A 44 -5.599 -11.780 -7.477 1.00 0.00 O ATOM 666 CB LEU A 44 -3.925 -10.279 -5.442 1.00 0.00 C ATOM 667 CG LEU A 44 -3.588 -9.454 -4.199 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.485 -8.453 -4.506 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.828 -8.741 -3.680 1.00 0.00 C ATOM 0 H LEU A 44 -3.313 -12.171 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.820 -11.140 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.993 -10.629 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.398 -9.622 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.231 -10.131 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.259 -7.875 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.591 -8.985 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.814 -7.780 -5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.570 -8.159 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.215 -8.076 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.589 -9.477 -3.420 1.00 0.00 H new ATOM 681 N ASN A 45 -4.449 -13.477 -6.551 1.00 0.00 N ATOM 682 CA ASN A 45 -4.532 -14.324 -7.736 1.00 0.00 C ATOM 683 C ASN A 45 -3.845 -13.662 -8.926 1.00 0.00 C ATOM 684 O ASN A 45 -4.238 -13.866 -10.076 1.00 0.00 O ATOM 685 CB ASN A 45 -5.994 -14.620 -8.076 1.00 0.00 C ATOM 686 CG ASN A 45 -6.633 -15.581 -7.092 1.00 0.00 C ATOM 687 OD1 ASN A 45 -6.011 -15.987 -6.110 1.00 0.00 O ATOM 688 ND2 ASN A 45 -7.882 -15.950 -7.353 1.00 0.00 N ATOM 0 H ASN A 45 -3.945 -13.894 -5.768 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.020 -15.262 -7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.558 -13.687 -8.087 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.053 -15.040 -9.080 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.364 -16.595 -6.727 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.359 -15.588 -8.179 1.00 0.00 H new ATOM 695 N LEU A 46 -2.817 -12.870 -8.644 1.00 0.00 N ATOM 696 CA LEU A 46 -2.074 -12.177 -9.691 1.00 0.00 C ATOM 697 C LEU A 46 -0.662 -12.741 -9.820 1.00 0.00 C ATOM 698 O LEU A 46 -0.089 -13.271 -8.868 1.00 0.00 O ATOM 699 CB LEU A 46 -2.011 -10.678 -9.394 1.00 0.00 C ATOM 700 CG LEU A 46 -3.356 -9.956 -9.303 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.158 -8.515 -8.858 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.082 -10.009 -10.639 1.00 0.00 C ATOM 0 H LEU A 46 -2.478 -12.691 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.596 -12.332 -10.635 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.480 -10.536 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.415 -10.198 -10.171 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.970 -10.464 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.125 -8.016 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.681 -8.499 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.526 -7.996 -9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.037 -9.490 -10.555 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.473 -9.527 -11.403 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.257 -11.048 -10.917 1.00 0.00 H new ATOM 714 N PRO A 47 -0.086 -12.624 -11.026 1.00 0.00 N ATOM 715 CA PRO A 47 1.267 -13.113 -11.308 1.00 0.00 C ATOM 716 C PRO A 47 2.340 -12.288 -10.606 1.00 0.00 C ATOM 717 O PRO A 47 2.326 -11.057 -10.660 1.00 0.00 O ATOM 718 CB PRO A 47 1.388 -12.967 -12.826 1.00 0.00 C ATOM 719 CG PRO A 47 0.429 -11.883 -13.180 1.00 0.00 C ATOM 720 CD PRO A 47 -0.711 -12.004 -12.206 1.00 0.00 C ATOM 0 HA PRO A 47 1.414 -14.132 -10.951 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.405 -12.707 -13.119 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.138 -13.898 -13.334 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.902 -10.904 -13.107 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.079 -11.992 -14.206 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.142 -11.031 -11.968 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.517 -12.620 -12.605 1.00 0.00 H new ATOM 728 N THR A 48 3.270 -12.972 -9.947 1.00 0.00 N ATOM 729 CA THR A 48 4.350 -12.302 -9.234 1.00 0.00 C ATOM 730 C THR A 48 4.969 -11.198 -10.084 1.00 0.00 C ATOM 731 O THR A 48 5.309 -10.129 -9.578 1.00 0.00 O ATOM 732 CB THR A 48 5.452 -13.296 -8.822 1.00 0.00 C ATOM 733 OG1 THR A 48 5.692 -14.229 -9.881 1.00 0.00 O ATOM 734 CG2 THR A 48 5.060 -14.045 -7.558 1.00 0.00 C ATOM 0 H THR A 48 3.297 -13.990 -9.892 1.00 0.00 H new ATOM 0 HA THR A 48 3.912 -11.864 -8.337 1.00 0.00 H new ATOM 0 HB THR A 48 6.363 -12.732 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.395 -14.856 -9.611 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.854 -14.741 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.908 -13.334 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.137 -14.598 -7.734 1.00 0.00 H new ATOM 742 N ARG A 49 5.111 -11.464 -11.379 1.00 0.00 N ATOM 743 CA ARG A 49 5.689 -10.493 -12.299 1.00 0.00 C ATOM 744 C ARG A 49 4.950 -9.160 -12.218 1.00 0.00 C ATOM 745 O ARG A 49 5.552 -8.095 -12.354 1.00 0.00 O ATOM 746 CB ARG A 49 5.645 -11.027 -13.732 1.00 0.00 C ATOM 747 CG ARG A 49 4.281 -10.893 -14.390 1.00 0.00 C ATOM 748 CD ARG A 49 4.151 -9.575 -15.138 1.00 0.00 C ATOM 749 NE ARG A 49 5.072 -9.494 -16.269 1.00 0.00 N ATOM 750 CZ ARG A 49 5.216 -8.410 -17.022 1.00 0.00 C ATOM 751 NH1 ARG A 49 4.504 -7.321 -16.767 1.00 0.00 N ATOM 752 NH2 ARG A 49 6.075 -8.413 -18.034 1.00 0.00 N ATOM 0 H ARG A 49 4.833 -12.344 -11.814 1.00 0.00 H new ATOM 0 HA ARG A 49 6.728 -10.331 -12.011 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.383 -10.494 -14.332 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.936 -12.077 -13.728 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.126 -11.722 -15.081 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.501 -10.961 -13.631 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.128 -9.460 -15.495 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.344 -8.749 -14.453 1.00 0.00 H new ATOM 0 HE ARG A 49 5.635 -10.315 -16.492 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.843 -7.314 -15.990 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.617 -6.490 -17.348 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.625 -9.248 -18.234 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.185 -7.580 -18.612 1.00 0.00 H new ATOM 766 N VAL A 50 3.641 -9.228 -11.997 1.00 0.00 N ATOM 767 CA VAL A 50 2.819 -8.028 -11.898 1.00 0.00 C ATOM 768 C VAL A 50 3.003 -7.346 -10.547 1.00 0.00 C ATOM 769 O VAL A 50 3.060 -6.119 -10.462 1.00 0.00 O ATOM 770 CB VAL A 50 1.327 -8.351 -12.098 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.458 -7.236 -11.535 1.00 0.00 C ATOM 772 CG2 VAL A 50 1.025 -8.580 -13.571 1.00 0.00 C ATOM 0 H VAL A 50 3.127 -10.102 -11.883 1.00 0.00 H new ATOM 0 HA VAL A 50 3.146 -7.354 -12.690 1.00 0.00 H new ATOM 0 HB VAL A 50 1.096 -9.268 -11.556 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.593 -7.482 -11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.655 -7.124 -10.469 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.689 -6.302 -12.047 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.034 -8.807 -13.694 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.272 -7.682 -14.137 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.620 -9.416 -13.939 1.00 0.00 H new ATOM 782 N ILE A 51 3.097 -8.149 -9.493 1.00 0.00 N ATOM 783 CA ILE A 51 3.276 -7.623 -8.145 1.00 0.00 C ATOM 784 C ILE A 51 4.678 -7.051 -7.960 1.00 0.00 C ATOM 785 O ILE A 51 4.880 -6.112 -7.191 1.00 0.00 O ATOM 786 CB ILE A 51 3.032 -8.708 -7.080 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.733 -9.460 -7.375 1.00 0.00 C ATOM 788 CG2 ILE A 51 2.988 -8.088 -5.692 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.535 -10.687 -6.512 1.00 0.00 C ATOM 0 H ILE A 51 3.052 -9.167 -9.546 1.00 0.00 H new ATOM 0 HA ILE A 51 2.542 -6.828 -8.016 1.00 0.00 H new ATOM 0 HB ILE A 51 3.857 -9.420 -7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.890 -8.784 -7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.725 -9.758 -8.423 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.815 -8.868 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.937 -7.594 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.181 -7.357 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.594 -11.170 -6.776 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.358 -11.383 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.510 -10.394 -5.463 1.00 0.00 H new ATOM 801 N VAL A 52 5.643 -7.623 -8.673 1.00 0.00 N ATOM 802 CA VAL A 52 7.026 -7.169 -8.591 1.00 0.00 C ATOM 803 C VAL A 52 7.178 -5.764 -9.164 1.00 0.00 C ATOM 804 O VAL A 52 7.695 -4.864 -8.502 1.00 0.00 O ATOM 805 CB VAL A 52 7.976 -8.123 -9.339 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.393 -7.571 -9.343 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.936 -9.510 -8.716 1.00 0.00 C ATOM 0 H VAL A 52 5.492 -8.402 -9.314 1.00 0.00 H new ATOM 0 HA VAL A 52 7.293 -7.158 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 52 7.642 -8.205 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.050 -8.259 -9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.404 -6.601 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.742 -7.458 -8.317 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.613 -10.171 -9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.245 -9.449 -7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.922 -9.905 -8.772 1.00 0.00 H new ATOM 817 N VAL A 53 6.724 -5.584 -10.401 1.00 0.00 N ATOM 818 CA VAL A 53 6.808 -4.288 -11.064 1.00 0.00 C ATOM 819 C VAL A 53 6.183 -3.191 -10.209 1.00 0.00 C ATOM 820 O VAL A 53 6.720 -2.088 -10.107 1.00 0.00 O ATOM 821 CB VAL A 53 6.110 -4.314 -12.437 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.150 -2.937 -13.082 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.753 -5.355 -13.341 1.00 0.00 C ATOM 0 H VAL A 53 6.295 -6.319 -10.963 1.00 0.00 H new ATOM 0 HA VAL A 53 7.867 -4.074 -11.207 1.00 0.00 H new ATOM 0 HB VAL A 53 5.066 -4.589 -12.290 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.652 -2.975 -14.051 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.640 -2.219 -12.440 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.187 -2.629 -13.218 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.248 -5.360 -14.307 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.806 -5.112 -13.484 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.667 -6.339 -12.881 1.00 0.00 H new ATOM 833 N TRP A 54 5.047 -3.502 -9.596 1.00 0.00 N ATOM 834 CA TRP A 54 4.348 -2.543 -8.748 1.00 0.00 C ATOM 835 C TRP A 54 5.170 -2.215 -7.507 1.00 0.00 C ATOM 836 O TRP A 54 5.327 -1.048 -7.145 1.00 0.00 O ATOM 837 CB TRP A 54 2.981 -3.093 -8.340 1.00 0.00 C ATOM 838 CG TRP A 54 2.171 -2.128 -7.528 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.116 -1.376 -7.960 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.352 -1.811 -6.143 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.630 -0.610 -6.928 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.370 -0.859 -5.803 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.246 -2.238 -5.158 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.261 -0.330 -4.520 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.136 -1.712 -3.885 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.149 -0.767 -3.575 1.00 0.00 C ATOM 0 H TRP A 54 4.590 -4.411 -9.670 1.00 0.00 H new ATOM 0 HA TRP A 54 4.206 -1.626 -9.319 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.422 -3.360 -9.237 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.122 -4.010 -7.767 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.722 -1.382 -8.965 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.155 0.039 -6.990 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.010 -2.966 -5.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.502 0.400 -4.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.822 -2.035 -3.116 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.088 -0.376 -2.570 1.00 0.00 H new ATOM 857 N PHE A 55 5.691 -3.250 -6.857 1.00 0.00 N ATOM 858 CA PHE A 55 6.496 -3.070 -5.654 1.00 0.00 C ATOM 859 C PHE A 55 7.774 -2.297 -5.965 1.00 0.00 C ATOM 860 O PHE A 55 8.202 -1.446 -5.186 1.00 0.00 O ATOM 861 CB PHE A 55 6.845 -4.428 -5.041 1.00 0.00 C ATOM 862 CG PHE A 55 5.841 -4.906 -4.032 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.525 -5.137 -4.401 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.212 -5.125 -2.715 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.598 -5.578 -3.475 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.289 -5.566 -1.785 1.00 0.00 C ATOM 867 CZ PHE A 55 3.980 -5.791 -2.165 1.00 0.00 C ATOM 0 H PHE A 55 5.570 -4.222 -7.143 1.00 0.00 H new ATOM 0 HA PHE A 55 5.910 -2.495 -4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.927 -5.167 -5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.823 -4.362 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.220 -4.971 -5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.234 -4.949 -2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.576 -5.756 -3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.591 -5.735 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.257 -6.133 -1.439 1.00 0.00 H new ATOM 877 N GLN A 56 8.378 -2.599 -7.110 1.00 0.00 N ATOM 878 CA GLN A 56 9.608 -1.934 -7.524 1.00 0.00 C ATOM 879 C GLN A 56 9.398 -0.428 -7.643 1.00 0.00 C ATOM 880 O GLN A 56 10.153 0.361 -7.076 1.00 0.00 O ATOM 881 CB GLN A 56 10.095 -2.500 -8.859 1.00 0.00 C ATOM 882 CG GLN A 56 10.862 -3.805 -8.722 1.00 0.00 C ATOM 883 CD GLN A 56 11.909 -3.983 -9.804 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.672 -3.064 -10.103 1.00 0.00 O ATOM 885 NE2 GLN A 56 11.951 -5.169 -10.399 1.00 0.00 N ATOM 0 H GLN A 56 8.036 -3.300 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 56 10.365 -2.118 -6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.237 -2.659 -9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.733 -1.762 -9.346 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.345 -3.837 -7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.162 -4.639 -8.759 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.300 -5.903 -10.120 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.635 -5.346 -11.135 1.00 0.00 H new ATOM 894 N ASN A 57 8.367 -0.036 -8.385 1.00 0.00 N ATOM 895 CA ASN A 57 8.058 1.376 -8.580 1.00 0.00 C ATOM 896 C ASN A 57 7.776 2.060 -7.245 1.00 0.00 C ATOM 897 O ASN A 57 8.361 3.096 -6.931 1.00 0.00 O ATOM 898 CB ASN A 57 6.854 1.533 -9.510 1.00 0.00 C ATOM 899 CG ASN A 57 7.194 1.218 -10.954 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.961 1.937 -11.594 1.00 0.00 O ATOM 901 ND2 ASN A 57 6.624 0.137 -11.474 1.00 0.00 N ATOM 0 H ASN A 57 7.732 -0.676 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 57 8.926 1.852 -9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.052 0.874 -9.176 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.477 2.553 -9.443 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.816 -0.126 -12.441 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.994 -0.430 -10.907 1.00 0.00 H new ATOM 908 N ALA A 58 6.876 1.472 -6.464 1.00 0.00 N ATOM 909 CA ALA A 58 6.518 2.023 -5.163 1.00 0.00 C ATOM 910 C ALA A 58 7.752 2.528 -4.422 1.00 0.00 C ATOM 911 O ALA A 58 7.710 3.567 -3.763 1.00 0.00 O ATOM 912 CB ALA A 58 5.791 0.978 -4.329 1.00 0.00 C ATOM 0 H ALA A 58 6.382 0.614 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 58 5.852 2.870 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.530 1.403 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.883 0.667 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.439 0.114 -4.183 1.00 0.00 H new ATOM 918 N ARG A 59 8.849 1.787 -4.535 1.00 0.00 N ATOM 919 CA ARG A 59 10.094 2.159 -3.874 1.00 0.00 C ATOM 920 C ARG A 59 10.663 3.443 -4.470 1.00 0.00 C ATOM 921 O ARG A 59 11.082 4.343 -3.743 1.00 0.00 O ATOM 922 CB ARG A 59 11.119 1.029 -3.997 1.00 0.00 C ATOM 923 CG ARG A 59 10.849 -0.141 -3.066 1.00 0.00 C ATOM 924 CD ARG A 59 11.969 -1.169 -3.125 1.00 0.00 C ATOM 925 NE ARG A 59 13.288 -0.545 -3.054 1.00 0.00 N ATOM 926 CZ ARG A 59 13.937 -0.076 -4.113 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.392 -0.158 -5.319 1.00 0.00 N ATOM 928 NH2 ARG A 59 15.134 0.478 -3.968 1.00 0.00 N ATOM 0 H ARG A 59 8.901 0.925 -5.078 1.00 0.00 H new ATOM 0 HA ARG A 59 9.879 2.332 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.129 0.669 -5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.112 1.426 -3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.741 0.223 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.905 -0.613 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.857 -1.875 -2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.888 -1.741 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 59 13.735 -0.465 -2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.472 -0.582 -5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.893 0.203 -6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.557 0.544 -3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.631 0.838 -4.783 1.00 0.00 H new