USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 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 Set 1.1: A 36 LYS NZ :NH3+ 157:sc= 0.659 (180deg=0) USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0.602 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 22 ASN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 25 CYS SG : rot 1:sc= 1.07 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.108 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 0.143 (180deg=0.0167) USER MOD Single : A 61 SER OG : rot -74:sc= 0.106 USER MOD Single : A 67 SER OG : rot 180:sc= -0.22 USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= 0.11 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 8.002 0.435 -21.772 1.00 0.00 N ATOM 169 CA PHE A 14 8.656 -0.122 -20.594 1.00 0.00 C ATOM 170 C PHE A 14 7.734 -1.100 -19.871 1.00 0.00 C ATOM 171 O PHE A 14 6.513 -0.939 -19.880 1.00 0.00 O ATOM 172 CB PHE A 14 9.078 0.998 -19.640 1.00 0.00 C ATOM 173 CG PHE A 14 10.252 1.794 -20.134 1.00 0.00 C ATOM 174 CD1 PHE A 14 10.074 2.825 -21.043 1.00 0.00 C ATOM 175 CD2 PHE A 14 11.533 1.513 -19.687 1.00 0.00 C ATOM 176 CE1 PHE A 14 11.153 3.558 -21.499 1.00 0.00 C ATOM 177 CE2 PHE A 14 12.616 2.244 -20.140 1.00 0.00 C ATOM 178 CZ PHE A 14 12.425 3.269 -21.046 1.00 0.00 C ATOM 0 HA PHE A 14 9.543 -0.662 -20.924 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.234 1.669 -19.484 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.324 0.565 -18.670 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.081 3.058 -21.399 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.687 0.714 -18.977 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.001 4.357 -22.210 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.610 2.014 -19.786 1.00 0.00 H new ATOM 0 HZ PHE A 14 13.269 3.843 -21.399 1.00 0.00 H new ATOM 188 N ILE A 15 8.326 -2.113 -19.248 1.00 0.00 N ATOM 189 CA ILE A 15 7.559 -3.116 -18.521 1.00 0.00 C ATOM 190 C ILE A 15 7.979 -3.174 -17.056 1.00 0.00 C ATOM 191 O ILE A 15 9.168 -3.134 -16.737 1.00 0.00 O ATOM 192 CB ILE A 15 7.724 -4.514 -19.147 1.00 0.00 C ATOM 193 CG1 ILE A 15 6.815 -5.523 -18.441 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.177 -4.959 -19.073 1.00 0.00 C ATOM 195 CD1 ILE A 15 6.655 -6.823 -19.196 1.00 0.00 C ATOM 0 H ILE A 15 9.335 -2.261 -19.232 1.00 0.00 H new ATOM 0 HA ILE A 15 6.512 -2.820 -18.585 1.00 0.00 H new ATOM 0 HB ILE A 15 7.433 -4.463 -20.196 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.220 -5.734 -17.451 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.833 -5.074 -18.294 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.278 -5.948 -19.519 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.803 -4.251 -19.616 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.493 -4.997 -18.031 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.998 -7.490 -18.637 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.221 -6.624 -20.176 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.630 -7.294 -19.320 1.00 0.00 H new ATOM 207 N THR A 16 6.995 -3.272 -16.167 1.00 0.00 N ATOM 208 CA THR A 16 7.262 -3.337 -14.736 1.00 0.00 C ATOM 209 C THR A 16 8.111 -4.554 -14.390 1.00 0.00 C ATOM 210 O THR A 16 8.144 -5.532 -15.135 1.00 0.00 O ATOM 211 CB THR A 16 5.955 -3.388 -13.923 1.00 0.00 C ATOM 212 OG1 THR A 16 4.828 -3.279 -14.799 1.00 0.00 O ATOM 213 CG2 THR A 16 5.913 -2.269 -12.894 1.00 0.00 C ATOM 0 H THR A 16 6.006 -3.308 -16.414 1.00 0.00 H new ATOM 0 HA THR A 16 7.808 -2.431 -14.475 1.00 0.00 H new ATOM 0 HB THR A 16 5.917 -4.343 -13.399 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.001 -3.314 -14.274 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.981 -2.326 -12.332 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.755 -2.372 -12.210 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.973 -1.306 -13.401 1.00 0.00 H new ATOM 221 N GLY A 17 8.797 -4.488 -13.252 1.00 0.00 N ATOM 222 CA GLY A 17 9.637 -5.592 -12.827 1.00 0.00 C ATOM 223 C GLY A 17 8.850 -6.870 -12.614 1.00 0.00 C ATOM 224 O GLY A 17 8.992 -7.829 -13.373 1.00 0.00 O ATOM 0 H GLY A 17 8.785 -3.689 -12.617 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.410 -5.765 -13.575 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.145 -5.323 -11.901 1.00 0.00 H new ATOM 228 N VAL A 18 8.019 -6.886 -11.577 1.00 0.00 N ATOM 229 CA VAL A 18 7.207 -8.056 -11.265 1.00 0.00 C ATOM 230 C VAL A 18 6.427 -8.525 -12.488 1.00 0.00 C ATOM 231 O VAL A 18 6.261 -9.725 -12.708 1.00 0.00 O ATOM 232 CB VAL A 18 6.219 -7.764 -10.120 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.375 -8.993 -9.817 1.00 0.00 C ATOM 234 CG2 VAL A 18 6.965 -7.300 -8.878 1.00 0.00 C ATOM 0 H VAL A 18 7.890 -6.101 -10.938 1.00 0.00 H new ATOM 0 HA VAL A 18 7.893 -8.843 -10.951 1.00 0.00 H new ATOM 0 HB VAL A 18 5.551 -6.962 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.683 -8.768 -9.006 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.812 -9.276 -10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.025 -9.817 -9.522 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.251 -7.098 -8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.658 -8.078 -8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.521 -6.391 -9.106 1.00 0.00 H new ATOM 244 N ARG A 19 5.950 -7.571 -13.280 1.00 0.00 N ATOM 245 CA ARG A 19 5.186 -7.886 -14.482 1.00 0.00 C ATOM 246 C ARG A 19 5.988 -8.788 -15.415 1.00 0.00 C ATOM 247 O ARG A 19 5.427 -9.629 -16.116 1.00 0.00 O ATOM 248 CB ARG A 19 4.790 -6.601 -15.212 1.00 0.00 C ATOM 249 CG ARG A 19 3.393 -6.111 -14.869 1.00 0.00 C ATOM 250 CD ARG A 19 2.728 -5.443 -16.062 1.00 0.00 C ATOM 251 NE ARG A 19 1.735 -4.453 -15.652 1.00 0.00 N ATOM 252 CZ ARG A 19 0.910 -3.846 -16.497 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.958 -4.127 -17.792 1.00 0.00 N ATOM 254 NH2 ARG A 19 0.034 -2.957 -16.048 1.00 0.00 N ATOM 0 H ARG A 19 6.079 -6.573 -13.112 1.00 0.00 H new ATOM 0 HA ARG A 19 4.283 -8.417 -14.180 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.510 -5.819 -14.970 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.853 -6.770 -16.287 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.784 -6.951 -14.535 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.447 -5.406 -14.039 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.488 -4.961 -16.678 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.249 -6.201 -16.682 1.00 0.00 H new ATOM 0 HE ARG A 19 1.672 -4.215 -14.662 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.630 -4.811 -18.141 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.323 -3.659 -18.439 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.007 -2.739 -15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.599 -2.491 -16.698 1.00 0.00 H new ATOM 268 N ALA A 20 7.305 -8.605 -15.418 1.00 0.00 N ATOM 269 CA ALA A 20 8.184 -9.403 -16.264 1.00 0.00 C ATOM 270 C ALA A 20 8.458 -10.766 -15.639 1.00 0.00 C ATOM 271 O ALA A 20 8.422 -11.791 -16.321 1.00 0.00 O ATOM 272 CB ALA A 20 9.490 -8.663 -16.514 1.00 0.00 C ATOM 0 H ALA A 20 7.786 -7.912 -14.845 1.00 0.00 H new ATOM 0 HA ALA A 20 7.682 -9.564 -17.218 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.137 -9.270 -17.147 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.282 -7.715 -17.011 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.988 -8.472 -15.563 1.00 0.00 H new ATOM 278 N ILE A 21 8.733 -10.772 -14.339 1.00 0.00 N ATOM 279 CA ILE A 21 9.013 -12.010 -13.623 1.00 0.00 C ATOM 280 C ILE A 21 7.808 -12.945 -13.651 1.00 0.00 C ATOM 281 O ILE A 21 7.951 -14.162 -13.535 1.00 0.00 O ATOM 282 CB ILE A 21 9.404 -11.738 -12.159 1.00 0.00 C ATOM 283 CG1 ILE A 21 10.631 -10.826 -12.097 1.00 0.00 C ATOM 284 CG2 ILE A 21 9.672 -13.046 -11.430 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.484 -9.681 -11.120 1.00 0.00 C ATOM 0 H ILE A 21 8.768 -9.933 -13.760 1.00 0.00 H new ATOM 0 HA ILE A 21 9.852 -12.486 -14.131 1.00 0.00 H new ATOM 0 HB ILE A 21 8.574 -11.233 -11.665 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.502 -11.420 -11.819 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.824 -10.422 -13.091 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.947 -12.837 -10.396 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.774 -13.663 -11.448 1.00 0.00 H new ATOM 0 HG23 ILE A 21 10.487 -13.576 -11.922 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.391 -9.076 -11.129 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.633 -9.063 -11.409 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.321 -10.077 -10.117 1.00 0.00 H new ATOM 297 N ASN A 22 6.621 -12.368 -13.806 1.00 0.00 N ATOM 298 CA ASN A 22 5.391 -13.150 -13.850 1.00 0.00 C ATOM 299 C ASN A 22 5.051 -13.548 -15.283 1.00 0.00 C ATOM 300 O ASN A 22 4.740 -14.706 -15.558 1.00 0.00 O ATOM 301 CB ASN A 22 4.234 -12.354 -13.242 1.00 0.00 C ATOM 302 CG ASN A 22 3.918 -12.786 -11.823 1.00 0.00 C ATOM 303 OD1 ASN A 22 3.444 -13.898 -11.592 1.00 0.00 O ATOM 304 ND2 ASN A 22 4.181 -11.905 -10.864 1.00 0.00 N ATOM 0 H ASN A 22 6.485 -11.362 -13.903 1.00 0.00 H new ATOM 0 HA ASN A 22 5.545 -14.057 -13.266 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.483 -11.293 -13.249 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.346 -12.477 -13.863 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.990 -12.139 -9.890 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.574 -10.994 -11.102 1.00 0.00 H new ATOM 311 N GLU A 23 5.112 -12.579 -16.191 1.00 0.00 N ATOM 312 CA GLU A 23 4.810 -12.829 -17.596 1.00 0.00 C ATOM 313 C GLU A 23 5.833 -13.780 -18.211 1.00 0.00 C ATOM 314 O GLU A 23 5.483 -14.850 -18.709 1.00 0.00 O ATOM 315 CB GLU A 23 4.785 -11.514 -18.377 1.00 0.00 C ATOM 316 CG GLU A 23 3.516 -10.705 -18.165 1.00 0.00 C ATOM 317 CD GLU A 23 2.472 -10.966 -19.233 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.789 -10.788 -20.428 1.00 0.00 O ATOM 319 OE2 GLU A 23 1.339 -11.349 -18.874 1.00 0.00 O ATOM 0 H GLU A 23 5.368 -11.614 -15.979 1.00 0.00 H new ATOM 0 HA GLU A 23 3.826 -13.295 -17.653 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.644 -10.910 -18.084 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.895 -11.730 -19.440 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.097 -10.943 -17.187 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.764 -9.644 -18.156 1.00 0.00 H new ATOM 326 N PHE A 24 7.100 -13.380 -18.174 1.00 0.00 N ATOM 327 CA PHE A 24 8.175 -14.194 -18.729 1.00 0.00 C ATOM 328 C PHE A 24 8.464 -15.397 -17.835 1.00 0.00 C ATOM 329 O PHE A 24 9.113 -16.355 -18.256 1.00 0.00 O ATOM 330 CB PHE A 24 9.443 -13.355 -18.899 1.00 0.00 C ATOM 331 CG PHE A 24 9.299 -12.249 -19.905 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.689 -11.054 -19.557 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.774 -12.403 -21.197 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.555 -10.035 -20.481 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.643 -11.386 -22.125 1.00 0.00 C ATOM 336 CZ PHE A 24 9.033 -10.200 -21.766 1.00 0.00 C ATOM 0 H PHE A 24 7.407 -12.497 -17.766 1.00 0.00 H new ATOM 0 HA PHE A 24 7.854 -14.558 -19.705 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.717 -12.926 -17.935 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.262 -14.007 -19.202 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.314 -10.918 -18.553 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.252 -13.328 -21.483 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.076 -9.109 -20.198 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.017 -11.519 -23.129 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.930 -9.404 -22.488 1.00 0.00 H new ATOM 346 N CYS A 25 7.978 -15.338 -16.600 1.00 0.00 N ATOM 347 CA CYS A 25 8.185 -16.421 -15.645 1.00 0.00 C ATOM 348 C CYS A 25 9.672 -16.666 -15.414 1.00 0.00 C ATOM 349 O CYS A 25 10.209 -17.705 -15.802 1.00 0.00 O ATOM 350 CB CYS A 25 7.515 -17.703 -16.144 1.00 0.00 C ATOM 351 SG CYS A 25 5.719 -17.582 -16.308 1.00 0.00 S ATOM 0 H CYS A 25 7.438 -14.552 -16.237 1.00 0.00 H new ATOM 0 HA CYS A 25 7.733 -16.128 -14.697 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.940 -17.969 -17.112 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.752 -18.515 -15.457 1.00 0.00 H new ATOM 0 HG CYS A 25 5.332 -16.388 -15.970 1.00 0.00 H new ATOM 357 N LEU A 26 10.334 -15.704 -14.782 1.00 0.00 N ATOM 358 CA LEU A 26 11.761 -15.813 -14.500 1.00 0.00 C ATOM 359 C LEU A 26 12.023 -15.787 -12.998 1.00 0.00 C ATOM 360 O LEU A 26 11.094 -15.853 -12.193 1.00 0.00 O ATOM 361 CB LEU A 26 12.524 -14.677 -15.183 1.00 0.00 C ATOM 362 CG LEU A 26 12.221 -14.461 -16.666 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.561 -13.037 -17.077 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.987 -15.461 -17.518 1.00 0.00 C ATOM 0 H LEU A 26 9.905 -14.838 -14.455 1.00 0.00 H new ATOM 0 HA LEU A 26 12.112 -16.766 -14.894 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.310 -13.751 -14.650 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.592 -14.867 -15.075 1.00 0.00 H new ATOM 0 HG LEU A 26 11.155 -14.620 -16.827 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.339 -12.901 -18.135 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.967 -12.337 -16.489 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.621 -12.851 -16.902 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.759 -15.292 -18.570 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.057 -15.335 -17.354 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.695 -16.474 -17.241 1.00 0.00 H new ATOM 376 N LYS A 27 13.295 -15.688 -12.626 1.00 0.00 N ATOM 377 CA LYS A 27 13.681 -15.649 -11.220 1.00 0.00 C ATOM 378 C LYS A 27 13.790 -14.210 -10.726 1.00 0.00 C ATOM 379 O LYS A 27 13.772 -13.269 -11.519 1.00 0.00 O ATOM 380 CB LYS A 27 15.013 -16.373 -11.016 1.00 0.00 C ATOM 381 CG LYS A 27 14.866 -17.763 -10.423 1.00 0.00 C ATOM 382 CD LYS A 27 15.919 -18.715 -10.964 1.00 0.00 C ATOM 383 CE LYS A 27 15.494 -19.320 -12.293 1.00 0.00 C ATOM 384 NZ LYS A 27 16.623 -19.380 -13.262 1.00 0.00 N ATOM 0 H LYS A 27 14.077 -15.633 -13.279 1.00 0.00 H new ATOM 0 HA LYS A 27 12.908 -16.155 -10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.526 -16.449 -11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.646 -15.773 -10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.948 -17.707 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.873 -18.152 -10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.862 -18.183 -11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.097 -19.511 -10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.105 -20.324 -12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.682 -18.730 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.292 -19.798 -14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.979 -18.419 -13.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.388 -19.964 -12.868 1.00 0.00 H new ATOM 398 N SER A 28 13.906 -14.048 -9.412 1.00 0.00 N ATOM 399 CA SER A 28 14.016 -12.723 -8.812 1.00 0.00 C ATOM 400 C SER A 28 15.412 -12.145 -9.025 1.00 0.00 C ATOM 401 O SER A 28 15.571 -10.946 -9.252 1.00 0.00 O ATOM 402 CB SER A 28 13.702 -12.790 -7.316 1.00 0.00 C ATOM 403 OG SER A 28 13.642 -14.133 -6.867 1.00 0.00 O ATOM 0 H SER A 28 13.926 -14.817 -8.743 1.00 0.00 H new ATOM 0 HA SER A 28 13.293 -12.069 -9.299 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.466 -12.250 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.752 -12.294 -7.118 1.00 0.00 H new ATOM 0 HG SER A 28 13.442 -14.149 -5.908 1.00 0.00 H new ATOM 409 N SER A 29 16.420 -13.008 -8.950 1.00 0.00 N ATOM 410 CA SER A 29 17.804 -12.583 -9.131 1.00 0.00 C ATOM 411 C SER A 29 18.098 -12.302 -10.601 1.00 0.00 C ATOM 412 O SER A 29 18.930 -11.456 -10.928 1.00 0.00 O ATOM 413 CB SER A 29 18.761 -13.654 -8.603 1.00 0.00 C ATOM 414 OG SER A 29 18.692 -13.748 -7.191 1.00 0.00 O ATOM 0 H SER A 29 16.305 -14.005 -8.765 1.00 0.00 H new ATOM 0 HA SER A 29 17.953 -11.662 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.514 -14.618 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.781 -13.416 -8.905 1.00 0.00 H new ATOM 0 HG SER A 29 19.311 -14.440 -6.879 1.00 0.00 H new ATOM 420 N ASP A 30 17.410 -13.019 -11.483 1.00 0.00 N ATOM 421 CA ASP A 30 17.595 -12.847 -12.919 1.00 0.00 C ATOM 422 C ASP A 30 17.406 -11.387 -13.321 1.00 0.00 C ATOM 423 O ASP A 30 18.290 -10.779 -13.926 1.00 0.00 O ATOM 424 CB ASP A 30 16.616 -13.733 -13.691 1.00 0.00 C ATOM 425 CG ASP A 30 17.085 -15.171 -13.783 1.00 0.00 C ATOM 426 OD1 ASP A 30 18.198 -15.465 -13.297 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.340 -16.004 -14.339 1.00 0.00 O ATOM 0 H ASP A 30 16.719 -13.725 -11.228 1.00 0.00 H new ATOM 0 HA ASP A 30 18.614 -13.144 -13.167 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.641 -13.702 -13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.483 -13.332 -14.696 1.00 0.00 H new ATOM 432 N LEU A 31 16.248 -10.832 -12.982 1.00 0.00 N ATOM 433 CA LEU A 31 15.941 -9.443 -13.308 1.00 0.00 C ATOM 434 C LEU A 31 17.029 -8.509 -12.788 1.00 0.00 C ATOM 435 O LEU A 31 17.411 -7.552 -13.461 1.00 0.00 O ATOM 436 CB LEU A 31 14.587 -9.047 -12.717 1.00 0.00 C ATOM 437 CG LEU A 31 13.361 -9.364 -13.575 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.328 -8.475 -14.808 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.356 -10.833 -13.974 1.00 0.00 C ATOM 0 H LEU A 31 15.506 -11.322 -12.482 1.00 0.00 H new ATOM 0 HA LEU A 31 15.897 -9.351 -14.393 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.472 -9.548 -11.756 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.599 -7.975 -12.518 1.00 0.00 H new ATOM 0 HG LEU A 31 12.466 -9.165 -12.985 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.449 -8.715 -15.406 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.284 -7.430 -14.502 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.227 -8.642 -15.401 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.477 -11.041 -14.584 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.256 -11.058 -14.546 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.331 -11.453 -13.078 1.00 0.00 H new ATOM 451 N GLU A 32 17.524 -8.795 -11.588 1.00 0.00 N ATOM 452 CA GLU A 32 18.569 -7.980 -10.980 1.00 0.00 C ATOM 453 C GLU A 32 19.831 -7.985 -11.837 1.00 0.00 C ATOM 454 O GLU A 32 20.583 -7.011 -11.858 1.00 0.00 O ATOM 455 CB GLU A 32 18.891 -8.491 -9.574 1.00 0.00 C ATOM 456 CG GLU A 32 17.810 -8.183 -8.552 1.00 0.00 C ATOM 457 CD GLU A 32 18.378 -7.830 -7.191 1.00 0.00 C ATOM 458 OE1 GLU A 32 18.940 -6.723 -7.051 1.00 0.00 O ATOM 459 OE2 GLU A 32 18.259 -8.660 -6.265 1.00 0.00 O ATOM 0 H GLU A 32 17.219 -9.584 -11.018 1.00 0.00 H new ATOM 0 HA GLU A 32 18.202 -6.956 -10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 32 19.044 -9.569 -9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.830 -8.048 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.199 -7.355 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.151 -9.046 -8.454 1.00 0.00 H new ATOM 466 N GLN A 33 20.057 -9.090 -12.541 1.00 0.00 N ATOM 467 CA GLN A 33 21.228 -9.222 -13.398 1.00 0.00 C ATOM 468 C GLN A 33 21.165 -8.239 -14.563 1.00 0.00 C ATOM 469 O GLN A 33 22.195 -7.825 -15.096 1.00 0.00 O ATOM 470 CB GLN A 33 21.339 -10.653 -13.929 1.00 0.00 C ATOM 471 CG GLN A 33 22.628 -10.922 -14.689 1.00 0.00 C ATOM 472 CD GLN A 33 23.740 -11.427 -13.791 1.00 0.00 C ATOM 473 OE1 GLN A 33 23.593 -12.446 -13.114 1.00 0.00 O ATOM 474 NE2 GLN A 33 24.862 -10.717 -13.780 1.00 0.00 N ATOM 0 H GLN A 33 19.445 -9.906 -12.534 1.00 0.00 H new ATOM 0 HA GLN A 33 22.111 -8.993 -12.801 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.268 -11.348 -13.093 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.492 -10.855 -14.584 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.437 -11.656 -15.472 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.952 -10.006 -15.182 1.00 0.00 H new ATOM 0 HE21 GLN A 33 24.941 -9.879 -14.356 1.00 0.00 H new ATOM 0 HE22 GLN A 33 25.645 -11.009 -13.195 1.00 0.00 H new ATOM 483 N LEU A 34 19.950 -7.870 -14.953 1.00 0.00 N ATOM 484 CA LEU A 34 19.752 -6.935 -16.055 1.00 0.00 C ATOM 485 C LEU A 34 20.064 -5.506 -15.620 1.00 0.00 C ATOM 486 O LEU A 34 20.387 -5.257 -14.459 1.00 0.00 O ATOM 487 CB LEU A 34 18.314 -7.021 -16.571 1.00 0.00 C ATOM 488 CG LEU A 34 17.855 -8.398 -17.050 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.347 -8.536 -16.909 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.281 -8.631 -18.492 1.00 0.00 C ATOM 0 H LEU A 34 19.087 -8.204 -14.523 1.00 0.00 H new ATOM 0 HA LEU A 34 20.437 -7.208 -16.858 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.644 -6.693 -15.777 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.202 -6.316 -17.395 1.00 0.00 H new ATOM 0 HG LEU A 34 18.329 -9.155 -16.426 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.038 -9.522 -17.255 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.067 -8.414 -15.863 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.854 -7.771 -17.508 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.946 -9.616 -18.816 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.836 -7.868 -19.131 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.367 -8.576 -18.564 1.00 0.00 H new ATOM 502 N ARG A 35 19.963 -4.572 -16.560 1.00 0.00 N ATOM 503 CA ARG A 35 20.233 -3.168 -16.274 1.00 0.00 C ATOM 504 C ARG A 35 19.145 -2.576 -15.381 1.00 0.00 C ATOM 505 O ARG A 35 18.000 -3.027 -15.398 1.00 0.00 O ATOM 506 CB ARG A 35 20.330 -2.370 -17.575 1.00 0.00 C ATOM 507 CG ARG A 35 21.658 -1.652 -17.751 1.00 0.00 C ATOM 508 CD ARG A 35 22.132 -1.703 -19.195 1.00 0.00 C ATOM 509 NE ARG A 35 23.399 -1.001 -19.381 1.00 0.00 N ATOM 510 CZ ARG A 35 24.145 -1.108 -20.475 1.00 0.00 C ATOM 511 NH1 ARG A 35 23.753 -1.885 -21.475 1.00 0.00 N ATOM 512 NH2 ARG A 35 25.286 -0.437 -20.570 1.00 0.00 N ATOM 0 H ARG A 35 19.696 -4.762 -17.526 1.00 0.00 H new ATOM 0 HA ARG A 35 21.185 -3.107 -15.747 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.177 -3.045 -18.417 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.524 -1.637 -17.603 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.556 -0.613 -17.437 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.408 -2.108 -17.104 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.245 -2.743 -19.503 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.374 -1.260 -19.841 1.00 0.00 H new ATOM 0 HE ARG A 35 23.729 -0.395 -18.630 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.877 -2.402 -21.406 1.00 0.00 H new ATOM 0 HH12 ARG A 35 24.328 -1.965 -22.314 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.591 0.162 -19.803 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.858 -0.520 -21.410 1.00 0.00 H new ATOM 526 N LYS A 36 19.512 -1.564 -14.602 1.00 0.00 N ATOM 527 CA LYS A 36 18.570 -0.909 -13.703 1.00 0.00 C ATOM 528 C LYS A 36 18.117 0.432 -14.272 1.00 0.00 C ATOM 529 O LYS A 36 18.740 1.464 -14.022 1.00 0.00 O ATOM 530 CB LYS A 36 19.205 -0.703 -12.327 1.00 0.00 C ATOM 531 CG LYS A 36 19.518 -1.999 -11.600 1.00 0.00 C ATOM 532 CD LYS A 36 18.395 -2.394 -10.656 1.00 0.00 C ATOM 533 CE LYS A 36 17.586 -3.558 -11.208 1.00 0.00 C ATOM 534 NZ LYS A 36 16.816 -4.254 -10.140 1.00 0.00 N ATOM 0 H LYS A 36 20.456 -1.179 -14.575 1.00 0.00 H new ATOM 0 HA LYS A 36 17.697 -1.553 -13.600 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.125 -0.130 -12.443 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.533 -0.105 -11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 36 19.680 -2.795 -12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.445 -1.887 -11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.812 -2.667 -9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.739 -1.539 -10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.899 -3.193 -11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.256 -4.268 -11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.010 -4.756 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.433 -4.937 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.466 -3.556 -9.453 1.00 0.00 H new ATOM 782 N VAL A 51 12.641 -0.199 -13.493 1.00 0.00 N ATOM 783 CA VAL A 51 11.912 -0.876 -14.559 1.00 0.00 C ATOM 784 C VAL A 51 12.868 -1.576 -15.519 1.00 0.00 C ATOM 785 O VAL A 51 14.087 -1.499 -15.364 1.00 0.00 O ATOM 786 CB VAL A 51 11.036 0.111 -15.353 1.00 0.00 C ATOM 787 CG1 VAL A 51 9.818 0.519 -14.539 1.00 0.00 C ATOM 788 CG2 VAL A 51 11.846 1.332 -15.764 1.00 0.00 C ATOM 0 HA VAL A 51 11.271 -1.618 -14.083 1.00 0.00 H new ATOM 0 HB VAL A 51 10.688 -0.387 -16.258 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.211 1.216 -15.117 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.227 -0.365 -14.301 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.142 0.999 -13.615 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.211 2.018 -16.324 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.226 1.833 -14.874 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.683 1.020 -16.389 1.00 0.00 H new ATOM 798 N TYR A 52 12.306 -2.258 -16.511 1.00 0.00 N ATOM 799 CA TYR A 52 13.108 -2.974 -17.496 1.00 0.00 C ATOM 800 C TYR A 52 12.544 -2.783 -18.900 1.00 0.00 C ATOM 801 O TYR A 52 11.460 -2.226 -19.077 1.00 0.00 O ATOM 802 CB TYR A 52 13.162 -4.464 -17.154 1.00 0.00 C ATOM 803 CG TYR A 52 13.573 -4.744 -15.726 1.00 0.00 C ATOM 804 CD1 TYR A 52 14.858 -4.455 -15.283 1.00 0.00 C ATOM 805 CD2 TYR A 52 12.677 -5.297 -14.820 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.238 -4.709 -13.979 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.047 -5.553 -13.514 1.00 0.00 C ATOM 808 CZ TYR A 52 14.329 -5.257 -13.099 1.00 0.00 C ATOM 809 OH TYR A 52 14.703 -5.512 -11.799 1.00 0.00 O ATOM 0 H TYR A 52 11.299 -2.330 -16.654 1.00 0.00 H new ATOM 0 HA TYR A 52 14.118 -2.565 -17.471 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.182 -4.905 -17.334 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.862 -4.958 -17.828 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.572 -4.025 -15.970 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.673 -5.531 -15.142 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.241 -4.480 -13.651 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.337 -5.982 -12.822 1.00 0.00 H new ATOM 0 HH TYR A 52 13.946 -5.897 -11.310 1.00 0.00 H new ATOM 819 N LEU A 53 13.287 -3.250 -19.897 1.00 0.00 N ATOM 820 CA LEU A 53 12.863 -3.133 -21.288 1.00 0.00 C ATOM 821 C LEU A 53 12.277 -4.448 -21.792 1.00 0.00 C ATOM 822 O LEU A 53 12.848 -5.516 -21.576 1.00 0.00 O ATOM 823 CB LEU A 53 14.043 -2.717 -22.169 1.00 0.00 C ATOM 824 CG LEU A 53 14.108 -1.237 -22.549 1.00 0.00 C ATOM 825 CD1 LEU A 53 12.942 -0.867 -23.452 1.00 0.00 C ATOM 826 CD2 LEU A 53 14.117 -0.366 -21.302 1.00 0.00 C ATOM 0 H LEU A 53 14.186 -3.713 -19.768 1.00 0.00 H new ATOM 0 HA LEU A 53 12.089 -2.367 -21.342 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.966 -2.980 -21.653 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.012 -3.306 -23.086 1.00 0.00 H new ATOM 0 HG LEU A 53 15.034 -1.062 -23.096 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.004 0.190 -23.712 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.981 -1.468 -24.361 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.004 -1.057 -22.931 1.00 0.00 H new ATOM 0 HD21 LEU A 53 14.164 0.684 -21.592 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.208 -0.544 -20.727 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.986 -0.613 -20.692 1.00 0.00 H new ATOM 838 N ARG A 54 11.134 -4.361 -22.465 1.00 0.00 N ATOM 839 CA ARG A 54 10.471 -5.543 -23.000 1.00 0.00 C ATOM 840 C ARG A 54 11.390 -6.294 -23.960 1.00 0.00 C ATOM 841 O ARG A 54 11.256 -7.504 -24.144 1.00 0.00 O ATOM 842 CB ARG A 54 9.179 -5.149 -23.718 1.00 0.00 C ATOM 843 CG ARG A 54 8.024 -6.103 -23.462 1.00 0.00 C ATOM 844 CD ARG A 54 6.681 -5.402 -23.597 1.00 0.00 C ATOM 845 NE ARG A 54 6.243 -5.324 -24.988 1.00 0.00 N ATOM 846 CZ ARG A 54 5.227 -4.572 -25.398 1.00 0.00 C ATOM 847 NH1 ARG A 54 4.549 -3.837 -24.527 1.00 0.00 N ATOM 848 NH2 ARG A 54 4.888 -4.554 -26.680 1.00 0.00 N ATOM 0 H ARG A 54 10.648 -3.484 -22.652 1.00 0.00 H new ATOM 0 HA ARG A 54 10.229 -6.201 -22.166 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.889 -4.147 -23.401 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.369 -5.102 -24.790 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.074 -6.934 -24.166 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.116 -6.527 -22.462 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.933 -5.935 -23.011 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.753 -4.396 -23.183 1.00 0.00 H new ATOM 0 HE ARG A 54 6.744 -5.877 -25.683 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.807 -3.848 -23.540 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.769 -3.260 -24.844 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.407 -5.118 -27.353 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.108 -3.976 -26.993 1.00 0.00 H new ATOM 862 N SER A 55 12.321 -5.568 -24.569 1.00 0.00 N ATOM 863 CA SER A 55 13.259 -6.165 -25.513 1.00 0.00 C ATOM 864 C SER A 55 14.400 -6.862 -24.778 1.00 0.00 C ATOM 865 O SER A 55 14.955 -7.847 -25.265 1.00 0.00 O ATOM 866 CB SER A 55 13.821 -5.095 -26.451 1.00 0.00 C ATOM 867 OG SER A 55 13.456 -5.353 -27.796 1.00 0.00 O ATOM 0 H SER A 55 12.446 -4.566 -24.426 1.00 0.00 H new ATOM 0 HA SER A 55 12.721 -6.908 -26.101 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.451 -4.114 -26.152 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.907 -5.066 -26.365 1.00 0.00 H new ATOM 0 HG SER A 55 13.826 -4.654 -28.375 1.00 0.00 H new ATOM 873 N ASP A 56 14.743 -6.344 -23.604 1.00 0.00 N ATOM 874 CA ASP A 56 15.816 -6.917 -22.800 1.00 0.00 C ATOM 875 C ASP A 56 15.330 -8.150 -22.044 1.00 0.00 C ATOM 876 O ASP A 56 15.995 -9.186 -22.034 1.00 0.00 O ATOM 877 CB ASP A 56 16.354 -5.878 -21.815 1.00 0.00 C ATOM 878 CG ASP A 56 17.335 -4.921 -22.461 1.00 0.00 C ATOM 879 OD1 ASP A 56 17.800 -5.214 -23.583 1.00 0.00 O ATOM 880 OD2 ASP A 56 17.638 -3.877 -21.846 1.00 0.00 O ATOM 0 H ASP A 56 14.294 -5.528 -23.188 1.00 0.00 H new ATOM 0 HA ASP A 56 16.619 -7.219 -23.472 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.521 -5.313 -21.397 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.842 -6.388 -20.984 1.00 0.00 H new ATOM 885 N VAL A 57 14.167 -8.030 -21.412 1.00 0.00 N ATOM 886 CA VAL A 57 13.592 -9.134 -20.653 1.00 0.00 C ATOM 887 C VAL A 57 13.363 -10.351 -21.542 1.00 0.00 C ATOM 888 O VAL A 57 13.399 -11.489 -21.075 1.00 0.00 O ATOM 889 CB VAL A 57 12.258 -8.731 -19.999 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.756 -9.837 -19.083 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.413 -7.424 -19.235 1.00 0.00 C ATOM 0 H VAL A 57 13.604 -7.179 -21.411 1.00 0.00 H new ATOM 0 HA VAL A 57 14.308 -9.388 -19.872 1.00 0.00 H new ATOM 0 HB VAL A 57 11.519 -8.580 -20.786 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.812 -9.534 -18.630 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.604 -10.748 -19.662 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.491 -10.023 -18.300 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.461 -7.154 -18.779 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.167 -7.545 -18.457 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.723 -6.636 -19.921 1.00 0.00 H new ATOM 901 N GLU A 58 13.126 -10.103 -22.827 1.00 0.00 N ATOM 902 CA GLU A 58 12.890 -11.179 -23.781 1.00 0.00 C ATOM 903 C GLU A 58 14.054 -12.165 -23.788 1.00 0.00 C ATOM 904 O GLU A 58 13.876 -13.354 -23.524 1.00 0.00 O ATOM 905 CB GLU A 58 12.682 -10.609 -25.186 1.00 0.00 C ATOM 906 CG GLU A 58 12.346 -11.663 -26.227 1.00 0.00 C ATOM 907 CD GLU A 58 12.093 -11.068 -27.599 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.376 -10.048 -27.680 1.00 0.00 O ATOM 909 OE2 GLU A 58 12.613 -11.621 -28.591 1.00 0.00 O ATOM 0 H GLU A 58 13.093 -9.167 -23.230 1.00 0.00 H new ATOM 0 HA GLU A 58 11.988 -11.710 -23.475 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.879 -9.872 -25.155 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.586 -10.083 -25.493 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.165 -12.379 -26.291 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.463 -12.216 -25.907 1.00 0.00 H new ATOM 916 N ALA A 59 15.246 -11.662 -24.093 1.00 0.00 N ATOM 917 CA ALA A 59 16.440 -12.498 -24.133 1.00 0.00 C ATOM 918 C ALA A 59 16.616 -13.267 -22.828 1.00 0.00 C ATOM 919 O ALA A 59 17.029 -14.427 -22.830 1.00 0.00 O ATOM 920 CB ALA A 59 17.670 -11.647 -24.416 1.00 0.00 C ATOM 0 H ALA A 59 15.410 -10.680 -24.316 1.00 0.00 H new ATOM 0 HA ALA A 59 16.319 -13.223 -24.938 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.554 -12.284 -24.443 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.553 -11.147 -25.377 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.784 -10.900 -23.630 1.00 0.00 H new ATOM 926 N LYS A 60 16.300 -12.615 -21.715 1.00 0.00 N ATOM 927 CA LYS A 60 16.422 -13.238 -20.402 1.00 0.00 C ATOM 928 C LYS A 60 15.549 -14.485 -20.308 1.00 0.00 C ATOM 929 O LYS A 60 15.845 -15.406 -19.547 1.00 0.00 O ATOM 930 CB LYS A 60 16.030 -12.245 -19.306 1.00 0.00 C ATOM 931 CG LYS A 60 16.124 -12.819 -17.903 1.00 0.00 C ATOM 932 CD LYS A 60 17.534 -13.289 -17.586 1.00 0.00 C ATOM 933 CE LYS A 60 18.523 -12.134 -17.600 1.00 0.00 C ATOM 934 NZ LYS A 60 19.860 -12.542 -17.086 1.00 0.00 N ATOM 0 H LYS A 60 15.957 -11.655 -21.695 1.00 0.00 H new ATOM 0 HA LYS A 60 17.462 -13.533 -20.263 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.674 -11.368 -19.375 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.009 -11.906 -19.483 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.820 -12.063 -17.179 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.430 -13.654 -17.803 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.547 -13.769 -16.607 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.840 -14.041 -18.314 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.625 -11.756 -18.617 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.135 -11.316 -16.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.594 -11.938 -17.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.880 -12.439 -16.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.041 -13.534 -17.339 1.00 0.00 H new ATOM 948 N SER A 61 14.473 -14.509 -21.088 1.00 0.00 N ATOM 949 CA SER A 61 13.556 -15.643 -21.091 1.00 0.00 C ATOM 950 C SER A 61 14.062 -16.749 -22.012 1.00 0.00 C ATOM 951 O SER A 61 13.750 -17.925 -21.819 1.00 0.00 O ATOM 952 CB SER A 61 12.160 -15.196 -21.531 1.00 0.00 C ATOM 953 OG SER A 61 11.896 -15.591 -22.866 1.00 0.00 O ATOM 0 H SER A 61 14.215 -13.756 -21.726 1.00 0.00 H new ATOM 0 HA SER A 61 13.501 -16.036 -20.076 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.411 -15.626 -20.866 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.078 -14.112 -21.446 1.00 0.00 H new ATOM 0 HG SER A 61 12.403 -15.022 -23.482 1.00 0.00 H new ATOM 959 N LEU A 62 14.845 -16.363 -23.014 1.00 0.00 N ATOM 960 CA LEU A 62 15.395 -17.321 -23.966 1.00 0.00 C ATOM 961 C LEU A 62 16.624 -18.017 -23.390 1.00 0.00 C ATOM 962 O LEU A 62 16.870 -19.191 -23.665 1.00 0.00 O ATOM 963 CB LEU A 62 15.761 -16.617 -25.274 1.00 0.00 C ATOM 964 CG LEU A 62 14.715 -15.649 -25.830 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.151 -15.113 -27.185 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.360 -16.332 -25.936 1.00 0.00 C ATOM 0 H LEU A 62 15.113 -15.394 -23.188 1.00 0.00 H new ATOM 0 HA LEU A 62 14.633 -18.075 -24.166 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.690 -16.068 -25.120 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.961 -17.377 -26.029 1.00 0.00 H new ATOM 0 HG LEU A 62 14.623 -14.809 -25.142 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.395 -14.426 -27.565 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.100 -14.586 -27.080 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.272 -15.942 -27.882 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.628 -15.629 -26.333 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.437 -17.191 -26.603 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.043 -16.666 -24.948 1.00 0.00 H new ATOM 978 N GLU A 63 17.391 -17.285 -22.587 1.00 0.00 N ATOM 979 CA GLU A 63 18.593 -17.834 -21.971 1.00 0.00 C ATOM 980 C GLU A 63 18.235 -18.786 -20.833 1.00 0.00 C ATOM 981 O GLU A 63 19.008 -19.681 -20.491 1.00 0.00 O ATOM 982 CB GLU A 63 19.484 -16.706 -21.446 1.00 0.00 C ATOM 983 CG GLU A 63 18.943 -16.035 -20.195 1.00 0.00 C ATOM 984 CD GLU A 63 19.677 -16.463 -18.940 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.948 -17.673 -18.795 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.980 -15.588 -18.102 1.00 0.00 O ATOM 0 H GLU A 63 17.201 -16.312 -22.348 1.00 0.00 H new ATOM 0 HA GLU A 63 19.137 -18.393 -22.732 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.475 -17.106 -21.233 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.604 -15.956 -22.227 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.020 -14.953 -20.305 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.884 -16.270 -20.090 1.00 0.00 H new ATOM 993 N VAL A 64 17.058 -18.585 -20.250 1.00 0.00 N ATOM 994 CA VAL A 64 16.596 -19.425 -19.151 1.00 0.00 C ATOM 995 C VAL A 64 15.813 -20.626 -19.668 1.00 0.00 C ATOM 996 O VAL A 64 16.301 -21.756 -19.642 1.00 0.00 O ATOM 997 CB VAL A 64 15.711 -18.631 -18.172 1.00 0.00 C ATOM 998 CG1 VAL A 64 15.195 -19.537 -17.064 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.480 -17.453 -17.593 1.00 0.00 C ATOM 0 H VAL A 64 16.407 -17.848 -20.520 1.00 0.00 H new ATOM 0 HA VAL A 64 17.484 -19.774 -18.625 1.00 0.00 H new ATOM 0 HB VAL A 64 14.853 -18.241 -18.720 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.572 -18.959 -16.382 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.605 -20.344 -17.499 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.038 -19.958 -16.516 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.839 -16.904 -16.904 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.358 -17.818 -17.060 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.795 -16.792 -18.400 1.00 0.00 H new ATOM 1009 N TRP A 65 14.597 -20.374 -20.138 1.00 0.00 N ATOM 1010 CA TRP A 65 13.745 -21.435 -20.662 1.00 0.00 C ATOM 1011 C TRP A 65 14.400 -22.118 -21.858 1.00 0.00 C ATOM 1012 O TRP A 65 14.123 -23.280 -22.150 1.00 0.00 O ATOM 1013 CB TRP A 65 12.382 -20.871 -21.066 1.00 0.00 C ATOM 1014 CG TRP A 65 11.446 -20.694 -19.908 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.255 -19.557 -19.176 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.577 -21.684 -19.350 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.319 -19.782 -18.195 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.887 -21.078 -18.281 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.312 -23.023 -19.649 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.952 -21.767 -17.513 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.385 -23.706 -18.885 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.713 -23.077 -17.828 1.00 0.00 C ATOM 0 H TRP A 65 14.179 -19.444 -20.167 1.00 0.00 H new ATOM 0 HA TRP A 65 13.605 -22.176 -19.875 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.526 -19.909 -21.558 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.923 -21.537 -21.797 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.764 -18.619 -19.343 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.998 -19.094 -17.513 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.823 -23.516 -20.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.434 -21.285 -16.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.175 -24.742 -19.106 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.992 -23.637 -17.251 1.00 0.00 H new ATOM 1033 N GLY A 66 15.272 -21.388 -22.547 1.00 0.00 N ATOM 1034 CA GLY A 66 15.953 -21.941 -23.703 1.00 0.00 C ATOM 1035 C GLY A 66 15.474 -21.330 -25.005 1.00 0.00 C ATOM 1036 O GLY A 66 16.274 -21.039 -25.894 1.00 0.00 O ATOM 0 H GLY A 66 15.519 -20.424 -22.325 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.026 -21.777 -23.601 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.796 -23.019 -23.732 1.00 0.00 H new ATOM 1040 N SER A 67 14.164 -21.137 -25.120 1.00 0.00 N ATOM 1041 CA SER A 67 13.578 -20.562 -26.325 1.00 0.00 C ATOM 1042 C SER A 67 12.240 -19.897 -26.016 1.00 0.00 C ATOM 1043 O SER A 67 11.604 -20.169 -24.997 1.00 0.00 O ATOM 1044 CB SER A 67 13.389 -21.643 -27.391 1.00 0.00 C ATOM 1045 OG SER A 67 14.131 -22.808 -27.074 1.00 0.00 O ATOM 0 H SER A 67 13.488 -21.371 -24.393 1.00 0.00 H new ATOM 0 HA SER A 67 14.262 -19.802 -26.704 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.332 -21.894 -27.476 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.705 -21.260 -28.362 1.00 0.00 H new ATOM 0 HG SER A 67 13.992 -23.484 -27.770 1.00 0.00 H new ATOM 1051 N PRO A 68 11.803 -19.004 -26.915 1.00 0.00 N ATOM 1052 CA PRO A 68 10.537 -18.281 -26.761 1.00 0.00 C ATOM 1053 C PRO A 68 9.325 -19.191 -26.931 1.00 0.00 C ATOM 1054 O PRO A 68 8.215 -18.843 -26.529 1.00 0.00 O ATOM 1055 CB PRO A 68 10.584 -17.240 -27.882 1.00 0.00 C ATOM 1056 CG PRO A 68 11.487 -17.830 -28.910 1.00 0.00 C ATOM 1057 CD PRO A 68 12.510 -18.630 -28.152 1.00 0.00 C ATOM 0 HA PRO A 68 10.432 -17.851 -25.765 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.591 -17.052 -28.289 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.966 -16.286 -27.520 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.931 -18.463 -29.601 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.963 -17.051 -29.505 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.830 -19.508 -28.713 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.404 -18.043 -27.942 1.00 0.00 H new ATOM 1065 N GLU A 69 9.546 -20.359 -27.527 1.00 0.00 N ATOM 1066 CA GLU A 69 8.471 -21.318 -27.750 1.00 0.00 C ATOM 1067 C GLU A 69 8.082 -22.011 -26.447 1.00 0.00 C ATOM 1068 O GLU A 69 6.934 -22.412 -26.264 1.00 0.00 O ATOM 1069 CB GLU A 69 8.894 -22.360 -28.787 1.00 0.00 C ATOM 1070 CG GLU A 69 9.028 -21.800 -30.193 1.00 0.00 C ATOM 1071 CD GLU A 69 10.385 -22.081 -30.807 1.00 0.00 C ATOM 1072 OE1 GLU A 69 10.786 -23.264 -30.842 1.00 0.00 O ATOM 1073 OE2 GLU A 69 11.047 -21.120 -31.252 1.00 0.00 O ATOM 0 H GLU A 69 10.459 -20.663 -27.864 1.00 0.00 H new ATOM 0 HA GLU A 69 7.605 -20.773 -28.125 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.847 -22.794 -28.486 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.164 -23.169 -28.795 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.251 -22.229 -30.826 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.861 -20.723 -30.168 1.00 0.00 H new ATOM 1080 N ALA A 70 9.049 -22.148 -25.545 1.00 0.00 N ATOM 1081 CA ALA A 70 8.808 -22.790 -24.259 1.00 0.00 C ATOM 1082 C ALA A 70 7.910 -21.931 -23.375 1.00 0.00 C ATOM 1083 O ALA A 70 6.986 -22.434 -22.735 1.00 0.00 O ATOM 1084 CB ALA A 70 10.127 -23.074 -23.556 1.00 0.00 C ATOM 0 H ALA A 70 10.006 -21.823 -25.682 1.00 0.00 H new ATOM 0 HA ALA A 70 8.296 -23.734 -24.443 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.932 -23.554 -22.597 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.734 -23.734 -24.175 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.661 -22.138 -23.392 1.00 0.00 H new ATOM 1090 N LEU A 71 8.187 -20.632 -23.344 1.00 0.00 N ATOM 1091 CA LEU A 71 7.405 -19.702 -22.538 1.00 0.00 C ATOM 1092 C LEU A 71 6.020 -19.489 -23.143 1.00 0.00 C ATOM 1093 O LEU A 71 5.024 -19.406 -22.424 1.00 0.00 O ATOM 1094 CB LEU A 71 8.133 -18.362 -22.418 1.00 0.00 C ATOM 1095 CG LEU A 71 7.332 -17.215 -21.800 1.00 0.00 C ATOM 1096 CD1 LEU A 71 7.040 -17.497 -20.335 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.080 -15.899 -21.953 1.00 0.00 C ATOM 0 H LEU A 71 8.948 -20.199 -23.868 1.00 0.00 H new ATOM 0 HA LEU A 71 7.285 -20.133 -21.544 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.033 -18.512 -21.822 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.457 -18.057 -23.413 1.00 0.00 H new ATOM 0 HG LEU A 71 6.383 -17.134 -22.329 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.469 -16.670 -19.912 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.463 -18.418 -20.250 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.978 -17.606 -19.791 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.495 -15.094 -21.508 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.044 -15.968 -21.450 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.237 -15.691 -23.011 1.00 0.00 H new ATOM 1109 N ALA A 72 5.966 -19.402 -24.468 1.00 0.00 N ATOM 1110 CA ALA A 72 4.704 -19.203 -25.169 1.00 0.00 C ATOM 1111 C ALA A 72 3.680 -20.260 -24.768 1.00 0.00 C ATOM 1112 O ALA A 72 2.475 -20.008 -24.782 1.00 0.00 O ATOM 1113 CB ALA A 72 4.927 -19.227 -26.674 1.00 0.00 C ATOM 0 H ALA A 72 6.782 -19.466 -25.077 1.00 0.00 H new ATOM 0 HA ALA A 72 4.310 -18.227 -24.886 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.976 -19.077 -27.185 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.618 -18.431 -26.952 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.347 -20.190 -26.964 1.00 0.00 H new ATOM 1119 N ARG A 73 4.168 -21.444 -24.411 1.00 0.00 N ATOM 1120 CA ARG A 73 3.295 -22.539 -24.007 1.00 0.00 C ATOM 1121 C ARG A 73 2.336 -22.094 -22.907 1.00 0.00 C ATOM 1122 O ARG A 73 1.183 -22.521 -22.865 1.00 0.00 O ATOM 1123 CB ARG A 73 4.125 -23.730 -23.524 1.00 0.00 C ATOM 1124 CG ARG A 73 5.091 -24.264 -24.569 1.00 0.00 C ATOM 1125 CD ARG A 73 4.657 -25.628 -25.083 1.00 0.00 C ATOM 1126 NE ARG A 73 5.480 -26.078 -26.202 1.00 0.00 N ATOM 1127 CZ ARG A 73 6.739 -26.481 -26.072 1.00 0.00 C ATOM 1128 NH1 ARG A 73 7.316 -26.491 -24.879 1.00 0.00 N ATOM 1129 NH2 ARG A 73 7.424 -26.877 -27.138 1.00 0.00 N ATOM 0 H ARG A 73 5.163 -21.669 -24.393 1.00 0.00 H new ATOM 0 HA ARG A 73 2.709 -22.841 -24.875 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.688 -23.434 -22.639 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.452 -24.532 -23.221 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.152 -23.563 -25.401 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.090 -24.337 -24.139 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.716 -26.356 -24.274 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.614 -25.583 -25.395 1.00 0.00 H new ATOM 0 HE ARG A 73 5.066 -26.083 -27.134 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.793 -26.189 -24.057 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.283 -26.801 -24.783 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.984 -26.872 -28.058 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.391 -27.186 -27.037 1.00 0.00 H new ATOM 1143 N GLU A 74 2.822 -21.233 -22.019 1.00 0.00 N ATOM 1144 CA GLU A 74 2.008 -20.731 -20.918 1.00 0.00 C ATOM 1145 C GLU A 74 1.297 -19.439 -21.312 1.00 0.00 C ATOM 1146 O GLU A 74 0.159 -19.195 -20.908 1.00 0.00 O ATOM 1147 CB GLU A 74 2.876 -20.491 -19.681 1.00 0.00 C ATOM 1148 CG GLU A 74 3.000 -21.708 -18.780 1.00 0.00 C ATOM 1149 CD GLU A 74 1.781 -21.911 -17.902 1.00 0.00 C ATOM 1150 OE1 GLU A 74 1.624 -21.157 -16.919 1.00 0.00 O ATOM 1151 OE2 GLU A 74 0.983 -22.826 -18.198 1.00 0.00 O ATOM 0 H GLU A 74 3.774 -20.869 -22.040 1.00 0.00 H new ATOM 0 HA GLU A 74 1.255 -21.483 -20.684 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.872 -20.183 -20.000 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.455 -19.665 -19.107 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.153 -22.596 -19.394 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.883 -21.600 -18.150 1.00 0.00 H new ATOM 1158 N LYS A 75 1.975 -18.615 -22.103 1.00 0.00 N ATOM 1159 CA LYS A 75 1.410 -17.348 -22.553 1.00 0.00 C ATOM 1160 C LYS A 75 0.113 -17.574 -23.323 1.00 0.00 C ATOM 1161 O LYS A 75 -0.835 -16.798 -23.204 1.00 0.00 O ATOM 1162 CB LYS A 75 2.416 -16.603 -23.434 1.00 0.00 C ATOM 1163 CG LYS A 75 3.760 -16.375 -22.765 1.00 0.00 C ATOM 1164 CD LYS A 75 3.950 -14.918 -22.376 1.00 0.00 C ATOM 1165 CE LYS A 75 3.367 -14.627 -21.002 1.00 0.00 C ATOM 1166 NZ LYS A 75 2.100 -13.849 -21.090 1.00 0.00 N ATOM 0 H LYS A 75 2.917 -18.802 -22.446 1.00 0.00 H new ATOM 0 HA LYS A 75 1.189 -16.744 -21.673 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.569 -17.168 -24.354 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.993 -15.639 -23.718 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.836 -17.002 -21.877 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.560 -16.679 -23.440 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.013 -14.675 -22.380 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.473 -14.277 -23.118 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.181 -15.566 -20.480 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.094 -14.071 -20.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.503 -14.063 -20.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.317 -12.832 -21.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.594 -14.108 -21.961 1.00 0.00 H new