USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 393 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 16 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= -0.487 (180deg=-0.499) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= -0.122 (180deg=-0.759) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 8.502 0.756 -21.056 1.00 0.00 N ATOM 169 CA PHE A 14 9.328 -0.045 -20.160 1.00 0.00 C ATOM 170 C PHE A 14 8.463 -0.941 -19.279 1.00 0.00 C ATOM 171 O PHE A 14 7.280 -0.670 -19.071 1.00 0.00 O ATOM 172 CB PHE A 14 10.199 0.861 -19.287 1.00 0.00 C ATOM 173 CG PHE A 14 10.951 1.901 -20.067 1.00 0.00 C ATOM 174 CD1 PHE A 14 10.381 3.137 -20.327 1.00 0.00 C ATOM 175 CD2 PHE A 14 12.228 1.643 -20.540 1.00 0.00 C ATOM 176 CE1 PHE A 14 11.071 4.097 -21.044 1.00 0.00 C ATOM 177 CE2 PHE A 14 12.922 2.599 -21.256 1.00 0.00 C ATOM 178 CZ PHE A 14 12.343 3.827 -21.510 1.00 0.00 C ATOM 0 HA PHE A 14 9.973 -0.678 -20.770 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.568 1.357 -18.549 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.911 0.246 -18.736 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.386 3.353 -19.965 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.686 0.684 -20.347 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.616 5.057 -21.239 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.917 2.386 -21.617 1.00 0.00 H new ATOM 0 HZ PHE A 14 12.884 4.574 -22.072 1.00 0.00 H new ATOM 188 N ILE A 15 9.062 -2.010 -18.764 1.00 0.00 N ATOM 189 CA ILE A 15 8.347 -2.946 -17.904 1.00 0.00 C ATOM 190 C ILE A 15 9.163 -3.284 -16.661 1.00 0.00 C ATOM 191 O ILE A 15 10.302 -3.742 -16.757 1.00 0.00 O ATOM 192 CB ILE A 15 8.007 -4.249 -18.651 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.287 -5.225 -17.718 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.270 -4.881 -19.216 1.00 0.00 C ATOM 195 CD1 ILE A 15 6.905 -6.528 -18.384 1.00 0.00 C ATOM 0 H ILE A 15 10.040 -2.249 -18.927 1.00 0.00 H new ATOM 0 HA ILE A 15 7.421 -2.456 -17.605 1.00 0.00 H new ATOM 0 HB ILE A 15 7.341 -4.011 -19.481 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.929 -5.438 -16.863 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.387 -4.747 -17.330 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.013 -5.801 -19.741 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.745 -4.188 -19.910 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.959 -5.108 -18.402 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.399 -7.170 -17.663 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.238 -6.326 -19.222 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.803 -7.028 -18.748 1.00 0.00 H new ATOM 207 N THR A 16 8.572 -3.056 -15.492 1.00 0.00 N ATOM 208 CA THR A 16 9.242 -3.337 -14.229 1.00 0.00 C ATOM 209 C THR A 16 9.535 -4.825 -14.081 1.00 0.00 C ATOM 210 O THR A 16 8.914 -5.658 -14.740 1.00 0.00 O ATOM 211 CB THR A 16 8.398 -2.869 -13.029 1.00 0.00 C ATOM 212 OG1 THR A 16 8.993 -3.319 -11.806 1.00 0.00 O ATOM 213 CG2 THR A 16 6.975 -3.396 -13.130 1.00 0.00 C ATOM 0 H THR A 16 7.630 -2.677 -15.394 1.00 0.00 H new ATOM 0 HA THR A 16 10.181 -2.784 -14.240 1.00 0.00 H new ATOM 0 HB THR A 16 8.367 -1.779 -13.038 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.451 -3.016 -11.048 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.398 -3.052 -12.271 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.515 -3.028 -14.047 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.991 -4.486 -13.144 1.00 0.00 H new ATOM 221 N GLY A 17 10.484 -5.154 -13.210 1.00 0.00 N ATOM 222 CA GLY A 17 10.842 -6.543 -12.990 1.00 0.00 C ATOM 223 C GLY A 17 9.659 -7.384 -12.553 1.00 0.00 C ATOM 224 O GLY A 17 9.383 -8.432 -13.136 1.00 0.00 O ATOM 0 H GLY A 17 11.012 -4.483 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.259 -6.957 -13.908 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.623 -6.598 -12.232 1.00 0.00 H new ATOM 228 N VAL A 18 8.957 -6.924 -11.521 1.00 0.00 N ATOM 229 CA VAL A 18 7.798 -7.641 -11.005 1.00 0.00 C ATOM 230 C VAL A 18 6.815 -7.974 -12.122 1.00 0.00 C ATOM 231 O VAL A 18 6.105 -8.978 -12.059 1.00 0.00 O ATOM 232 CB VAL A 18 7.069 -6.824 -9.921 1.00 0.00 C ATOM 233 CG1 VAL A 18 6.433 -5.582 -10.526 1.00 0.00 C ATOM 234 CG2 VAL A 18 6.025 -7.681 -9.221 1.00 0.00 C ATOM 0 H VAL A 18 9.172 -6.058 -11.027 1.00 0.00 H new ATOM 0 HA VAL A 18 8.169 -8.566 -10.564 1.00 0.00 H new ATOM 0 HB VAL A 18 7.800 -6.503 -9.179 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.923 -5.018 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.206 -4.960 -10.977 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.713 -5.877 -11.290 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.520 -7.088 -8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.295 -8.033 -9.950 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.511 -8.537 -8.752 1.00 0.00 H new ATOM 244 N ARG A 19 6.780 -7.125 -13.144 1.00 0.00 N ATOM 245 CA ARG A 19 5.884 -7.328 -14.275 1.00 0.00 C ATOM 246 C ARG A 19 6.417 -8.417 -15.203 1.00 0.00 C ATOM 247 O ARG A 19 5.656 -9.238 -15.714 1.00 0.00 O ATOM 248 CB ARG A 19 5.706 -6.023 -15.053 1.00 0.00 C ATOM 249 CG ARG A 19 4.634 -5.112 -14.477 1.00 0.00 C ATOM 250 CD ARG A 19 3.238 -5.640 -14.768 1.00 0.00 C ATOM 251 NE ARG A 19 2.360 -5.537 -13.606 1.00 0.00 N ATOM 252 CZ ARG A 19 1.146 -6.072 -13.553 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.668 -6.744 -14.591 1.00 0.00 N ATOM 254 NH2 ARG A 19 0.406 -5.935 -12.459 1.00 0.00 N ATOM 0 H ARG A 19 7.362 -6.290 -13.212 1.00 0.00 H new ATOM 0 HA ARG A 19 4.917 -7.647 -13.887 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.655 -5.488 -15.070 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.454 -6.258 -16.087 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.773 -5.021 -13.400 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.741 -4.112 -14.897 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.806 -5.083 -15.599 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.303 -6.682 -15.082 1.00 0.00 H new ATOM 0 HE ARG A 19 2.698 -5.026 -12.790 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.233 -6.851 -15.433 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.265 -7.154 -14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.770 -5.418 -11.658 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.527 -6.346 -12.419 1.00 0.00 H new ATOM 268 N ALA A 20 7.729 -8.416 -15.415 1.00 0.00 N ATOM 269 CA ALA A 20 8.364 -9.403 -16.278 1.00 0.00 C ATOM 270 C ALA A 20 8.398 -10.775 -15.612 1.00 0.00 C ATOM 271 O ALA A 20 8.340 -11.804 -16.285 1.00 0.00 O ATOM 272 CB ALA A 20 9.771 -8.957 -16.645 1.00 0.00 C ATOM 0 H ALA A 20 8.373 -7.742 -15.000 1.00 0.00 H new ATOM 0 HA ALA A 20 7.772 -9.486 -17.190 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.233 -9.704 -17.290 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.725 -8.003 -17.170 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.365 -8.844 -15.738 1.00 0.00 H new ATOM 278 N ILE A 21 8.494 -10.781 -14.287 1.00 0.00 N ATOM 279 CA ILE A 21 8.536 -12.026 -13.530 1.00 0.00 C ATOM 280 C ILE A 21 7.172 -12.709 -13.519 1.00 0.00 C ATOM 281 O ILE A 21 7.077 -13.925 -13.361 1.00 0.00 O ATOM 282 CB ILE A 21 8.989 -11.787 -12.078 1.00 0.00 C ATOM 283 CG1 ILE A 21 10.380 -11.150 -12.053 1.00 0.00 C ATOM 284 CG2 ILE A 21 8.987 -13.095 -11.301 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.682 -10.408 -10.770 1.00 0.00 C ATOM 0 H ILE A 21 8.544 -9.938 -13.715 1.00 0.00 H new ATOM 0 HA ILE A 21 9.260 -12.673 -14.026 1.00 0.00 H new ATOM 0 HB ILE A 21 8.287 -11.102 -11.602 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.130 -11.928 -12.198 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.470 -10.460 -12.892 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.309 -12.910 -10.276 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.980 -13.513 -11.295 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.670 -13.800 -11.774 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.684 -9.983 -10.823 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.955 -9.608 -10.633 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.625 -11.098 -9.928 1.00 0.00 H new ATOM 297 N ASN A 22 6.119 -11.916 -13.690 1.00 0.00 N ATOM 298 CA ASN A 22 4.759 -12.445 -13.701 1.00 0.00 C ATOM 299 C ASN A 22 4.315 -12.774 -15.123 1.00 0.00 C ATOM 300 O ASN A 22 3.458 -13.631 -15.333 1.00 0.00 O ATOM 301 CB ASN A 22 3.793 -11.438 -13.074 1.00 0.00 C ATOM 302 CG ASN A 22 3.974 -11.322 -11.572 1.00 0.00 C ATOM 303 OD1 ASN A 22 4.881 -11.923 -10.997 1.00 0.00 O ATOM 304 ND2 ASN A 22 3.108 -10.547 -10.930 1.00 0.00 N ATOM 0 H ASN A 22 6.181 -10.907 -13.823 1.00 0.00 H new ATOM 0 HA ASN A 22 4.748 -13.363 -13.114 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.943 -10.460 -13.532 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.768 -11.738 -13.292 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.179 -10.431 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.371 -10.067 -11.448 1.00 0.00 H new ATOM 311 N GLU A 23 4.906 -12.086 -16.096 1.00 0.00 N ATOM 312 CA GLU A 23 4.570 -12.306 -17.498 1.00 0.00 C ATOM 313 C GLU A 23 5.460 -13.385 -18.108 1.00 0.00 C ATOM 314 O GLU A 23 4.975 -14.416 -18.573 1.00 0.00 O ATOM 315 CB GLU A 23 4.713 -11.004 -18.289 1.00 0.00 C ATOM 316 CG GLU A 23 3.603 -10.003 -18.019 1.00 0.00 C ATOM 317 CD GLU A 23 3.325 -9.106 -19.210 1.00 0.00 C ATOM 318 OE1 GLU A 23 3.471 -9.578 -20.356 1.00 0.00 O ATOM 319 OE2 GLU A 23 2.959 -7.931 -18.994 1.00 0.00 O ATOM 0 H GLU A 23 5.618 -11.373 -15.939 1.00 0.00 H new ATOM 0 HA GLU A 23 3.534 -12.642 -17.549 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.672 -10.545 -18.047 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.731 -11.236 -19.354 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.692 -10.539 -17.752 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.874 -9.388 -17.161 1.00 0.00 H new ATOM 326 N PHE A 24 6.766 -13.140 -18.102 1.00 0.00 N ATOM 327 CA PHE A 24 7.725 -14.089 -18.655 1.00 0.00 C ATOM 328 C PHE A 24 7.886 -15.297 -17.737 1.00 0.00 C ATOM 329 O PHE A 24 8.407 -16.336 -18.146 1.00 0.00 O ATOM 330 CB PHE A 24 9.081 -13.412 -18.868 1.00 0.00 C ATOM 331 CG PHE A 24 9.045 -12.303 -19.880 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.533 -11.059 -19.547 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.523 -12.504 -21.165 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.498 -10.038 -20.478 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.491 -11.486 -22.100 1.00 0.00 C ATOM 336 CZ PHE A 24 8.979 -10.251 -21.755 1.00 0.00 C ATOM 0 H PHE A 24 7.185 -12.292 -17.720 1.00 0.00 H new ATOM 0 HA PHE A 24 7.344 -14.433 -19.616 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.433 -13.013 -17.916 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.806 -14.161 -19.187 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.157 -10.885 -18.549 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.926 -13.468 -21.440 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.094 -9.074 -20.207 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.866 -11.657 -23.098 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.955 -9.453 -22.482 1.00 0.00 H new ATOM 346 N CYS A 25 7.435 -15.154 -16.496 1.00 0.00 N ATOM 347 CA CYS A 25 7.530 -16.233 -15.519 1.00 0.00 C ATOM 348 C CYS A 25 8.983 -16.640 -15.298 1.00 0.00 C ATOM 349 O CYS A 25 9.375 -17.768 -15.599 1.00 0.00 O ATOM 350 CB CYS A 25 6.713 -17.440 -15.981 1.00 0.00 C ATOM 351 SG CYS A 25 4.975 -17.389 -15.487 1.00 0.00 S ATOM 0 H CYS A 25 7.000 -14.302 -16.142 1.00 0.00 H new ATOM 0 HA CYS A 25 7.126 -15.871 -14.574 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.769 -17.508 -17.067 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.167 -18.347 -15.581 1.00 0.00 H new ATOM 0 HG CYS A 25 4.368 -18.451 -15.926 1.00 0.00 H new ATOM 357 N LEU A 26 9.777 -15.715 -14.771 1.00 0.00 N ATOM 358 CA LEU A 26 11.189 -15.977 -14.511 1.00 0.00 C ATOM 359 C LEU A 26 11.499 -15.857 -13.022 1.00 0.00 C ATOM 360 O LEU A 26 10.594 -15.751 -12.194 1.00 0.00 O ATOM 361 CB LEU A 26 12.063 -15.005 -15.306 1.00 0.00 C ATOM 362 CG LEU A 26 11.738 -14.874 -16.794 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.116 -13.492 -17.303 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.455 -15.953 -17.593 1.00 0.00 C ATOM 0 H LEU A 26 9.468 -14.777 -14.515 1.00 0.00 H new ATOM 0 HA LEU A 26 11.409 -16.996 -14.828 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.983 -14.019 -14.849 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.102 -15.319 -15.208 1.00 0.00 H new ATOM 0 HG LEU A 26 10.664 -15.006 -16.925 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.877 -13.417 -18.364 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.558 -12.736 -16.751 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.184 -13.331 -17.159 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.212 -15.845 -18.650 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.532 -15.852 -17.456 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.135 -16.936 -17.246 1.00 0.00 H new ATOM 376 N LYS A 27 12.785 -15.871 -12.688 1.00 0.00 N ATOM 377 CA LYS A 27 13.217 -15.760 -11.300 1.00 0.00 C ATOM 378 C LYS A 27 13.405 -14.300 -10.903 1.00 0.00 C ATOM 379 O LYS A 27 13.351 -13.405 -11.748 1.00 0.00 O ATOM 380 CB LYS A 27 14.523 -16.530 -11.088 1.00 0.00 C ATOM 381 CG LYS A 27 14.366 -18.036 -11.199 1.00 0.00 C ATOM 382 CD LYS A 27 13.621 -18.609 -10.005 1.00 0.00 C ATOM 383 CE LYS A 27 12.905 -19.902 -10.364 1.00 0.00 C ATOM 384 NZ LYS A 27 13.193 -20.986 -9.384 1.00 0.00 N ATOM 0 H LYS A 27 13.547 -15.958 -13.361 1.00 0.00 H new ATOM 0 HA LYS A 27 12.441 -16.192 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.256 -16.195 -11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.923 -16.286 -10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.829 -18.280 -12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.349 -18.501 -11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.322 -18.794 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.897 -17.879 -9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.830 -19.723 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.211 -20.222 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.687 -21.850 -9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.216 -21.174 -9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.878 -20.691 -8.438 1.00 0.00 H new ATOM 398 N SER A 28 13.627 -14.065 -9.614 1.00 0.00 N ATOM 399 CA SER A 28 13.821 -12.712 -9.106 1.00 0.00 C ATOM 400 C SER A 28 15.231 -12.214 -9.410 1.00 0.00 C ATOM 401 O SER A 28 15.412 -11.121 -9.947 1.00 0.00 O ATOM 402 CB SER A 28 13.568 -12.670 -7.598 1.00 0.00 C ATOM 403 OG SER A 28 12.634 -11.658 -7.265 1.00 0.00 O ATOM 0 H SER A 28 13.677 -14.794 -8.902 1.00 0.00 H new ATOM 0 HA SER A 28 13.107 -12.057 -9.606 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.196 -13.638 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.506 -12.490 -7.074 1.00 0.00 H new ATOM 0 HG SER A 28 12.488 -11.653 -6.296 1.00 0.00 H new ATOM 409 N SER A 29 16.226 -13.024 -9.063 1.00 0.00 N ATOM 410 CA SER A 29 17.620 -12.665 -9.295 1.00 0.00 C ATOM 411 C SER A 29 17.886 -12.454 -10.782 1.00 0.00 C ATOM 412 O SER A 29 18.787 -11.707 -11.163 1.00 0.00 O ATOM 413 CB SER A 29 18.546 -13.754 -8.749 1.00 0.00 C ATOM 414 OG SER A 29 19.836 -13.663 -9.328 1.00 0.00 O ATOM 0 H SER A 29 16.093 -13.933 -8.620 1.00 0.00 H new ATOM 0 HA SER A 29 17.821 -11.730 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.623 -13.661 -7.666 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.120 -14.736 -8.955 1.00 0.00 H new ATOM 0 HG SER A 29 20.409 -14.368 -8.962 1.00 0.00 H new ATOM 420 N ASP A 30 17.096 -13.118 -11.618 1.00 0.00 N ATOM 421 CA ASP A 30 17.244 -13.004 -13.064 1.00 0.00 C ATOM 422 C ASP A 30 17.154 -11.546 -13.506 1.00 0.00 C ATOM 423 O ASP A 30 18.074 -11.018 -14.132 1.00 0.00 O ATOM 424 CB ASP A 30 16.173 -13.832 -13.776 1.00 0.00 C ATOM 425 CG ASP A 30 16.532 -15.304 -13.847 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.643 -15.665 -13.404 1.00 0.00 O ATOM 427 OD2 ASP A 30 15.703 -16.094 -14.346 1.00 0.00 O ATOM 0 H ASP A 30 16.346 -13.741 -11.319 1.00 0.00 H new ATOM 0 HA ASP A 30 18.228 -13.388 -13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.223 -13.717 -13.254 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.031 -13.446 -14.786 1.00 0.00 H new ATOM 432 N LEU A 31 16.040 -10.902 -13.178 1.00 0.00 N ATOM 433 CA LEU A 31 15.828 -9.505 -13.541 1.00 0.00 C ATOM 434 C LEU A 31 16.987 -8.636 -13.063 1.00 0.00 C ATOM 435 O LEU A 31 17.428 -7.731 -13.770 1.00 0.00 O ATOM 436 CB LEU A 31 14.515 -8.996 -12.945 1.00 0.00 C ATOM 437 CG LEU A 31 13.254 -9.274 -13.764 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.274 -8.480 -15.061 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.121 -10.762 -14.050 1.00 0.00 C ATOM 0 H LEU A 31 15.269 -11.325 -12.661 1.00 0.00 H new ATOM 0 HA LEU A 31 15.775 -9.442 -14.628 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.389 -9.443 -11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.599 -7.919 -12.799 1.00 0.00 H new ATOM 0 HG LEU A 31 12.389 -8.958 -13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.369 -8.691 -15.631 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.321 -7.415 -14.835 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.147 -8.765 -15.649 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.218 -10.941 -14.634 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.990 -11.104 -14.612 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.059 -11.309 -13.109 1.00 0.00 H new ATOM 451 N GLU A 32 17.477 -8.921 -11.860 1.00 0.00 N ATOM 452 CA GLU A 32 18.586 -8.166 -11.290 1.00 0.00 C ATOM 453 C GLU A 32 19.789 -8.173 -12.228 1.00 0.00 C ATOM 454 O GLU A 32 20.614 -7.261 -12.202 1.00 0.00 O ATOM 455 CB GLU A 32 18.982 -8.747 -9.931 1.00 0.00 C ATOM 456 CG GLU A 32 18.343 -8.031 -8.753 1.00 0.00 C ATOM 457 CD GLU A 32 19.349 -7.252 -7.928 1.00 0.00 C ATOM 458 OE1 GLU A 32 20.267 -6.651 -8.526 1.00 0.00 O ATOM 459 OE2 GLU A 32 19.220 -7.243 -6.686 1.00 0.00 O ATOM 0 H GLU A 32 17.124 -9.668 -11.263 1.00 0.00 H new ATOM 0 HA GLU A 32 18.259 -7.135 -11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.702 -9.800 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 32 20.066 -8.702 -9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.575 -7.350 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.844 -8.761 -8.116 1.00 0.00 H new ATOM 466 N GLN A 33 19.881 -9.210 -13.055 1.00 0.00 N ATOM 467 CA GLN A 33 20.984 -9.337 -14.001 1.00 0.00 C ATOM 468 C GLN A 33 20.892 -8.273 -15.089 1.00 0.00 C ATOM 469 O GLN A 33 21.901 -7.885 -15.679 1.00 0.00 O ATOM 470 CB GLN A 33 20.984 -10.730 -14.632 1.00 0.00 C ATOM 471 CG GLN A 33 22.295 -11.089 -15.312 1.00 0.00 C ATOM 472 CD GLN A 33 22.092 -11.878 -16.591 1.00 0.00 C ATOM 473 OE1 GLN A 33 21.326 -12.841 -16.625 1.00 0.00 O ATOM 474 NE2 GLN A 33 22.780 -11.472 -17.652 1.00 0.00 N ATOM 0 H GLN A 33 19.206 -9.974 -13.089 1.00 0.00 H new ATOM 0 HA GLN A 33 21.917 -9.193 -13.455 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.770 -11.469 -13.860 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.177 -10.789 -15.363 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.846 -10.175 -15.537 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.909 -11.670 -14.624 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.404 -10.668 -17.578 1.00 0.00 H new ATOM 0 HE22 GLN A 33 22.685 -11.964 -18.540 1.00 0.00 H new ATOM 483 N LEU A 34 19.677 -7.805 -15.351 1.00 0.00 N ATOM 484 CA LEU A 34 19.453 -6.785 -16.370 1.00 0.00 C ATOM 485 C LEU A 34 19.736 -5.392 -15.817 1.00 0.00 C ATOM 486 O LEU A 34 19.801 -5.196 -14.604 1.00 0.00 O ATOM 487 CB LEU A 34 18.015 -6.859 -16.887 1.00 0.00 C ATOM 488 CG LEU A 34 17.553 -8.227 -17.391 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.035 -8.286 -17.457 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.160 -8.527 -18.753 1.00 0.00 C ATOM 0 H LEU A 34 18.832 -8.115 -14.872 1.00 0.00 H new ATOM 0 HA LEU A 34 20.139 -6.974 -17.196 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.346 -6.544 -16.087 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.904 -6.139 -17.698 1.00 0.00 H new ATOM 0 HG LEU A 34 17.896 -8.986 -16.688 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.724 -9.267 -17.818 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.621 -8.117 -16.463 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.670 -7.517 -18.138 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.820 -9.504 -19.096 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.848 -7.764 -19.466 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.247 -8.528 -18.675 1.00 0.00 H new ATOM 502 N ARG A 35 19.900 -4.426 -16.716 1.00 0.00 N ATOM 503 CA ARG A 35 20.174 -3.051 -16.318 1.00 0.00 C ATOM 504 C ARG A 35 18.902 -2.361 -15.834 1.00 0.00 C ATOM 505 O ARG A 35 17.880 -2.367 -16.520 1.00 0.00 O ATOM 506 CB ARG A 35 20.778 -2.270 -17.487 1.00 0.00 C ATOM 507 CG ARG A 35 22.162 -1.713 -17.197 1.00 0.00 C ATOM 508 CD ARG A 35 23.104 -1.921 -18.373 1.00 0.00 C ATOM 509 NE ARG A 35 24.501 -1.981 -17.952 1.00 0.00 N ATOM 510 CZ ARG A 35 25.181 -0.930 -17.509 1.00 0.00 C ATOM 511 NH1 ARG A 35 24.596 0.257 -17.429 1.00 0.00 N ATOM 512 NH2 ARG A 35 26.450 -1.065 -17.144 1.00 0.00 N ATOM 0 H ARG A 35 19.848 -4.571 -17.724 1.00 0.00 H new ATOM 0 HA ARG A 35 20.890 -3.073 -15.496 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.833 -2.922 -18.359 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.112 -1.447 -17.746 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.088 -0.649 -16.973 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.572 -2.197 -16.311 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.841 -2.844 -18.889 1.00 0.00 H new ATOM 0 HD3 ARG A 35 22.976 -1.109 -19.088 1.00 0.00 H new ATOM 0 HE ARG A 35 24.981 -2.880 -18.001 1.00 0.00 H new ATOM 0 HH11 ARG A 35 23.621 0.365 -17.708 1.00 0.00 H new ATOM 0 HH12 ARG A 35 25.121 1.062 -17.088 1.00 0.00 H new ATOM 0 HH21 ARG A 35 26.904 -1.977 -17.204 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.972 -0.257 -16.804 1.00 0.00 H new ATOM 526 N LYS A 36 18.972 -1.766 -14.648 1.00 0.00 N ATOM 527 CA LYS A 36 17.828 -1.071 -14.072 1.00 0.00 C ATOM 528 C LYS A 36 17.552 0.232 -14.815 1.00 0.00 C ATOM 529 O LYS A 36 18.155 1.265 -14.521 1.00 0.00 O ATOM 530 CB LYS A 36 18.074 -0.783 -12.589 1.00 0.00 C ATOM 531 CG LYS A 36 18.444 -2.015 -11.783 1.00 0.00 C ATOM 532 CD LYS A 36 18.800 -1.658 -10.349 1.00 0.00 C ATOM 533 CE LYS A 36 19.845 -2.607 -9.782 1.00 0.00 C ATOM 534 NZ LYS A 36 20.201 -2.264 -8.377 1.00 0.00 N ATOM 0 H LYS A 36 19.810 -1.751 -14.067 1.00 0.00 H new ATOM 0 HA LYS A 36 16.955 -1.716 -14.171 1.00 0.00 H new ATOM 0 HB2 LYS A 36 18.873 -0.047 -12.498 1.00 0.00 H new ATOM 0 HB3 LYS A 36 17.177 -0.335 -12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.611 -2.718 -11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 36 19.288 -2.519 -12.254 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.176 -0.636 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.903 -1.692 -9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.468 -3.629 -9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.741 -2.574 -10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.916 -2.933 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.585 -1.298 -8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.351 -2.321 -7.780 1.00 0.00 H new ATOM 782 N VAL A 51 12.303 0.606 -13.925 1.00 0.00 N ATOM 783 CA VAL A 51 11.739 -0.316 -14.903 1.00 0.00 C ATOM 784 C VAL A 51 12.837 -0.996 -15.714 1.00 0.00 C ATOM 785 O VAL A 51 14.005 -0.613 -15.640 1.00 0.00 O ATOM 786 CB VAL A 51 10.778 0.405 -15.866 1.00 0.00 C ATOM 787 CG1 VAL A 51 9.468 0.734 -15.166 1.00 0.00 C ATOM 788 CG2 VAL A 51 11.426 1.664 -16.422 1.00 0.00 C ATOM 0 HA VAL A 51 11.184 -1.069 -14.344 1.00 0.00 H new ATOM 0 HB VAL A 51 10.559 -0.262 -16.700 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.801 1.243 -15.862 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.998 -0.187 -14.822 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.665 1.382 -14.312 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.733 2.161 -17.101 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.676 2.337 -15.602 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.334 1.397 -16.962 1.00 0.00 H new ATOM 798 N TYR A 52 12.455 -2.007 -16.486 1.00 0.00 N ATOM 799 CA TYR A 52 13.408 -2.742 -17.310 1.00 0.00 C ATOM 800 C TYR A 52 13.049 -2.630 -18.789 1.00 0.00 C ATOM 801 O TYR A 52 11.890 -2.410 -19.144 1.00 0.00 O ATOM 802 CB TYR A 52 13.446 -4.213 -16.892 1.00 0.00 C ATOM 803 CG TYR A 52 14.095 -4.443 -15.546 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.343 -3.908 -15.255 1.00 0.00 C ATOM 805 CD2 TYR A 52 13.460 -5.197 -14.567 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.941 -4.117 -14.026 1.00 0.00 C ATOM 807 CE2 TYR A 52 14.049 -5.410 -13.336 1.00 0.00 C ATOM 808 CZ TYR A 52 15.289 -4.868 -13.070 1.00 0.00 C ATOM 809 OH TYR A 52 15.880 -5.079 -11.845 1.00 0.00 O ATOM 0 H TYR A 52 11.492 -2.336 -16.559 1.00 0.00 H new ATOM 0 HA TYR A 52 14.394 -2.303 -17.160 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.428 -4.601 -16.866 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.985 -4.783 -17.648 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.855 -3.319 -16.001 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.489 -5.624 -14.772 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.913 -3.695 -13.816 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.541 -5.998 -12.586 1.00 0.00 H new ATOM 0 HH TYR A 52 15.289 -5.627 -11.287 1.00 0.00 H new ATOM 819 N LEU A 53 14.051 -2.785 -19.647 1.00 0.00 N ATOM 820 CA LEU A 53 13.844 -2.703 -21.088 1.00 0.00 C ATOM 821 C LEU A 53 13.132 -3.948 -21.608 1.00 0.00 C ATOM 822 O LEU A 53 13.633 -5.064 -21.470 1.00 0.00 O ATOM 823 CB LEU A 53 15.183 -2.530 -21.807 1.00 0.00 C ATOM 824 CG LEU A 53 15.280 -1.344 -22.767 1.00 0.00 C ATOM 825 CD1 LEU A 53 14.191 -1.423 -23.826 1.00 0.00 C ATOM 826 CD2 LEU A 53 15.190 -0.030 -22.004 1.00 0.00 C ATOM 0 H LEU A 53 15.015 -2.968 -19.369 1.00 0.00 H new ATOM 0 HA LEU A 53 13.215 -1.836 -21.291 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.966 -2.429 -21.055 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.393 -3.442 -22.365 1.00 0.00 H new ATOM 0 HG LEU A 53 16.248 -1.385 -23.267 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.276 -0.571 -24.500 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.302 -2.347 -24.394 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.213 -1.408 -23.344 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.261 0.803 -22.704 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.238 0.020 -21.476 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.007 0.030 -21.285 1.00 0.00 H new ATOM 838 N ARG A 54 11.963 -3.749 -22.207 1.00 0.00 N ATOM 839 CA ARG A 54 11.183 -4.856 -22.749 1.00 0.00 C ATOM 840 C ARG A 54 12.033 -5.713 -23.682 1.00 0.00 C ATOM 841 O ARG A 54 11.890 -6.935 -23.720 1.00 0.00 O ATOM 842 CB ARG A 54 9.959 -4.326 -23.498 1.00 0.00 C ATOM 843 CG ARG A 54 8.848 -5.353 -23.651 1.00 0.00 C ATOM 844 CD ARG A 54 7.475 -4.703 -23.579 1.00 0.00 C ATOM 845 NE ARG A 54 6.811 -4.682 -24.879 1.00 0.00 N ATOM 846 CZ ARG A 54 5.552 -4.297 -25.055 1.00 0.00 C ATOM 847 NH1 ARG A 54 4.825 -3.903 -24.018 1.00 0.00 N ATOM 848 NH2 ARG A 54 5.017 -4.305 -26.269 1.00 0.00 N ATOM 0 H ARG A 54 11.535 -2.832 -22.330 1.00 0.00 H new ATOM 0 HA ARG A 54 10.850 -5.476 -21.917 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.568 -3.456 -22.970 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.267 -3.986 -24.487 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.958 -5.870 -24.604 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.937 -6.106 -22.868 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.855 -5.244 -22.864 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.576 -3.683 -23.207 1.00 0.00 H new ATOM 0 HE ARG A 54 7.343 -4.979 -25.697 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.233 -3.895 -23.083 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.858 -3.608 -24.156 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.573 -4.607 -27.069 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.050 -4.009 -26.402 1.00 0.00 H new ATOM 862 N SER A 55 12.916 -5.064 -24.434 1.00 0.00 N ATOM 863 CA SER A 55 13.785 -5.767 -25.371 1.00 0.00 C ATOM 864 C SER A 55 14.811 -6.617 -24.628 1.00 0.00 C ATOM 865 O SER A 55 15.235 -7.665 -25.115 1.00 0.00 O ATOM 866 CB SER A 55 14.499 -4.768 -26.284 1.00 0.00 C ATOM 867 OG SER A 55 13.624 -4.274 -27.283 1.00 0.00 O ATOM 0 H SER A 55 13.049 -4.053 -24.413 1.00 0.00 H new ATOM 0 HA SER A 55 13.165 -6.426 -25.979 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.883 -3.939 -25.690 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.357 -5.249 -26.753 1.00 0.00 H new ATOM 0 HG SER A 55 14.104 -3.636 -27.852 1.00 0.00 H new ATOM 873 N ASP A 56 15.204 -6.158 -23.445 1.00 0.00 N ATOM 874 CA ASP A 56 16.179 -6.876 -22.632 1.00 0.00 C ATOM 875 C ASP A 56 15.561 -8.130 -22.023 1.00 0.00 C ATOM 876 O ASP A 56 16.094 -9.230 -22.167 1.00 0.00 O ATOM 877 CB ASP A 56 16.719 -5.968 -21.525 1.00 0.00 C ATOM 878 CG ASP A 56 17.939 -5.183 -21.963 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.893 -5.806 -22.473 1.00 0.00 O ATOM 880 OD2 ASP A 56 17.940 -3.945 -21.795 1.00 0.00 O ATOM 0 H ASP A 56 14.863 -5.292 -23.028 1.00 0.00 H new ATOM 0 HA ASP A 56 17.003 -7.177 -23.278 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.937 -5.275 -21.214 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.973 -6.573 -20.655 1.00 0.00 H new ATOM 885 N VAL A 57 14.433 -7.956 -21.341 1.00 0.00 N ATOM 886 CA VAL A 57 13.742 -9.074 -20.709 1.00 0.00 C ATOM 887 C VAL A 57 13.321 -10.114 -21.742 1.00 0.00 C ATOM 888 O VAL A 57 13.214 -11.300 -21.434 1.00 0.00 O ATOM 889 CB VAL A 57 12.497 -8.599 -19.937 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.900 -9.743 -19.131 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.845 -7.425 -19.035 1.00 0.00 C ATOM 0 H VAL A 57 13.979 -7.052 -21.212 1.00 0.00 H new ATOM 0 HA VAL A 57 14.444 -9.526 -20.008 1.00 0.00 H new ATOM 0 HB VAL A 57 11.750 -8.265 -20.657 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.021 -9.389 -18.592 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.612 -10.551 -19.804 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.639 -10.110 -18.419 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.953 -7.103 -18.497 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.610 -7.729 -18.320 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.222 -6.600 -19.640 1.00 0.00 H new ATOM 901 N GLU A 58 13.082 -9.659 -22.968 1.00 0.00 N ATOM 902 CA GLU A 58 12.672 -10.551 -24.046 1.00 0.00 C ATOM 903 C GLU A 58 13.674 -11.688 -24.223 1.00 0.00 C ATOM 904 O GLU A 58 13.298 -12.819 -24.528 1.00 0.00 O ATOM 905 CB GLU A 58 12.531 -9.773 -25.356 1.00 0.00 C ATOM 906 CG GLU A 58 12.107 -10.634 -26.534 1.00 0.00 C ATOM 907 CD GLU A 58 11.594 -9.815 -27.702 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.214 -8.645 -27.485 1.00 0.00 O ATOM 909 OE2 GLU A 58 11.574 -10.343 -28.833 1.00 0.00 O ATOM 0 H GLU A 58 13.165 -8.679 -23.239 1.00 0.00 H new ATOM 0 HA GLU A 58 11.706 -10.980 -23.780 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.801 -8.976 -25.218 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.483 -9.296 -25.590 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.954 -11.236 -26.862 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.329 -11.326 -26.212 1.00 0.00 H new ATOM 916 N ALA A 59 14.952 -11.378 -24.030 1.00 0.00 N ATOM 917 CA ALA A 59 16.009 -12.373 -24.166 1.00 0.00 C ATOM 918 C ALA A 59 16.215 -13.136 -22.863 1.00 0.00 C ATOM 919 O ALA A 59 16.579 -14.312 -22.871 1.00 0.00 O ATOM 920 CB ALA A 59 17.306 -11.708 -24.602 1.00 0.00 C ATOM 0 H ALA A 59 15.280 -10.446 -23.779 1.00 0.00 H new ATOM 0 HA ALA A 59 15.705 -13.088 -24.931 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.087 -12.462 -24.700 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.157 -11.214 -25.562 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.605 -10.971 -23.857 1.00 0.00 H new ATOM 926 N LYS A 60 15.982 -12.460 -21.743 1.00 0.00 N ATOM 927 CA LYS A 60 16.141 -13.074 -20.430 1.00 0.00 C ATOM 928 C LYS A 60 15.299 -14.341 -20.316 1.00 0.00 C ATOM 929 O LYS A 60 15.621 -15.244 -19.545 1.00 0.00 O ATOM 930 CB LYS A 60 15.746 -12.086 -19.331 1.00 0.00 C ATOM 931 CG LYS A 60 15.950 -12.626 -17.926 1.00 0.00 C ATOM 932 CD LYS A 60 17.409 -12.960 -17.663 1.00 0.00 C ATOM 933 CE LYS A 60 18.289 -11.723 -17.752 1.00 0.00 C ATOM 934 NZ LYS A 60 19.041 -11.668 -19.036 1.00 0.00 N ATOM 0 H LYS A 60 15.682 -11.485 -21.718 1.00 0.00 H new ATOM 0 HA LYS A 60 17.190 -13.344 -20.308 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.329 -11.173 -19.448 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.698 -11.814 -19.458 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.608 -11.890 -17.199 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.341 -13.519 -17.786 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.508 -13.408 -16.674 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.749 -13.702 -18.385 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.671 -10.830 -17.654 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.992 -11.717 -16.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.667 -10.837 -19.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.611 -12.531 -19.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.371 -11.597 -19.828 1.00 0.00 H new ATOM 948 N SER A 61 14.220 -14.401 -21.090 1.00 0.00 N ATOM 949 CA SER A 61 13.331 -15.556 -21.074 1.00 0.00 C ATOM 950 C SER A 61 13.862 -16.663 -21.979 1.00 0.00 C ATOM 951 O SER A 61 13.580 -17.844 -21.767 1.00 0.00 O ATOM 952 CB SER A 61 11.924 -15.150 -21.518 1.00 0.00 C ATOM 953 OG SER A 61 11.666 -15.574 -22.846 1.00 0.00 O ATOM 0 H SER A 61 13.941 -13.663 -21.736 1.00 0.00 H new ATOM 0 HA SER A 61 13.287 -15.935 -20.053 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.187 -15.586 -20.844 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.816 -14.067 -21.451 1.00 0.00 H new ATOM 0 HG SER A 61 10.760 -15.304 -23.105 1.00 0.00 H new ATOM 959 N LEU A 62 14.634 -16.275 -22.988 1.00 0.00 N ATOM 960 CA LEU A 62 15.206 -17.233 -23.927 1.00 0.00 C ATOM 961 C LEU A 62 16.438 -17.908 -23.333 1.00 0.00 C ATOM 962 O LEU A 62 16.696 -19.084 -23.587 1.00 0.00 O ATOM 963 CB LEU A 62 15.574 -16.536 -25.238 1.00 0.00 C ATOM 964 CG LEU A 62 14.518 -15.593 -25.817 1.00 0.00 C ATOM 965 CD1 LEU A 62 14.965 -15.055 -27.167 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.179 -16.305 -25.941 1.00 0.00 C ATOM 0 H LEU A 62 14.878 -15.303 -23.177 1.00 0.00 H new ATOM 0 HA LEU A 62 14.457 -17.998 -24.128 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.491 -15.969 -25.079 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.797 -17.300 -25.982 1.00 0.00 H new ATOM 0 HG LEU A 62 14.398 -14.751 -25.136 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.201 -14.386 -27.563 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.900 -14.508 -27.049 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.115 -15.885 -27.858 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.439 -15.619 -26.355 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.285 -17.166 -26.601 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.853 -16.640 -24.957 1.00 0.00 H new ATOM 978 N GLU A 63 17.194 -17.155 -22.540 1.00 0.00 N ATOM 979 CA GLU A 63 18.398 -17.682 -21.908 1.00 0.00 C ATOM 980 C GLU A 63 18.044 -18.620 -20.758 1.00 0.00 C ATOM 981 O GLU A 63 18.824 -19.501 -20.397 1.00 0.00 O ATOM 982 CB GLU A 63 19.275 -16.537 -21.397 1.00 0.00 C ATOM 983 CG GLU A 63 18.735 -15.871 -20.142 1.00 0.00 C ATOM 984 CD GLU A 63 19.465 -16.312 -18.888 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.821 -17.506 -18.798 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.680 -15.464 -17.997 1.00 0.00 O ATOM 0 H GLU A 63 16.994 -16.179 -22.320 1.00 0.00 H new ATOM 0 HA GLU A 63 18.952 -18.248 -22.657 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.275 -16.919 -21.194 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.374 -15.788 -22.182 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.818 -14.789 -20.245 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.674 -16.101 -20.041 1.00 0.00 H new ATOM 993 N VAL A 64 16.861 -18.422 -20.184 1.00 0.00 N ATOM 994 CA VAL A 64 16.402 -19.249 -19.075 1.00 0.00 C ATOM 995 C VAL A 64 15.637 -20.469 -19.578 1.00 0.00 C ATOM 996 O VAL A 64 16.138 -21.592 -19.528 1.00 0.00 O ATOM 997 CB VAL A 64 15.499 -18.451 -18.116 1.00 0.00 C ATOM 998 CG1 VAL A 64 14.986 -19.345 -16.997 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.249 -17.254 -17.551 1.00 0.00 C ATOM 0 H VAL A 64 16.204 -17.696 -20.469 1.00 0.00 H new ATOM 0 HA VAL A 64 17.291 -19.578 -18.537 1.00 0.00 H new ATOM 0 HB VAL A 64 14.640 -18.082 -18.676 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.350 -18.764 -16.330 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.410 -20.167 -17.423 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.830 -19.746 -16.436 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.596 -16.701 -16.875 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.127 -17.599 -17.005 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.562 -16.602 -18.367 1.00 0.00 H new ATOM 1009 N TRP A 65 14.423 -20.239 -20.063 1.00 0.00 N ATOM 1010 CA TRP A 65 13.588 -21.320 -20.576 1.00 0.00 C ATOM 1011 C TRP A 65 14.261 -22.015 -21.754 1.00 0.00 C ATOM 1012 O TRP A 65 14.000 -23.185 -22.029 1.00 0.00 O ATOM 1013 CB TRP A 65 12.222 -20.779 -21.000 1.00 0.00 C ATOM 1014 CG TRP A 65 11.272 -20.600 -19.854 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.051 -19.454 -19.144 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.419 -21.598 -19.284 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.111 -19.680 -18.168 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.707 -20.987 -18.233 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.185 -22.948 -19.560 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.780 -21.681 -17.460 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.265 -23.635 -18.792 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.571 -23.001 -17.752 1.00 0.00 C ATOM 0 H TRP A 65 13.994 -19.315 -20.112 1.00 0.00 H new ATOM 0 HA TRP A 65 13.450 -22.050 -19.778 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.358 -19.821 -21.502 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.779 -21.460 -21.727 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.543 -18.509 -19.324 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.769 -18.987 -17.503 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.714 -23.445 -20.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.245 -21.194 -16.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.077 -24.679 -18.996 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.858 -23.566 -17.170 1.00 0.00 H new ATOM 1033 N GLY A 66 15.130 -21.285 -22.448 1.00 0.00 N ATOM 1034 CA GLY A 66 15.827 -21.849 -23.590 1.00 0.00 C ATOM 1035 C GLY A 66 15.337 -21.282 -24.907 1.00 0.00 C ATOM 1036 O GLY A 66 16.131 -21.012 -25.808 1.00 0.00 O ATOM 0 H GLY A 66 15.363 -20.314 -22.240 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.895 -21.657 -23.491 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.697 -22.931 -23.593 1.00 0.00 H new ATOM 1040 N SER A 67 14.025 -21.102 -25.020 1.00 0.00 N ATOM 1041 CA SER A 67 13.430 -20.568 -26.240 1.00 0.00 C ATOM 1042 C SER A 67 12.097 -19.888 -25.940 1.00 0.00 C ATOM 1043 O SER A 67 11.470 -20.122 -24.907 1.00 0.00 O ATOM 1044 CB SER A 67 13.226 -21.685 -27.265 1.00 0.00 C ATOM 1045 OG SER A 67 13.293 -22.960 -26.650 1.00 0.00 O ATOM 0 H SER A 67 13.354 -21.318 -24.283 1.00 0.00 H new ATOM 0 HA SER A 67 14.113 -19.826 -26.654 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.259 -21.563 -27.752 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.986 -21.612 -28.043 1.00 0.00 H new ATOM 0 HG SER A 67 13.158 -23.657 -27.326 1.00 0.00 H new ATOM 1051 N PRO A 68 11.653 -19.025 -26.866 1.00 0.00 N ATOM 1052 CA PRO A 68 10.391 -18.293 -26.726 1.00 0.00 C ATOM 1053 C PRO A 68 9.175 -19.205 -26.851 1.00 0.00 C ATOM 1054 O PRO A 68 8.070 -18.840 -26.451 1.00 0.00 O ATOM 1055 CB PRO A 68 10.430 -17.293 -27.883 1.00 0.00 C ATOM 1056 CG PRO A 68 11.321 -17.922 -28.898 1.00 0.00 C ATOM 1057 CD PRO A 68 12.349 -18.698 -28.122 1.00 0.00 C ATOM 0 HA PRO A 68 10.297 -17.827 -25.745 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.433 -17.116 -28.287 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.819 -16.328 -27.559 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.756 -18.577 -29.561 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.794 -17.166 -29.525 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.660 -19.597 -28.655 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.247 -18.107 -27.942 1.00 0.00 H new ATOM 1065 N GLU A 69 9.387 -20.393 -27.409 1.00 0.00 N ATOM 1066 CA GLU A 69 8.306 -21.356 -27.587 1.00 0.00 C ATOM 1067 C GLU A 69 7.925 -21.998 -26.255 1.00 0.00 C ATOM 1068 O GLU A 69 6.754 -22.280 -26.003 1.00 0.00 O ATOM 1069 CB GLU A 69 8.718 -22.439 -28.587 1.00 0.00 C ATOM 1070 CG GLU A 69 9.250 -21.885 -29.898 1.00 0.00 C ATOM 1071 CD GLU A 69 8.674 -22.594 -31.108 1.00 0.00 C ATOM 1072 OE1 GLU A 69 7.432 -22.650 -31.226 1.00 0.00 O ATOM 1073 OE2 GLU A 69 9.464 -23.093 -31.936 1.00 0.00 O ATOM 0 H GLU A 69 10.296 -20.711 -27.745 1.00 0.00 H new ATOM 0 HA GLU A 69 7.439 -20.823 -27.976 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.482 -23.070 -28.132 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.859 -23.077 -28.794 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.017 -20.822 -29.960 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.336 -21.975 -29.912 1.00 0.00 H new ATOM 1080 N ALA A 70 8.923 -22.226 -25.408 1.00 0.00 N ATOM 1081 CA ALA A 70 8.693 -22.832 -24.102 1.00 0.00 C ATOM 1082 C ALA A 70 7.754 -21.977 -23.258 1.00 0.00 C ATOM 1083 O ALA A 70 6.827 -22.490 -22.629 1.00 0.00 O ATOM 1084 CB ALA A 70 10.014 -23.042 -23.378 1.00 0.00 C ATOM 0 H ALA A 70 9.899 -22.000 -25.603 1.00 0.00 H new ATOM 0 HA ALA A 70 8.219 -23.801 -24.257 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.827 -23.495 -22.404 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.652 -23.700 -23.968 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.511 -22.082 -23.242 1.00 0.00 H new ATOM 1090 N LEU A 71 8.000 -20.671 -23.247 1.00 0.00 N ATOM 1091 CA LEU A 71 7.176 -19.744 -22.478 1.00 0.00 C ATOM 1092 C LEU A 71 5.813 -19.554 -23.135 1.00 0.00 C ATOM 1093 O LEU A 71 4.791 -19.468 -22.454 1.00 0.00 O ATOM 1094 CB LEU A 71 7.883 -18.395 -22.344 1.00 0.00 C ATOM 1095 CG LEU A 71 7.062 -17.266 -21.720 1.00 0.00 C ATOM 1096 CD1 LEU A 71 6.775 -17.560 -20.256 1.00 0.00 C ATOM 1097 CD2 LEU A 71 7.786 -15.935 -21.866 1.00 0.00 C ATOM 0 H LEU A 71 8.763 -20.230 -23.761 1.00 0.00 H new ATOM 0 HA LEU A 71 7.024 -20.168 -21.485 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.783 -18.537 -21.745 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.207 -18.077 -23.335 1.00 0.00 H new ATOM 0 HG LEU A 71 6.111 -17.200 -22.249 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.190 -16.745 -19.829 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.214 -18.491 -20.175 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.715 -17.655 -19.713 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.187 -15.144 -21.416 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.752 -15.989 -21.363 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.939 -15.718 -22.923 1.00 0.00 H new ATOM 1109 N ALA A 72 5.805 -19.491 -24.462 1.00 0.00 N ATOM 1110 CA ALA A 72 4.567 -19.315 -25.211 1.00 0.00 C ATOM 1111 C ALA A 72 3.541 -20.378 -24.833 1.00 0.00 C ATOM 1112 O ALA A 72 2.338 -20.116 -24.822 1.00 0.00 O ATOM 1113 CB ALA A 72 4.844 -19.356 -26.707 1.00 0.00 C ATOM 0 H ALA A 72 6.642 -19.559 -25.041 1.00 0.00 H new ATOM 0 HA ALA A 72 4.153 -18.340 -24.956 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.910 -19.223 -27.254 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.536 -18.556 -26.971 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.284 -20.318 -26.969 1.00 0.00 H new ATOM 1119 N ARG A 73 4.024 -21.576 -24.523 1.00 0.00 N ATOM 1120 CA ARG A 73 3.148 -22.679 -24.146 1.00 0.00 C ATOM 1121 C ARG A 73 2.254 -22.287 -22.973 1.00 0.00 C ATOM 1122 O ARG A 73 1.079 -22.648 -22.928 1.00 0.00 O ATOM 1123 CB ARG A 73 3.974 -23.913 -23.781 1.00 0.00 C ATOM 1124 CG ARG A 73 4.867 -24.404 -24.909 1.00 0.00 C ATOM 1125 CD ARG A 73 4.337 -25.692 -25.519 1.00 0.00 C ATOM 1126 NE ARG A 73 3.461 -25.436 -26.660 1.00 0.00 N ATOM 1127 CZ ARG A 73 3.110 -26.368 -27.540 1.00 0.00 C ATOM 1128 NH1 ARG A 73 3.557 -27.609 -27.410 1.00 0.00 N ATOM 1129 NH2 ARG A 73 2.309 -26.058 -28.551 1.00 0.00 N ATOM 0 H ARG A 73 5.017 -21.808 -24.525 1.00 0.00 H new ATOM 0 HA ARG A 73 2.514 -22.915 -25.001 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.592 -23.682 -22.914 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.300 -24.717 -23.487 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.936 -23.637 -25.680 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.876 -24.568 -24.531 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.174 -26.314 -25.837 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.791 -26.254 -24.761 1.00 0.00 H new ATOM 0 HE ARG A 73 3.099 -24.491 -26.788 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.172 -27.851 -26.633 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.286 -28.322 -28.087 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.962 -25.104 -28.653 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.040 -26.773 -29.226 1.00 0.00 H new ATOM 1143 N GLU A 74 2.821 -21.546 -22.025 1.00 0.00 N ATOM 1144 CA GLU A 74 2.076 -21.107 -20.852 1.00 0.00 C ATOM 1145 C GLU A 74 1.293 -19.832 -21.151 1.00 0.00 C ATOM 1146 O GLU A 74 0.227 -19.596 -20.581 1.00 0.00 O ATOM 1147 CB GLU A 74 3.026 -20.871 -19.675 1.00 0.00 C ATOM 1148 CG GLU A 74 3.361 -22.135 -18.901 1.00 0.00 C ATOM 1149 CD GLU A 74 2.399 -22.391 -17.758 1.00 0.00 C ATOM 1150 OE1 GLU A 74 1.358 -23.040 -17.993 1.00 0.00 O ATOM 1151 OE2 GLU A 74 2.685 -21.942 -16.628 1.00 0.00 O ATOM 0 H GLU A 74 3.793 -21.238 -22.047 1.00 0.00 H new ATOM 0 HA GLU A 74 1.369 -21.893 -20.587 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.949 -20.428 -20.047 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.576 -20.147 -18.995 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.347 -22.987 -19.581 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.375 -22.058 -18.508 1.00 0.00 H new ATOM 1158 N LYS A 75 1.829 -19.012 -22.049 1.00 0.00 N ATOM 1159 CA LYS A 75 1.182 -17.761 -22.425 1.00 0.00 C ATOM 1160 C LYS A 75 -0.130 -18.026 -23.158 1.00 0.00 C ATOM 1161 O LYS A 75 -1.114 -17.311 -22.969 1.00 0.00 O ATOM 1162 CB LYS A 75 2.113 -16.928 -23.309 1.00 0.00 C ATOM 1163 CG LYS A 75 3.480 -16.684 -22.693 1.00 0.00 C ATOM 1164 CD LYS A 75 3.910 -15.235 -22.846 1.00 0.00 C ATOM 1165 CE LYS A 75 3.094 -14.314 -21.952 1.00 0.00 C ATOM 1166 NZ LYS A 75 2.118 -13.505 -22.733 1.00 0.00 N ATOM 0 H LYS A 75 2.710 -19.192 -22.530 1.00 0.00 H new ATOM 0 HA LYS A 75 0.963 -17.205 -21.513 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.240 -17.434 -24.266 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.641 -15.968 -23.516 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.456 -16.948 -21.636 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.215 -17.335 -23.167 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.967 -15.140 -22.599 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.797 -14.929 -23.886 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.561 -14.907 -21.209 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.764 -13.649 -21.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.998 -12.576 -22.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.471 -13.376 -23.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.202 -13.997 -22.760 1.00 0.00 H new