USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 288 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0748 K(o=-0.075,f=-0.6) USER MOD Single : A 37 SER OG : rot 106:sc= 0.978 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0.0289 USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.102 (180deg=-0.62) USER MOD Single : A 45 ASN : amide:sc= -5.11! C(o=-5.1!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 191 N TYR A 13 -4.477 -17.514 3.498 1.00 0.00 N ATOM 192 CA TYR A 13 -4.499 -16.054 3.516 1.00 0.00 C ATOM 193 C TYR A 13 -4.066 -15.492 2.167 1.00 0.00 C ATOM 194 O TYR A 13 -3.452 -14.430 2.101 1.00 0.00 O ATOM 195 CB TYR A 13 -3.554 -15.531 4.599 1.00 0.00 C ATOM 196 CG TYR A 13 -4.074 -15.913 5.963 1.00 0.00 C ATOM 197 CD1 TYR A 13 -4.029 -17.249 6.380 1.00 0.00 C ATOM 198 CD2 TYR A 13 -4.598 -14.932 6.815 1.00 0.00 C ATOM 199 CE1 TYR A 13 -4.507 -17.603 7.648 1.00 0.00 C ATOM 200 CE2 TYR A 13 -5.077 -15.286 8.082 1.00 0.00 C ATOM 201 CZ TYR A 13 -5.032 -16.622 8.499 1.00 0.00 C ATOM 202 OH TYR A 13 -5.502 -16.971 9.748 1.00 0.00 O ATOM 0 HA TYR A 13 -5.519 -15.732 3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.556 -15.943 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.466 -14.447 4.524 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.626 -18.006 5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.632 -13.901 6.494 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.471 -18.633 7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.481 -14.529 8.738 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.830 -16.171 10.209 1.00 0.00 H new ATOM 212 N GLN A 14 -4.372 -16.216 1.095 1.00 0.00 N ATOM 213 CA GLN A 14 -3.989 -15.781 -0.245 1.00 0.00 C ATOM 214 C GLN A 14 -4.430 -14.343 -0.513 1.00 0.00 C ATOM 215 O GLN A 14 -3.631 -13.512 -0.942 1.00 0.00 O ATOM 216 CB GLN A 14 -4.618 -16.700 -1.291 1.00 0.00 C ATOM 217 CG GLN A 14 -4.141 -18.137 -1.065 1.00 0.00 C ATOM 218 CD GLN A 14 -4.879 -19.082 -2.007 1.00 0.00 C ATOM 219 OE1 GLN A 14 -5.943 -18.739 -2.522 1.00 0.00 O ATOM 220 NE2 GLN A 14 -4.375 -20.257 -2.264 1.00 0.00 N ATOM 0 H GLN A 14 -4.880 -17.100 1.126 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.902 -15.828 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.705 -16.652 -1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.344 -16.369 -2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.067 -18.204 -1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.318 -18.430 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.493 -20.538 -1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.863 -20.895 -2.893 1.00 0.00 H new ATOM 229 N SER A 15 -5.705 -14.059 -0.272 1.00 0.00 N ATOM 230 CA SER A 15 -6.237 -12.721 -0.507 1.00 0.00 C ATOM 231 C SER A 15 -5.968 -11.797 0.680 1.00 0.00 C ATOM 232 O SER A 15 -5.809 -10.587 0.513 1.00 0.00 O ATOM 233 CB SER A 15 -7.741 -12.804 -0.758 1.00 0.00 C ATOM 234 OG SER A 15 -8.237 -11.508 -1.066 1.00 0.00 O ATOM 0 H SER A 15 -6.385 -14.731 0.083 1.00 0.00 H new ATOM 0 HA SER A 15 -5.735 -12.306 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.947 -13.490 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.247 -13.200 0.122 1.00 0.00 H new ATOM 0 HG SER A 15 -9.202 -11.557 -1.229 1.00 0.00 H new ATOM 240 N LEU A 16 -5.929 -12.372 1.877 1.00 0.00 N ATOM 241 CA LEU A 16 -5.692 -11.590 3.089 1.00 0.00 C ATOM 242 C LEU A 16 -4.207 -11.284 3.265 1.00 0.00 C ATOM 243 O LEU A 16 -3.826 -10.496 4.132 1.00 0.00 O ATOM 244 CB LEU A 16 -6.210 -12.362 4.305 1.00 0.00 C ATOM 245 CG LEU A 16 -7.670 -12.756 4.067 1.00 0.00 C ATOM 246 CD1 LEU A 16 -8.180 -13.584 5.246 1.00 0.00 C ATOM 247 CD2 LEU A 16 -8.531 -11.498 3.921 1.00 0.00 C ATOM 0 H LEU A 16 -6.057 -13.371 2.036 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.225 -10.644 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.603 -13.252 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.128 -11.748 5.202 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.734 -13.346 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.220 -13.862 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.575 -14.485 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.110 -12.996 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.569 -11.785 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.463 -10.903 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.175 -10.909 3.075 1.00 0.00 H new ATOM 259 N GLN A 17 -3.374 -11.909 2.444 1.00 0.00 N ATOM 260 CA GLN A 17 -1.934 -11.693 2.523 1.00 0.00 C ATOM 261 C GLN A 17 -1.565 -10.298 2.034 1.00 0.00 C ATOM 262 O GLN A 17 -0.819 -9.575 2.694 1.00 0.00 O ATOM 263 CB GLN A 17 -1.201 -12.732 1.670 1.00 0.00 C ATOM 264 CG GLN A 17 -0.684 -13.864 2.561 1.00 0.00 C ATOM 265 CD GLN A 17 0.584 -13.416 3.279 1.00 0.00 C ATOM 266 OE1 GLN A 17 1.473 -12.828 2.663 1.00 0.00 O ATOM 267 NE2 GLN A 17 0.723 -13.660 4.555 1.00 0.00 N ATOM 0 H GLN A 17 -3.667 -12.565 1.720 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.636 -11.793 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.873 -13.132 0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.370 -12.263 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.446 -14.144 3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.479 -14.749 1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.014 -14.147 5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.569 -13.363 5.042 1.00 0.00 H new ATOM 276 N ILE A 18 -2.081 -9.930 0.867 1.00 0.00 N ATOM 277 CA ILE A 18 -1.786 -8.624 0.287 1.00 0.00 C ATOM 278 C ILE A 18 -2.890 -7.616 0.613 1.00 0.00 C ATOM 279 O ILE A 18 -2.773 -6.431 0.304 1.00 0.00 O ATOM 280 CB ILE A 18 -1.646 -8.766 -1.232 1.00 0.00 C ATOM 281 CG1 ILE A 18 -0.799 -10.006 -1.553 1.00 0.00 C ATOM 282 CG2 ILE A 18 -0.976 -7.521 -1.832 1.00 0.00 C ATOM 283 CD1 ILE A 18 0.528 -9.961 -0.780 1.00 0.00 C ATOM 0 H ILE A 18 -2.702 -10.513 0.306 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.853 -8.255 0.714 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.640 -8.872 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.350 -10.909 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.602 -10.053 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.886 -7.641 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.582 -6.641 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.015 -7.396 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.118 -10.846 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.084 -9.068 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.325 -9.937 0.291 1.00 0.00 H new ATOM 295 N GLY A 19 -3.962 -8.095 1.233 1.00 0.00 N ATOM 296 CA GLY A 19 -5.082 -7.226 1.583 1.00 0.00 C ATOM 297 C GLY A 19 -4.620 -5.989 2.352 1.00 0.00 C ATOM 298 O GLY A 19 -4.221 -4.987 1.759 1.00 0.00 O ATOM 0 H GLY A 19 -4.081 -9.072 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.600 -6.917 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.799 -7.782 2.186 1.00 0.00 H new ATOM 302 N GLY A 20 -4.696 -6.065 3.676 1.00 0.00 N ATOM 303 CA GLY A 20 -4.304 -4.950 4.534 1.00 0.00 C ATOM 304 C GLY A 20 -3.073 -4.216 4.003 1.00 0.00 C ATOM 305 O GLY A 20 -2.924 -3.012 4.211 1.00 0.00 O ATOM 0 H GLY A 20 -5.026 -6.888 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.135 -4.249 4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.098 -5.322 5.538 1.00 0.00 H new ATOM 309 N LEU A 21 -2.187 -4.941 3.333 1.00 0.00 N ATOM 310 CA LEU A 21 -0.969 -4.337 2.801 1.00 0.00 C ATOM 311 C LEU A 21 -1.287 -3.244 1.782 1.00 0.00 C ATOM 312 O LEU A 21 -0.776 -2.127 1.878 1.00 0.00 O ATOM 313 CB LEU A 21 -0.110 -5.411 2.136 1.00 0.00 C ATOM 314 CG LEU A 21 0.978 -5.881 3.104 1.00 0.00 C ATOM 315 CD1 LEU A 21 0.331 -6.399 4.391 1.00 0.00 C ATOM 316 CD2 LEU A 21 1.786 -7.007 2.451 1.00 0.00 C ATOM 0 H LEU A 21 -2.285 -5.939 3.145 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.428 -3.885 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.733 -6.254 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.345 -5.015 1.228 1.00 0.00 H new ATOM 0 HG LEU A 21 1.638 -5.047 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.107 -6.733 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.246 -5.599 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.329 -7.234 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.562 -7.344 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.124 -7.840 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.248 -6.639 1.535 1.00 0.00 H new ATOM 328 N VAL A 22 -2.121 -3.575 0.802 1.00 0.00 N ATOM 329 CA VAL A 22 -2.481 -2.615 -0.238 1.00 0.00 C ATOM 330 C VAL A 22 -3.334 -1.482 0.324 1.00 0.00 C ATOM 331 O VAL A 22 -3.105 -0.315 0.014 1.00 0.00 O ATOM 332 CB VAL A 22 -3.241 -3.323 -1.363 1.00 0.00 C ATOM 333 CG1 VAL A 22 -3.582 -2.315 -2.464 1.00 0.00 C ATOM 334 CG2 VAL A 22 -2.363 -4.432 -1.944 1.00 0.00 C ATOM 0 H VAL A 22 -2.558 -4.492 0.705 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.560 -2.186 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.162 -3.752 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.123 -2.820 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.204 -1.521 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.662 -1.886 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.900 -4.939 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.444 -3.999 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.118 -5.150 -1.161 1.00 0.00 H new ATOM 344 N ILE A 23 -4.323 -1.828 1.140 1.00 0.00 N ATOM 345 CA ILE A 23 -5.205 -0.819 1.718 1.00 0.00 C ATOM 346 C ILE A 23 -4.432 0.142 2.616 1.00 0.00 C ATOM 347 O ILE A 23 -4.604 1.360 2.531 1.00 0.00 O ATOM 348 CB ILE A 23 -6.308 -1.499 2.529 1.00 0.00 C ATOM 349 CG1 ILE A 23 -6.872 -2.688 1.741 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.426 -0.495 2.811 1.00 0.00 C ATOM 351 CD1 ILE A 23 -7.207 -2.256 0.313 1.00 0.00 C ATOM 0 H ILE A 23 -4.534 -2.788 1.414 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.645 -0.247 0.901 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.894 -1.857 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.146 -3.501 1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.766 -3.070 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.213 -0.979 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.025 0.346 3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.838 -0.135 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.607 -3.106 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.949 -1.458 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.304 -1.895 -0.179 1.00 0.00 H new ATOM 363 N ALA A 24 -3.585 -0.406 3.479 1.00 0.00 N ATOM 364 CA ALA A 24 -2.800 0.420 4.390 1.00 0.00 C ATOM 365 C ALA A 24 -1.949 1.423 3.617 1.00 0.00 C ATOM 366 O ALA A 24 -1.861 2.593 3.992 1.00 0.00 O ATOM 367 CB ALA A 24 -1.894 -0.467 5.246 1.00 0.00 C ATOM 0 H ALA A 24 -3.424 -1.409 3.568 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.488 0.969 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.311 0.156 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.505 -1.160 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.220 -1.030 4.600 1.00 0.00 H new ATOM 373 N GLY A 25 -1.326 0.960 2.539 1.00 0.00 N ATOM 374 CA GLY A 25 -0.484 1.828 1.725 1.00 0.00 C ATOM 375 C GLY A 25 -1.289 2.976 1.126 1.00 0.00 C ATOM 376 O GLY A 25 -0.799 4.099 1.022 1.00 0.00 O ATOM 0 H GLY A 25 -1.387 -0.004 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.326 2.228 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.024 1.247 0.925 1.00 0.00 H new ATOM 380 N ILE A 26 -2.521 2.685 0.721 1.00 0.00 N ATOM 381 CA ILE A 26 -3.380 3.701 0.120 1.00 0.00 C ATOM 382 C ILE A 26 -3.681 4.836 1.098 1.00 0.00 C ATOM 383 O ILE A 26 -3.661 6.008 0.720 1.00 0.00 O ATOM 384 CB ILE A 26 -4.691 3.069 -0.347 1.00 0.00 C ATOM 385 CG1 ILE A 26 -4.417 2.176 -1.557 1.00 0.00 C ATOM 386 CG2 ILE A 26 -5.681 4.168 -0.743 1.00 0.00 C ATOM 387 CD1 ILE A 26 -5.640 1.301 -1.829 1.00 0.00 C ATOM 0 H ILE A 26 -2.946 1.761 0.797 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.847 4.120 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.115 2.475 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.192 2.788 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.543 1.551 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.615 3.714 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.875 4.810 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.259 4.764 -1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.447 0.663 -2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.844 0.680 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.503 1.935 -2.033 1.00 0.00 H new ATOM 399 N LEU A 27 -3.974 4.491 2.349 1.00 0.00 N ATOM 400 CA LEU A 27 -4.291 5.509 3.350 1.00 0.00 C ATOM 401 C LEU A 27 -3.084 6.411 3.605 1.00 0.00 C ATOM 402 O LEU A 27 -3.207 7.632 3.612 1.00 0.00 O ATOM 403 CB LEU A 27 -4.738 4.841 4.656 1.00 0.00 C ATOM 404 CG LEU A 27 -5.245 5.901 5.649 1.00 0.00 C ATOM 405 CD1 LEU A 27 -6.507 6.585 5.109 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.575 5.224 6.981 1.00 0.00 C ATOM 0 H LEU A 27 -3.999 3.531 2.692 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.105 6.126 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.527 4.117 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.906 4.290 5.094 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.468 6.652 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.851 7.331 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.280 7.070 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.288 5.840 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.935 5.970 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.347 4.470 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.679 4.748 7.379 1.00 0.00 H new ATOM 418 N PHE A 28 -1.920 5.800 3.804 1.00 0.00 N ATOM 419 CA PHE A 28 -0.689 6.548 4.042 1.00 0.00 C ATOM 420 C PHE A 28 -0.287 7.319 2.788 1.00 0.00 C ATOM 421 O PHE A 28 0.224 8.429 2.875 1.00 0.00 O ATOM 422 CB PHE A 28 0.446 5.598 4.442 1.00 0.00 C ATOM 423 CG PHE A 28 0.396 5.346 5.932 1.00 0.00 C ATOM 424 CD1 PHE A 28 -0.768 4.828 6.509 1.00 0.00 C ATOM 425 CD2 PHE A 28 1.511 5.628 6.736 1.00 0.00 C ATOM 426 CE1 PHE A 28 -0.821 4.592 7.888 1.00 0.00 C ATOM 427 CE2 PHE A 28 1.456 5.393 8.115 1.00 0.00 C ATOM 428 CZ PHE A 28 0.291 4.875 8.691 1.00 0.00 C ATOM 0 H PHE A 28 -1.803 4.787 3.805 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.869 7.252 4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.353 4.657 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.409 6.030 4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.626 4.610 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.411 6.026 6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.720 4.191 8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.313 5.612 8.734 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.249 4.693 9.755 1.00 0.00 H new ATOM 438 N ILE A 29 -0.522 6.719 1.624 1.00 0.00 N ATOM 439 CA ILE A 29 -0.185 7.363 0.354 1.00 0.00 C ATOM 440 C ILE A 29 -1.066 8.585 0.157 1.00 0.00 C ATOM 441 O ILE A 29 -0.582 9.663 -0.183 1.00 0.00 O ATOM 442 CB ILE A 29 -0.365 6.385 -0.806 1.00 0.00 C ATOM 443 CG1 ILE A 29 0.875 5.492 -0.898 1.00 0.00 C ATOM 444 CG2 ILE A 29 -0.538 7.162 -2.114 1.00 0.00 C ATOM 445 CD1 ILE A 29 0.601 4.322 -1.841 1.00 0.00 C ATOM 0 H ILE A 29 -0.942 5.794 1.532 1.00 0.00 H new ATOM 0 HA ILE A 29 0.860 7.674 0.378 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.250 5.772 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.725 6.071 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.140 5.119 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.666 6.461 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.416 7.803 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.345 7.775 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.487 3.690 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.237 3.737 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.357 4.703 -2.833 1.00 0.00 H new ATOM 457 N LEU A 30 -2.348 8.431 0.457 1.00 0.00 N ATOM 458 CA LEU A 30 -3.261 9.539 0.400 1.00 0.00 C ATOM 459 C LEU A 30 -2.774 10.476 1.462 1.00 0.00 C ATOM 460 O LEU A 30 -2.852 11.693 1.349 1.00 0.00 O ATOM 461 CB LEU A 30 -4.698 9.091 0.699 1.00 0.00 C ATOM 462 CG LEU A 30 -5.522 9.081 -0.591 1.00 0.00 C ATOM 463 CD1 LEU A 30 -6.777 8.229 -0.389 1.00 0.00 C ATOM 464 CD2 LEU A 30 -5.932 10.513 -0.945 1.00 0.00 C ATOM 0 H LEU A 30 -2.769 7.546 0.741 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.286 9.997 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.692 8.096 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.154 9.763 1.426 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.924 8.662 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.364 8.222 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.488 7.209 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.375 8.648 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.519 10.507 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.530 10.931 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.040 11.122 -1.089 1.00 0.00 H new ATOM 476 N GLY A 31 -2.263 9.845 2.510 1.00 0.00 N ATOM 477 CA GLY A 31 -1.732 10.570 3.660 1.00 0.00 C ATOM 478 C GLY A 31 -0.612 11.531 3.253 1.00 0.00 C ATOM 479 O GLY A 31 -0.636 12.708 3.610 1.00 0.00 O ATOM 0 H GLY A 31 -2.204 8.830 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.535 11.129 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.353 9.860 4.395 1.00 0.00 H new ATOM 483 N ILE A 32 0.379 11.020 2.522 1.00 0.00 N ATOM 484 CA ILE A 32 1.508 11.844 2.094 1.00 0.00 C ATOM 485 C ILE A 32 1.069 12.918 1.103 1.00 0.00 C ATOM 486 O ILE A 32 1.475 14.075 1.214 1.00 0.00 O ATOM 487 CB ILE A 32 2.582 10.963 1.449 1.00 0.00 C ATOM 488 CG1 ILE A 32 3.133 9.985 2.489 1.00 0.00 C ATOM 489 CG2 ILE A 32 3.723 11.841 0.927 1.00 0.00 C ATOM 490 CD1 ILE A 32 3.895 8.862 1.784 1.00 0.00 C ATOM 0 H ILE A 32 0.423 10.048 2.216 1.00 0.00 H new ATOM 0 HA ILE A 32 1.915 12.338 2.976 1.00 0.00 H new ATOM 0 HB ILE A 32 2.142 10.408 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.794 10.508 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.317 9.569 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.486 11.212 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.335 12.539 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.162 12.398 1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.287 8.166 2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.221 8.332 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.721 9.286 1.212 1.00 0.00 H new ATOM 502 N LEU A 33 0.242 12.535 0.135 1.00 0.00 N ATOM 503 CA LEU A 33 -0.234 13.488 -0.866 1.00 0.00 C ATOM 504 C LEU A 33 -1.100 14.554 -0.208 1.00 0.00 C ATOM 505 O LEU A 33 -0.973 15.743 -0.497 1.00 0.00 O ATOM 506 CB LEU A 33 -1.051 12.760 -1.938 1.00 0.00 C ATOM 507 CG LEU A 33 -0.180 11.719 -2.653 1.00 0.00 C ATOM 508 CD1 LEU A 33 -1.038 10.951 -3.659 1.00 0.00 C ATOM 509 CD2 LEU A 33 0.969 12.410 -3.399 1.00 0.00 C ATOM 0 H LEU A 33 -0.110 11.584 0.021 1.00 0.00 H new ATOM 0 HA LEU A 33 0.630 13.963 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.912 12.272 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.439 13.478 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 33 0.235 11.035 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.424 10.210 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.852 10.449 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.451 11.646 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.579 11.660 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.561 13.100 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.585 12.962 -2.688 1.00 0.00 H new ATOM 521 N ILE A 34 -1.984 14.113 0.675 1.00 0.00 N ATOM 522 CA ILE A 34 -2.883 15.030 1.374 1.00 0.00 C ATOM 523 C ILE A 34 -2.105 16.048 2.201 1.00 0.00 C ATOM 524 O ILE A 34 -2.407 17.240 2.172 1.00 0.00 O ATOM 525 CB ILE A 34 -3.817 14.251 2.300 1.00 0.00 C ATOM 526 CG1 ILE A 34 -4.933 13.603 1.479 1.00 0.00 C ATOM 527 CG2 ILE A 34 -4.432 15.207 3.325 1.00 0.00 C ATOM 528 CD1 ILE A 34 -5.597 12.499 2.304 1.00 0.00 C ATOM 0 H ILE A 34 -2.101 13.131 0.926 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.463 15.559 0.618 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.250 13.476 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.671 14.352 1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.527 13.188 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.098 14.652 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.639 15.669 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.997 15.982 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.393 12.037 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.855 11.745 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.017 12.928 3.214 1.00 0.00 H new ATOM 540 N VAL A 35 -1.116 15.575 2.952 1.00 0.00 N ATOM 541 CA VAL A 35 -0.323 16.465 3.793 1.00 0.00 C ATOM 542 C VAL A 35 0.307 17.578 2.964 1.00 0.00 C ATOM 543 O VAL A 35 0.166 18.758 3.285 1.00 0.00 O ATOM 544 CB VAL A 35 0.777 15.667 4.497 1.00 0.00 C ATOM 545 CG1 VAL A 35 1.780 16.631 5.133 1.00 0.00 C ATOM 546 CG2 VAL A 35 0.156 14.788 5.585 1.00 0.00 C ATOM 0 H VAL A 35 -0.846 14.592 2.996 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.983 16.915 4.534 1.00 0.00 H new ATOM 0 HB VAL A 35 1.289 15.037 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.563 16.063 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.224 17.257 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.268 17.262 5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.940 14.220 6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.357 15.417 6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.558 14.100 5.133 1.00 0.00 H new ATOM 556 N LEU A 36 1.000 17.198 1.898 1.00 0.00 N ATOM 557 CA LEU A 36 1.647 18.175 1.028 1.00 0.00 C ATOM 558 C LEU A 36 0.613 19.033 0.301 1.00 0.00 C ATOM 559 O LEU A 36 0.841 20.217 0.049 1.00 0.00 O ATOM 560 CB LEU A 36 2.527 17.451 0.004 1.00 0.00 C ATOM 561 CG LEU A 36 3.559 16.581 0.731 1.00 0.00 C ATOM 562 CD1 LEU A 36 4.381 15.801 -0.293 1.00 0.00 C ATOM 563 CD2 LEU A 36 4.498 17.461 1.566 1.00 0.00 C ATOM 0 H LEU A 36 1.129 16.227 1.615 1.00 0.00 H new ATOM 0 HA LEU A 36 2.262 18.829 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.910 16.832 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.033 18.177 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 36 3.035 15.889 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.115 15.183 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.720 15.164 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.896 16.499 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.227 16.832 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.018 18.161 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.917 18.016 2.302 1.00 0.00 H new ATOM 575 N SER A 37 -0.518 18.426 -0.043 1.00 0.00 N ATOM 576 CA SER A 37 -1.578 19.136 -0.753 1.00 0.00 C ATOM 577 C SER A 37 -2.112 20.309 0.066 1.00 0.00 C ATOM 578 O SER A 37 -2.476 21.346 -0.488 1.00 0.00 O ATOM 579 CB SER A 37 -2.725 18.179 -1.072 1.00 0.00 C ATOM 580 OG SER A 37 -2.261 17.169 -1.959 1.00 0.00 O ATOM 0 H SER A 37 -0.725 17.447 0.157 1.00 0.00 H new ATOM 0 HA SER A 37 -1.153 19.527 -1.677 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.103 17.728 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.554 18.724 -1.524 1.00 0.00 H new ATOM 0 HG SER A 37 -2.151 16.328 -1.468 1.00 0.00 H new ATOM 586 N ARG A 38 -2.170 20.137 1.383 1.00 0.00 N ATOM 587 CA ARG A 38 -2.680 21.190 2.256 1.00 0.00 C ATOM 588 C ARG A 38 -1.883 22.481 2.081 1.00 0.00 C ATOM 589 O ARG A 38 -2.435 23.577 2.174 1.00 0.00 O ATOM 590 CB ARG A 38 -2.606 20.740 3.720 1.00 0.00 C ATOM 591 CG ARG A 38 -3.498 19.514 3.936 1.00 0.00 C ATOM 592 CD ARG A 38 -4.459 19.786 5.095 1.00 0.00 C ATOM 593 NE ARG A 38 -5.242 18.594 5.399 1.00 0.00 N ATOM 594 CZ ARG A 38 -6.358 18.672 6.119 1.00 0.00 C ATOM 595 NH1 ARG A 38 -6.765 19.830 6.566 1.00 0.00 N ATOM 596 NH2 ARG A 38 -7.045 17.594 6.379 1.00 0.00 N ATOM 0 H ARG A 38 -1.874 19.289 1.866 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.718 21.381 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.576 20.502 3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.924 21.551 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.059 19.293 3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.886 18.639 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.897 20.094 5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.125 20.610 4.838 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.929 17.686 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.227 20.673 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.620 19.892 7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.727 16.690 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.900 17.655 6.931 1.00 0.00 H new ATOM 610 N ARG A 39 -0.585 22.345 1.832 1.00 0.00 N ATOM 611 CA ARG A 39 0.272 23.513 1.651 1.00 0.00 C ATOM 612 C ARG A 39 -0.185 24.341 0.455 1.00 0.00 C ATOM 613 O ARG A 39 -0.014 25.561 0.430 1.00 0.00 O ATOM 614 CB ARG A 39 1.720 23.070 1.435 1.00 0.00 C ATOM 615 CG ARG A 39 2.651 24.273 1.601 1.00 0.00 C ATOM 616 CD ARG A 39 3.157 24.327 3.043 1.00 0.00 C ATOM 617 NE ARG A 39 4.250 23.379 3.227 1.00 0.00 N ATOM 618 CZ ARG A 39 4.942 23.339 4.361 1.00 0.00 C ATOM 619 NH1 ARG A 39 4.646 24.156 5.334 1.00 0.00 N ATOM 620 NH2 ARG A 39 5.916 22.482 4.501 1.00 0.00 N ATOM 0 H ARG A 39 -0.106 21.448 1.751 1.00 0.00 H new ATOM 0 HA ARG A 39 0.205 24.126 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.984 22.291 2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.836 22.641 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.492 24.194 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.122 25.193 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.496 25.335 3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.344 24.094 3.731 1.00 0.00 H new ATOM 0 HE ARG A 39 4.487 22.735 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.884 24.825 5.224 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.177 24.126 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.146 21.843 3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.447 22.451 5.371 1.00 0.00 H new ATOM 634 N CYS A 40 -0.757 23.670 -0.537 1.00 0.00 N ATOM 635 CA CYS A 40 -1.226 24.353 -1.739 1.00 0.00 C ATOM 636 C CYS A 40 -2.246 25.432 -1.394 1.00 0.00 C ATOM 637 O CYS A 40 -2.176 26.549 -1.905 1.00 0.00 O ATOM 638 CB CYS A 40 -1.859 23.343 -2.696 1.00 0.00 C ATOM 639 SG CYS A 40 -1.464 23.801 -4.403 1.00 0.00 S ATOM 0 H CYS A 40 -0.907 22.661 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.368 24.827 -2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.488 22.341 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.940 23.320 -2.555 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.000 22.942 -5.218 1.00 0.00 H new ATOM 645 N ARG A 41 -3.196 25.092 -0.531 1.00 0.00 N ATOM 646 CA ARG A 41 -4.226 26.044 -0.139 1.00 0.00 C ATOM 647 C ARG A 41 -3.608 27.322 0.423 1.00 0.00 C ATOM 648 O ARG A 41 -4.052 28.425 0.107 1.00 0.00 O ATOM 649 CB ARG A 41 -5.145 25.418 0.913 1.00 0.00 C ATOM 650 CG ARG A 41 -6.347 26.336 1.150 1.00 0.00 C ATOM 651 CD ARG A 41 -7.249 25.734 2.228 1.00 0.00 C ATOM 652 NE ARG A 41 -8.352 26.640 2.526 1.00 0.00 N ATOM 653 CZ ARG A 41 -8.153 27.766 3.203 1.00 0.00 C ATOM 654 NH1 ARG A 41 -6.951 28.079 3.608 1.00 0.00 N ATOM 655 NH2 ARG A 41 -9.157 28.560 3.461 1.00 0.00 N ATOM 0 H ARG A 41 -3.274 24.174 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.804 26.299 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.483 24.437 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.600 25.267 1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.007 27.325 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.907 26.465 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.639 24.773 1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.670 25.544 3.132 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.293 26.405 2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.167 27.459 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.797 28.943 4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.095 28.316 3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.003 29.424 3.981 1.00 0.00 H new ATOM 669 N CYS A 42 -2.588 27.169 1.263 1.00 0.00 N ATOM 670 CA CYS A 42 -1.931 28.326 1.869 1.00 0.00 C ATOM 671 C CYS A 42 -0.959 28.991 0.895 1.00 0.00 C ATOM 672 O CYS A 42 -0.759 30.205 0.939 1.00 0.00 O ATOM 673 CB CYS A 42 -1.174 27.900 3.128 1.00 0.00 C ATOM 674 SG CYS A 42 -1.599 26.191 3.544 1.00 0.00 S ATOM 0 H CYS A 42 -2.201 26.266 1.538 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.706 29.047 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.100 27.989 2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.427 28.560 3.957 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.953 25.831 4.613 1.00 0.00 H new ATOM 680 N LYS A 43 -0.340 28.195 0.035 1.00 0.00 N ATOM 681 CA LYS A 43 0.623 28.733 -0.922 1.00 0.00 C ATOM 682 C LYS A 43 -0.069 29.499 -2.051 1.00 0.00 C ATOM 683 O LYS A 43 0.490 30.451 -2.595 1.00 0.00 O ATOM 684 CB LYS A 43 1.461 27.602 -1.523 1.00 0.00 C ATOM 685 CG LYS A 43 2.672 28.197 -2.246 1.00 0.00 C ATOM 686 CD LYS A 43 3.411 27.094 -3.006 1.00 0.00 C ATOM 687 CE LYS A 43 2.903 27.040 -4.450 1.00 0.00 C ATOM 688 NZ LYS A 43 3.343 28.263 -5.180 1.00 0.00 N ATOM 0 H LYS A 43 -0.483 27.187 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 43 1.267 29.425 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.790 26.921 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.859 27.018 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.349 28.975 -2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.342 28.668 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.484 27.285 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.253 26.132 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.286 26.149 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.815 26.969 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.469 28.039 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.623 29.006 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.245 28.598 -4.784 1.00 0.00 H new ATOM 702 N PHE A 44 -1.273 29.067 -2.421 1.00 0.00 N ATOM 703 CA PHE A 44 -2.006 29.712 -3.511 1.00 0.00 C ATOM 704 C PHE A 44 -2.406 31.140 -3.164 1.00 0.00 C ATOM 705 O PHE A 44 -2.207 32.056 -3.962 1.00 0.00 O ATOM 706 CB PHE A 44 -3.267 28.914 -3.832 1.00 0.00 C ATOM 707 CG PHE A 44 -4.358 29.865 -4.264 1.00 0.00 C ATOM 708 CD1 PHE A 44 -4.456 30.258 -5.604 1.00 0.00 C ATOM 709 CD2 PHE A 44 -5.270 30.358 -3.321 1.00 0.00 C ATOM 710 CE1 PHE A 44 -5.465 31.143 -6.002 1.00 0.00 C ATOM 711 CE2 PHE A 44 -6.278 31.244 -3.720 1.00 0.00 C ATOM 712 CZ PHE A 44 -6.376 31.637 -5.060 1.00 0.00 C ATOM 0 H PHE A 44 -1.759 28.281 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.341 29.741 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.064 28.191 -4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.587 28.348 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.753 29.878 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.195 30.055 -2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.541 31.445 -7.036 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.981 31.625 -2.993 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.154 32.321 -5.367 1.00 0.00 H new ATOM 722 N ASN A 45 -2.976 31.328 -1.981 1.00 0.00 N ATOM 723 CA ASN A 45 -3.403 32.659 -1.563 1.00 0.00 C ATOM 724 C ASN A 45 -2.195 33.522 -1.236 1.00 0.00 C ATOM 725 O ASN A 45 -1.748 33.577 -0.089 1.00 0.00 O ATOM 726 CB ASN A 45 -4.321 32.561 -0.341 1.00 0.00 C ATOM 727 CG ASN A 45 -4.152 31.207 0.333 1.00 0.00 C ATOM 728 OD1 ASN A 45 -3.030 30.786 0.602 1.00 0.00 O ATOM 729 ND2 ASN A 45 -5.205 30.493 0.623 1.00 0.00 N ATOM 0 H ASN A 45 -3.152 30.588 -1.301 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.954 33.120 -2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.087 33.359 0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.359 32.698 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.097 29.584 1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.136 30.844 0.399 1.00 0.00 H new