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 -170:sc= 0.108 USER MOD Single : A 22 ASN : amide:sc= 0.0496 X(o=0.05,f=-0.13) USER MOD Single : A 25 CYS SG : rot 27:sc= 0.731 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=-0.16) 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+ 154:sc= 0.176 (180deg=0.0342) USER MOD Single : A 61 SER OG : rot -77:sc= 0.0796 USER MOD Single : A 67 SER OG : rot 180:sc= -0.157 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc=-0.00936 (180deg=-0.26) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 8.312 0.852 -21.226 1.00 0.00 N ATOM 169 CA PHE A 14 8.995 0.168 -20.134 1.00 0.00 C ATOM 170 C PHE A 14 8.058 -0.813 -19.436 1.00 0.00 C ATOM 171 O PHE A 14 6.845 -0.606 -19.393 1.00 0.00 O ATOM 172 CB PHE A 14 9.531 1.185 -19.124 1.00 0.00 C ATOM 173 CG PHE A 14 10.555 2.121 -19.701 1.00 0.00 C ATOM 174 CD1 PHE A 14 10.166 3.198 -20.480 1.00 0.00 C ATOM 175 CD2 PHE A 14 11.905 1.923 -19.464 1.00 0.00 C ATOM 176 CE1 PHE A 14 11.106 4.060 -21.013 1.00 0.00 C ATOM 177 CE2 PHE A 14 12.850 2.782 -19.994 1.00 0.00 C ATOM 178 CZ PHE A 14 12.449 3.853 -20.769 1.00 0.00 C ATOM 0 HA PHE A 14 9.830 -0.392 -20.555 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.698 1.768 -18.731 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.972 0.651 -18.282 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.117 3.366 -20.673 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.223 1.088 -18.858 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.790 4.895 -21.620 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.900 2.616 -19.802 1.00 0.00 H new ATOM 0 HZ PHE A 14 13.184 4.527 -21.183 1.00 0.00 H new ATOM 188 N ILE A 15 8.630 -1.882 -18.891 1.00 0.00 N ATOM 189 CA ILE A 15 7.847 -2.895 -18.195 1.00 0.00 C ATOM 190 C ILE A 15 8.301 -3.041 -16.746 1.00 0.00 C ATOM 191 O ILE A 15 9.496 -3.009 -16.452 1.00 0.00 O ATOM 192 CB ILE A 15 7.948 -4.263 -18.893 1.00 0.00 C ATOM 193 CG1 ILE A 15 6.979 -5.260 -18.254 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.375 -4.787 -18.827 1.00 0.00 C ATOM 195 CD1 ILE A 15 6.983 -6.619 -18.919 1.00 0.00 C ATOM 0 H ILE A 15 9.632 -2.068 -18.918 1.00 0.00 H new ATOM 0 HA ILE A 15 6.809 -2.562 -18.217 1.00 0.00 H new ATOM 0 HB ILE A 15 7.674 -4.140 -19.941 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.235 -5.379 -17.201 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.970 -4.849 -18.292 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.430 -5.755 -19.325 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.044 -4.084 -19.324 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.674 -4.897 -17.785 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.273 -7.273 -18.414 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.697 -6.513 -19.966 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.982 -7.051 -18.858 1.00 0.00 H new ATOM 207 N THR A 16 7.338 -3.204 -15.844 1.00 0.00 N ATOM 208 CA THR A 16 7.638 -3.357 -14.426 1.00 0.00 C ATOM 209 C THR A 16 8.405 -4.648 -14.161 1.00 0.00 C ATOM 210 O THR A 16 8.353 -5.586 -14.956 1.00 0.00 O ATOM 211 CB THR A 16 6.353 -3.353 -13.576 1.00 0.00 C ATOM 212 OG1 THR A 16 5.204 -3.271 -14.426 1.00 0.00 O ATOM 213 CG2 THR A 16 6.353 -2.186 -12.600 1.00 0.00 C ATOM 0 H THR A 16 6.344 -3.233 -16.071 1.00 0.00 H new ATOM 0 HA THR A 16 8.256 -2.506 -14.141 1.00 0.00 H new ATOM 0 HB THR A 16 6.317 -4.282 -13.007 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.405 -3.110 -13.882 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.436 -2.204 -12.011 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.213 -2.268 -11.935 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.410 -1.249 -13.154 1.00 0.00 H new ATOM 221 N GLY A 17 9.117 -4.689 -13.039 1.00 0.00 N ATOM 222 CA GLY A 17 9.884 -5.870 -12.690 1.00 0.00 C ATOM 223 C GLY A 17 9.003 -7.072 -12.413 1.00 0.00 C ATOM 224 O GLY A 17 9.052 -8.067 -13.138 1.00 0.00 O ATOM 0 H GLY A 17 9.176 -3.925 -12.366 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.571 -6.106 -13.502 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.492 -5.658 -11.810 1.00 0.00 H new ATOM 228 N VAL A 18 8.196 -6.983 -11.361 1.00 0.00 N ATOM 229 CA VAL A 18 7.301 -8.073 -10.990 1.00 0.00 C ATOM 230 C VAL A 18 6.451 -8.515 -12.176 1.00 0.00 C ATOM 231 O VAL A 18 6.127 -9.694 -12.315 1.00 0.00 O ATOM 232 CB VAL A 18 6.371 -7.665 -9.831 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.512 -6.475 -10.228 1.00 0.00 C ATOM 234 CG2 VAL A 18 5.504 -8.841 -9.406 1.00 0.00 C ATOM 0 H VAL A 18 8.143 -6.168 -10.750 1.00 0.00 H new ATOM 0 HA VAL A 18 7.930 -8.903 -10.668 1.00 0.00 H new ATOM 0 HB VAL A 18 6.986 -7.370 -8.981 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.862 -6.202 -9.397 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.154 -5.631 -10.479 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.903 -6.738 -11.093 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.853 -8.536 -8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.896 -9.169 -10.249 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.141 -9.662 -9.077 1.00 0.00 H new ATOM 244 N ARG A 19 6.095 -7.560 -13.030 1.00 0.00 N ATOM 245 CA ARG A 19 5.282 -7.851 -14.205 1.00 0.00 C ATOM 246 C ARG A 19 5.994 -8.836 -15.128 1.00 0.00 C ATOM 247 O ARG A 19 5.378 -9.758 -15.661 1.00 0.00 O ATOM 248 CB ARG A 19 4.966 -6.561 -14.964 1.00 0.00 C ATOM 249 CG ARG A 19 3.521 -6.112 -14.827 1.00 0.00 C ATOM 250 CD ARG A 19 2.843 -5.992 -16.183 1.00 0.00 C ATOM 251 NE ARG A 19 3.172 -4.735 -16.850 1.00 0.00 N ATOM 252 CZ ARG A 19 2.602 -3.573 -16.552 1.00 0.00 C ATOM 253 NH1 ARG A 19 1.678 -3.509 -15.602 1.00 0.00 N ATOM 254 NH2 ARG A 19 2.955 -2.473 -17.203 1.00 0.00 N ATOM 0 H ARG A 19 6.357 -6.579 -12.930 1.00 0.00 H new ATOM 0 HA ARG A 19 4.350 -8.304 -13.868 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.620 -5.767 -14.603 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.194 -6.706 -16.020 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.975 -6.824 -14.208 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.485 -5.151 -14.315 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.145 -6.827 -16.815 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.763 -6.063 -16.056 1.00 0.00 H new ATOM 0 HE ARG A 19 3.879 -4.750 -17.585 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.404 -4.353 -15.099 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.241 -2.616 -15.375 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.665 -2.519 -17.934 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.516 -1.581 -16.973 1.00 0.00 H new ATOM 268 N ALA A 20 7.294 -8.632 -15.313 1.00 0.00 N ATOM 269 CA ALA A 20 8.090 -9.502 -16.170 1.00 0.00 C ATOM 270 C ALA A 20 8.365 -10.840 -15.490 1.00 0.00 C ATOM 271 O ALA A 20 8.323 -11.891 -16.130 1.00 0.00 O ATOM 272 CB ALA A 20 9.397 -8.821 -16.546 1.00 0.00 C ATOM 0 H ALA A 20 7.819 -7.871 -14.881 1.00 0.00 H new ATOM 0 HA ALA A 20 7.520 -9.696 -17.079 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.981 -9.482 -17.186 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.184 -7.895 -17.080 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.964 -8.597 -15.642 1.00 0.00 H new ATOM 278 N ILE A 21 8.646 -10.792 -14.193 1.00 0.00 N ATOM 279 CA ILE A 21 8.927 -12.000 -13.428 1.00 0.00 C ATOM 280 C ILE A 21 7.747 -12.964 -13.469 1.00 0.00 C ATOM 281 O ILE A 21 7.917 -14.176 -13.339 1.00 0.00 O ATOM 282 CB ILE A 21 9.257 -11.673 -11.959 1.00 0.00 C ATOM 283 CG1 ILE A 21 10.449 -10.716 -11.882 1.00 0.00 C ATOM 284 CG2 ILE A 21 9.545 -12.950 -11.184 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.616 -10.068 -10.526 1.00 0.00 C ATOM 0 H ILE A 21 8.685 -9.930 -13.650 1.00 0.00 H new ATOM 0 HA ILE A 21 9.794 -12.471 -13.891 1.00 0.00 H new ATOM 0 HB ILE A 21 8.393 -11.184 -11.508 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.359 -11.262 -12.130 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.329 -9.938 -12.636 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.776 -12.703 -10.148 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.670 -13.600 -11.215 1.00 0.00 H new ATOM 0 HG23 ILE A 21 10.395 -13.464 -11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.480 -9.403 -10.544 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.721 -9.494 -10.284 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.768 -10.839 -9.771 1.00 0.00 H new ATOM 297 N ASN A 22 6.549 -12.417 -13.653 1.00 0.00 N ATOM 298 CA ASN A 22 5.339 -13.229 -13.713 1.00 0.00 C ATOM 299 C ASN A 22 5.028 -13.636 -15.150 1.00 0.00 C ATOM 300 O ASN A 22 4.796 -14.810 -15.437 1.00 0.00 O ATOM 301 CB ASN A 22 4.155 -12.462 -13.120 1.00 0.00 C ATOM 302 CG ASN A 22 4.104 -12.559 -11.608 1.00 0.00 C ATOM 303 OD1 ASN A 22 3.706 -13.584 -11.053 1.00 0.00 O ATOM 304 ND2 ASN A 22 4.505 -11.488 -10.933 1.00 0.00 N ATOM 0 H ASN A 22 6.391 -11.415 -13.763 1.00 0.00 H new ATOM 0 HA ASN A 22 5.508 -14.132 -13.127 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.221 -11.414 -13.412 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.227 -12.852 -13.538 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.491 -11.493 -9.913 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.827 -10.660 -11.434 1.00 0.00 H new ATOM 311 N GLU A 23 5.025 -12.656 -16.049 1.00 0.00 N ATOM 312 CA GLU A 23 4.742 -12.913 -17.457 1.00 0.00 C ATOM 313 C GLU A 23 5.785 -13.849 -18.060 1.00 0.00 C ATOM 314 O GLU A 23 5.457 -14.931 -18.546 1.00 0.00 O ATOM 315 CB GLU A 23 4.707 -11.599 -18.240 1.00 0.00 C ATOM 316 CG GLU A 23 3.465 -10.765 -17.974 1.00 0.00 C ATOM 317 CD GLU A 23 2.873 -10.179 -19.241 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.406 -10.960 -20.095 1.00 0.00 O ATOM 319 OE2 GLU A 23 2.878 -8.937 -19.378 1.00 0.00 O ATOM 0 H GLU A 23 5.215 -11.679 -15.828 1.00 0.00 H new ATOM 0 HA GLU A 23 3.766 -13.394 -17.523 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.590 -11.012 -17.987 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.765 -11.819 -19.306 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.716 -11.383 -17.480 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.715 -9.957 -17.287 1.00 0.00 H new ATOM 326 N PHE A 24 7.044 -13.424 -18.024 1.00 0.00 N ATOM 327 CA PHE A 24 8.136 -14.223 -18.569 1.00 0.00 C ATOM 328 C PHE A 24 8.429 -15.424 -17.674 1.00 0.00 C ATOM 329 O PHE A 24 9.096 -16.373 -18.090 1.00 0.00 O ATOM 330 CB PHE A 24 9.395 -13.367 -18.721 1.00 0.00 C ATOM 331 CG PHE A 24 9.270 -12.299 -19.769 1.00 0.00 C ATOM 332 CD1 PHE A 24 9.612 -12.558 -21.086 1.00 0.00 C ATOM 333 CD2 PHE A 24 8.810 -11.034 -19.437 1.00 0.00 C ATOM 334 CE1 PHE A 24 9.498 -11.576 -22.053 1.00 0.00 C ATOM 335 CE2 PHE A 24 8.694 -10.050 -20.399 1.00 0.00 C ATOM 336 CZ PHE A 24 9.039 -10.320 -21.709 1.00 0.00 C ATOM 0 H PHE A 24 7.333 -12.532 -17.624 1.00 0.00 H new ATOM 0 HA PHE A 24 7.832 -14.588 -19.550 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.625 -12.900 -17.763 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.236 -14.013 -18.971 1.00 0.00 H new ATOM 0 HD1 PHE A 24 9.972 -13.538 -21.361 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.539 -10.816 -18.415 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.768 -11.791 -23.076 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.333 -9.069 -20.127 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.950 -9.551 -22.462 1.00 0.00 H new ATOM 346 N CYS A 25 7.928 -15.375 -16.445 1.00 0.00 N ATOM 347 CA CYS A 25 8.136 -16.458 -15.490 1.00 0.00 C ATOM 348 C CYS A 25 9.624 -16.692 -15.251 1.00 0.00 C ATOM 349 O CYS A 25 10.141 -17.781 -15.505 1.00 0.00 O ATOM 350 CB CYS A 25 7.480 -17.744 -15.995 1.00 0.00 C ATOM 351 SG CYS A 25 5.722 -17.881 -15.597 1.00 0.00 S ATOM 0 H CYS A 25 7.375 -14.597 -16.086 1.00 0.00 H new ATOM 0 HA CYS A 25 7.675 -16.171 -14.545 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.602 -17.801 -17.077 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.006 -18.599 -15.569 1.00 0.00 H new ATOM 0 HG CYS A 25 5.210 -16.692 -15.476 1.00 0.00 H new ATOM 357 N LEU A 26 10.308 -15.664 -14.761 1.00 0.00 N ATOM 358 CA LEU A 26 11.738 -15.757 -14.488 1.00 0.00 C ATOM 359 C LEU A 26 12.013 -15.683 -12.990 1.00 0.00 C ATOM 360 O LEU A 26 11.088 -15.684 -12.177 1.00 0.00 O ATOM 361 CB LEU A 26 12.489 -14.638 -15.212 1.00 0.00 C ATOM 362 CG LEU A 26 12.042 -14.347 -16.645 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.610 -13.019 -17.122 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.465 -15.475 -17.575 1.00 0.00 C ATOM 0 H LEU A 26 9.896 -14.757 -14.545 1.00 0.00 H new ATOM 0 HA LEU A 26 12.091 -16.721 -14.856 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.388 -13.723 -14.628 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.549 -14.890 -15.228 1.00 0.00 H new ATOM 0 HG LEU A 26 10.954 -14.280 -16.659 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.281 -12.829 -18.144 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.257 -12.218 -16.472 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.699 -13.057 -17.092 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.139 -15.251 -18.591 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.550 -15.574 -17.556 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.009 -16.409 -17.245 1.00 0.00 H new ATOM 376 N LYS A 27 13.290 -15.616 -12.630 1.00 0.00 N ATOM 377 CA LYS A 27 13.688 -15.537 -11.229 1.00 0.00 C ATOM 378 C LYS A 27 13.946 -14.091 -10.817 1.00 0.00 C ATOM 379 O LYS A 27 14.322 -13.259 -11.642 1.00 0.00 O ATOM 380 CB LYS A 27 14.942 -16.380 -10.986 1.00 0.00 C ATOM 381 CG LYS A 27 14.643 -17.805 -10.555 1.00 0.00 C ATOM 382 CD LYS A 27 15.273 -18.816 -11.499 1.00 0.00 C ATOM 383 CE LYS A 27 14.378 -19.091 -12.698 1.00 0.00 C ATOM 384 NZ LYS A 27 14.317 -20.543 -13.023 1.00 0.00 N ATOM 0 H LYS A 27 14.068 -15.615 -13.290 1.00 0.00 H new ATOM 0 HA LYS A 27 12.871 -15.928 -10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.537 -16.403 -11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.551 -15.898 -10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.018 -17.967 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.564 -17.958 -10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.238 -18.443 -11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.462 -19.746 -10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.373 -18.722 -12.493 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.750 -18.541 -13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.697 -20.689 -13.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.272 -20.890 -13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.939 -21.066 -12.207 1.00 0.00 H new ATOM 398 N SER A 28 13.741 -13.800 -9.537 1.00 0.00 N ATOM 399 CA SER A 28 13.949 -12.454 -9.016 1.00 0.00 C ATOM 400 C SER A 28 15.386 -11.998 -9.249 1.00 0.00 C ATOM 401 O SER A 28 15.641 -10.823 -9.515 1.00 0.00 O ATOM 402 CB SER A 28 13.624 -12.407 -7.522 1.00 0.00 C ATOM 403 OG SER A 28 12.900 -11.233 -7.195 1.00 0.00 O ATOM 0 H SER A 28 13.431 -14.478 -8.841 1.00 0.00 H new ATOM 0 HA SER A 28 13.280 -11.778 -9.548 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.042 -13.286 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.548 -12.441 -6.944 1.00 0.00 H new ATOM 0 HG SER A 28 12.703 -11.227 -6.235 1.00 0.00 H new ATOM 409 N SER A 29 16.323 -12.936 -9.148 1.00 0.00 N ATOM 410 CA SER A 29 17.735 -12.631 -9.344 1.00 0.00 C ATOM 411 C SER A 29 18.027 -12.331 -10.811 1.00 0.00 C ATOM 412 O SER A 29 18.813 -11.438 -11.129 1.00 0.00 O ATOM 413 CB SER A 29 18.602 -13.798 -8.868 1.00 0.00 C ATOM 414 OG SER A 29 19.964 -13.419 -8.779 1.00 0.00 O ATOM 0 H SER A 29 16.129 -13.914 -8.931 1.00 0.00 H new ATOM 0 HA SER A 29 17.975 -11.746 -8.755 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.253 -14.141 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.499 -14.636 -9.557 1.00 0.00 H new ATOM 0 HG SER A 29 20.496 -14.182 -8.471 1.00 0.00 H new ATOM 420 N ASP A 30 17.389 -13.083 -11.701 1.00 0.00 N ATOM 421 CA ASP A 30 17.578 -12.898 -13.135 1.00 0.00 C ATOM 422 C ASP A 30 17.362 -11.440 -13.528 1.00 0.00 C ATOM 423 O ASP A 30 18.210 -10.829 -14.180 1.00 0.00 O ATOM 424 CB ASP A 30 16.621 -13.798 -13.918 1.00 0.00 C ATOM 425 CG ASP A 30 17.211 -15.166 -14.198 1.00 0.00 C ATOM 426 OD1 ASP A 30 18.407 -15.235 -14.552 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.477 -16.168 -14.066 1.00 0.00 O ATOM 0 H ASP A 30 16.736 -13.827 -11.454 1.00 0.00 H new ATOM 0 HA ASP A 30 18.604 -13.173 -13.380 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.694 -13.913 -13.356 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.364 -13.316 -14.861 1.00 0.00 H new ATOM 432 N LEU A 31 16.221 -10.888 -13.130 1.00 0.00 N ATOM 433 CA LEU A 31 15.892 -9.502 -13.441 1.00 0.00 C ATOM 434 C LEU A 31 16.997 -8.561 -12.971 1.00 0.00 C ATOM 435 O LEU A 31 17.431 -7.680 -13.712 1.00 0.00 O ATOM 436 CB LEU A 31 14.564 -9.113 -12.789 1.00 0.00 C ATOM 437 CG LEU A 31 13.302 -9.444 -13.587 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.212 -8.571 -14.829 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.282 -10.917 -13.966 1.00 0.00 C ATOM 0 H LEU A 31 15.508 -11.380 -12.591 1.00 0.00 H new ATOM 0 HA LEU A 31 15.799 -9.411 -14.523 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.498 -9.610 -11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.577 -8.040 -12.597 1.00 0.00 H new ATOM 0 HG LEU A 31 12.434 -9.239 -12.960 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.308 -8.821 -15.384 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.179 -7.522 -14.535 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.084 -8.744 -15.459 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.377 -11.134 -14.533 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.156 -11.148 -14.575 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.298 -11.526 -13.062 1.00 0.00 H new ATOM 451 N GLU A 32 17.448 -8.756 -11.736 1.00 0.00 N ATOM 452 CA GLU A 32 18.503 -7.926 -11.168 1.00 0.00 C ATOM 453 C GLU A 32 19.718 -7.884 -12.091 1.00 0.00 C ATOM 454 O GLU A 32 20.448 -6.894 -12.128 1.00 0.00 O ATOM 455 CB GLU A 32 18.912 -8.452 -9.791 1.00 0.00 C ATOM 456 CG GLU A 32 17.758 -8.546 -8.808 1.00 0.00 C ATOM 457 CD GLU A 32 17.638 -7.315 -7.930 1.00 0.00 C ATOM 458 OE1 GLU A 32 18.635 -6.960 -7.267 1.00 0.00 O ATOM 459 OE2 GLU A 32 16.547 -6.708 -7.906 1.00 0.00 O ATOM 0 H GLU A 32 17.099 -9.482 -11.110 1.00 0.00 H new ATOM 0 HA GLU A 32 18.115 -6.913 -11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 32 19.361 -9.439 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.680 -7.799 -9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.828 -8.688 -9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.893 -9.425 -8.178 1.00 0.00 H new ATOM 466 N GLN A 33 19.928 -8.967 -12.832 1.00 0.00 N ATOM 467 CA GLN A 33 21.055 -9.055 -13.753 1.00 0.00 C ATOM 468 C GLN A 33 20.955 -7.989 -14.839 1.00 0.00 C ATOM 469 O GLN A 33 21.968 -7.468 -15.307 1.00 0.00 O ATOM 470 CB GLN A 33 21.113 -10.445 -14.390 1.00 0.00 C ATOM 471 CG GLN A 33 22.528 -10.964 -14.590 1.00 0.00 C ATOM 472 CD GLN A 33 23.104 -11.588 -13.334 1.00 0.00 C ATOM 473 OE1 GLN A 33 23.604 -10.889 -12.453 1.00 0.00 O ATOM 474 NE2 GLN A 33 23.036 -12.911 -13.246 1.00 0.00 N ATOM 0 H GLN A 33 19.333 -9.795 -12.813 1.00 0.00 H new ATOM 0 HA GLN A 33 21.970 -8.885 -13.185 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.563 -11.146 -13.763 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.606 -10.415 -15.355 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.530 -11.702 -15.392 1.00 0.00 H new ATOM 0 HG3 GLN A 33 23.170 -10.143 -14.911 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.613 -13.451 -14.001 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.407 -13.387 -12.424 1.00 0.00 H new ATOM 483 N LEU A 34 19.728 -7.669 -15.235 1.00 0.00 N ATOM 484 CA LEU A 34 19.496 -6.664 -16.267 1.00 0.00 C ATOM 485 C LEU A 34 19.708 -5.258 -15.716 1.00 0.00 C ATOM 486 O LEU A 34 19.692 -5.047 -14.503 1.00 0.00 O ATOM 487 CB LEU A 34 18.078 -6.797 -16.825 1.00 0.00 C ATOM 488 CG LEU A 34 17.668 -8.194 -17.291 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.154 -8.297 -17.401 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.324 -8.526 -18.623 1.00 0.00 C ATOM 0 H LEU A 34 18.879 -8.090 -14.858 1.00 0.00 H new ATOM 0 HA LEU A 34 20.214 -6.831 -17.070 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.375 -6.471 -16.058 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.974 -6.111 -17.665 1.00 0.00 H new ATOM 0 HG LEU A 34 18.009 -8.917 -16.550 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.881 -9.298 -17.734 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.704 -8.103 -16.427 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.791 -7.564 -18.121 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.021 -9.524 -18.939 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.014 -7.798 -19.373 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.408 -8.494 -18.513 1.00 0.00 H new ATOM 502 N ARG A 35 19.905 -4.299 -16.615 1.00 0.00 N ATOM 503 CA ARG A 35 20.120 -2.913 -16.218 1.00 0.00 C ATOM 504 C ARG A 35 18.954 -2.401 -15.378 1.00 0.00 C ATOM 505 O ARG A 35 17.800 -2.765 -15.609 1.00 0.00 O ATOM 506 CB ARG A 35 20.299 -2.028 -17.453 1.00 0.00 C ATOM 507 CG ARG A 35 20.645 -0.585 -17.125 1.00 0.00 C ATOM 508 CD ARG A 35 22.083 -0.452 -16.648 1.00 0.00 C ATOM 509 NE ARG A 35 22.905 0.299 -17.593 1.00 0.00 N ATOM 510 CZ ARG A 35 24.061 0.868 -17.271 1.00 0.00 C ATOM 511 NH1 ARG A 35 24.530 0.772 -16.034 1.00 0.00 N ATOM 512 NH2 ARG A 35 24.752 1.536 -18.187 1.00 0.00 N ATOM 0 H ARG A 35 19.920 -4.457 -17.623 1.00 0.00 H new ATOM 0 HA ARG A 35 21.027 -2.871 -15.615 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.086 -2.448 -18.079 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.381 -2.048 -18.040 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.494 0.036 -18.008 1.00 0.00 H new ATOM 0 HG3 ARG A 35 19.969 -0.214 -16.355 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.099 0.046 -15.678 1.00 0.00 H new ATOM 0 HD3 ARG A 35 22.511 -1.444 -16.504 1.00 0.00 H new ATOM 0 HE ARG A 35 22.573 0.392 -18.553 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.002 0.260 -15.327 1.00 0.00 H new ATOM 0 HH12 ARG A 35 25.418 1.210 -15.790 1.00 0.00 H new ATOM 0 HH21 ARG A 35 24.395 1.613 -19.139 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.640 1.973 -17.938 1.00 0.00 H new ATOM 526 N LYS A 36 19.262 -1.555 -14.401 1.00 0.00 N ATOM 527 CA LYS A 36 18.241 -0.991 -13.526 1.00 0.00 C ATOM 528 C LYS A 36 18.012 0.485 -13.835 1.00 0.00 C ATOM 529 O LYS A 36 18.777 1.345 -13.398 1.00 0.00 O ATOM 530 CB LYS A 36 18.647 -1.159 -12.060 1.00 0.00 C ATOM 531 CG LYS A 36 18.666 -2.605 -11.595 1.00 0.00 C ATOM 532 CD LYS A 36 18.479 -2.710 -10.091 1.00 0.00 C ATOM 533 CE LYS A 36 19.738 -3.221 -9.407 1.00 0.00 C ATOM 534 NZ LYS A 36 19.455 -3.746 -8.043 1.00 0.00 N ATOM 0 H LYS A 36 20.212 -1.245 -14.195 1.00 0.00 H new ATOM 0 HA LYS A 36 17.310 -1.529 -13.703 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.637 -0.726 -11.914 1.00 0.00 H new ATOM 0 HB3 LYS A 36 17.957 -0.594 -11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.876 -3.161 -12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 36 19.612 -3.067 -11.878 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.215 -1.733 -9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.647 -3.380 -9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.186 -4.008 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.468 -2.414 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.338 -4.084 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.051 -2.988 -7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.778 -4.533 -8.107 1.00 0.00 H new ATOM 782 N VAL A 51 12.521 0.039 -13.535 1.00 0.00 N ATOM 783 CA VAL A 51 11.860 -0.479 -14.727 1.00 0.00 C ATOM 784 C VAL A 51 12.866 -1.111 -15.683 1.00 0.00 C ATOM 785 O VAL A 51 13.989 -0.627 -15.828 1.00 0.00 O ATOM 786 CB VAL A 51 11.090 0.630 -15.469 1.00 0.00 C ATOM 787 CG1 VAL A 51 9.835 1.013 -14.701 1.00 0.00 C ATOM 788 CG2 VAL A 51 11.983 1.842 -15.687 1.00 0.00 C ATOM 0 HA VAL A 51 11.154 -1.239 -14.392 1.00 0.00 H new ATOM 0 HB VAL A 51 10.788 0.250 -16.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.304 1.798 -15.240 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.189 0.141 -14.601 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.111 1.376 -13.711 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.424 2.616 -16.212 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.317 2.226 -14.723 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.849 1.553 -16.282 1.00 0.00 H new ATOM 798 N TYR A 52 12.455 -2.194 -16.333 1.00 0.00 N ATOM 799 CA TYR A 52 13.321 -2.895 -17.274 1.00 0.00 C ATOM 800 C TYR A 52 12.859 -2.670 -18.711 1.00 0.00 C ATOM 801 O TYR A 52 11.802 -2.085 -18.951 1.00 0.00 O ATOM 802 CB TYR A 52 13.343 -4.392 -16.963 1.00 0.00 C ATOM 803 CG TYR A 52 13.751 -4.709 -15.541 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.004 -4.350 -15.061 1.00 0.00 C ATOM 805 CD2 TYR A 52 12.883 -5.368 -14.679 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.382 -4.637 -13.764 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.251 -5.658 -13.380 1.00 0.00 C ATOM 808 CZ TYR A 52 14.501 -5.291 -12.927 1.00 0.00 C ATOM 809 OH TYR A 52 14.872 -5.580 -11.634 1.00 0.00 O ATOM 0 H TYR A 52 11.528 -2.606 -16.226 1.00 0.00 H new ATOM 0 HA TYR A 52 14.329 -2.494 -17.168 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.353 -4.808 -17.149 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.031 -4.887 -17.648 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.695 -3.837 -15.714 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.904 -5.658 -15.031 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.361 -4.352 -13.407 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.564 -6.169 -12.722 1.00 0.00 H new ATOM 0 HH TYR A 52 14.137 -6.041 -11.178 1.00 0.00 H new ATOM 819 N LEU A 53 13.659 -3.138 -19.663 1.00 0.00 N ATOM 820 CA LEU A 53 13.333 -2.989 -21.077 1.00 0.00 C ATOM 821 C LEU A 53 12.764 -4.286 -21.644 1.00 0.00 C ATOM 822 O LEU A 53 13.316 -5.365 -21.427 1.00 0.00 O ATOM 823 CB LEU A 53 14.577 -2.578 -21.866 1.00 0.00 C ATOM 824 CG LEU A 53 14.575 -1.155 -22.428 1.00 0.00 C ATOM 825 CD1 LEU A 53 13.538 -1.019 -23.532 1.00 0.00 C ATOM 826 CD2 LEU A 53 14.313 -0.145 -21.321 1.00 0.00 C ATOM 0 H LEU A 53 14.537 -3.624 -19.482 1.00 0.00 H new ATOM 0 HA LEU A 53 12.576 -2.210 -21.170 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.447 -2.691 -21.219 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.704 -3.275 -22.695 1.00 0.00 H new ATOM 0 HG LEU A 53 15.558 -0.951 -22.853 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.551 -0.000 -23.920 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.770 -1.717 -24.337 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.549 -1.242 -23.132 1.00 0.00 H new ATOM 0 HD21 LEU A 53 14.315 0.862 -21.739 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.343 -0.347 -20.866 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.093 -0.225 -20.564 1.00 0.00 H new ATOM 838 N ARG A 54 11.658 -4.172 -22.371 1.00 0.00 N ATOM 839 CA ARG A 54 11.014 -5.335 -22.970 1.00 0.00 C ATOM 840 C ARG A 54 11.962 -6.046 -23.932 1.00 0.00 C ATOM 841 O ARG A 54 11.926 -7.270 -24.063 1.00 0.00 O ATOM 842 CB ARG A 54 9.741 -4.917 -23.708 1.00 0.00 C ATOM 843 CG ARG A 54 8.657 -5.982 -23.706 1.00 0.00 C ATOM 844 CD ARG A 54 7.271 -5.367 -23.590 1.00 0.00 C ATOM 845 NE ARG A 54 6.676 -5.108 -24.898 1.00 0.00 N ATOM 846 CZ ARG A 54 6.218 -6.064 -25.699 1.00 0.00 C ATOM 847 NH1 ARG A 54 6.286 -7.334 -25.327 1.00 0.00 N ATOM 848 NH2 ARG A 54 5.689 -5.749 -26.875 1.00 0.00 N ATOM 0 H ARG A 54 11.189 -3.286 -22.560 1.00 0.00 H new ATOM 0 HA ARG A 54 10.751 -6.026 -22.169 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.347 -4.009 -23.250 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.994 -4.670 -24.739 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.720 -6.569 -24.623 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.822 -6.669 -22.876 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.624 -6.036 -23.023 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.334 -4.434 -23.029 1.00 0.00 H new ATOM 0 HE ARG A 54 6.608 -4.141 -25.214 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.691 -7.580 -24.424 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.934 -8.066 -25.944 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.634 -4.772 -27.164 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.338 -6.484 -27.489 1.00 0.00 H new ATOM 862 N SER A 55 12.808 -5.271 -24.602 1.00 0.00 N ATOM 863 CA SER A 55 13.762 -5.826 -25.555 1.00 0.00 C ATOM 864 C SER A 55 14.839 -6.633 -24.837 1.00 0.00 C ATOM 865 O SER A 55 15.403 -7.573 -25.398 1.00 0.00 O ATOM 866 CB SER A 55 14.409 -4.706 -26.372 1.00 0.00 C ATOM 867 OG SER A 55 15.619 -4.272 -25.775 1.00 0.00 O ATOM 0 H SER A 55 12.852 -4.257 -24.503 1.00 0.00 H new ATOM 0 HA SER A 55 13.221 -6.491 -26.228 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.605 -5.057 -27.385 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.719 -3.866 -26.454 1.00 0.00 H new ATOM 0 HG SER A 55 16.013 -3.557 -26.317 1.00 0.00 H new ATOM 873 N ASP A 56 15.119 -6.260 -23.593 1.00 0.00 N ATOM 874 CA ASP A 56 16.127 -6.950 -22.796 1.00 0.00 C ATOM 875 C ASP A 56 15.546 -8.203 -22.150 1.00 0.00 C ATOM 876 O ASP A 56 16.088 -9.299 -22.296 1.00 0.00 O ATOM 877 CB ASP A 56 16.683 -6.017 -21.720 1.00 0.00 C ATOM 878 CG ASP A 56 17.594 -4.949 -22.293 1.00 0.00 C ATOM 879 OD1 ASP A 56 17.456 -4.633 -23.493 1.00 0.00 O ATOM 880 OD2 ASP A 56 18.446 -4.430 -21.541 1.00 0.00 O ATOM 0 H ASP A 56 14.662 -5.484 -23.115 1.00 0.00 H new ATOM 0 HA ASP A 56 16.937 -7.249 -23.461 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.856 -5.541 -21.194 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.233 -6.603 -20.984 1.00 0.00 H new ATOM 885 N VAL A 57 14.439 -8.034 -21.434 1.00 0.00 N ATOM 886 CA VAL A 57 13.783 -9.151 -20.765 1.00 0.00 C ATOM 887 C VAL A 57 13.470 -10.274 -21.748 1.00 0.00 C ATOM 888 O VAL A 57 13.448 -11.447 -21.378 1.00 0.00 O ATOM 889 CB VAL A 57 12.478 -8.707 -20.079 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.865 -9.860 -19.298 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.733 -7.514 -19.170 1.00 0.00 C ATOM 0 H VAL A 57 13.978 -7.134 -21.302 1.00 0.00 H new ATOM 0 HA VAL A 57 14.477 -9.517 -20.008 1.00 0.00 H new ATOM 0 HB VAL A 57 11.769 -8.404 -20.849 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.944 -9.527 -18.820 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.644 -10.683 -19.978 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.567 -10.197 -18.536 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.800 -7.214 -18.693 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.459 -7.788 -18.405 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.123 -6.684 -19.760 1.00 0.00 H new ATOM 901 N GLU A 58 13.230 -9.905 -23.002 1.00 0.00 N ATOM 902 CA GLU A 58 12.918 -10.882 -24.039 1.00 0.00 C ATOM 903 C GLU A 58 13.983 -11.974 -24.096 1.00 0.00 C ATOM 904 O GLU A 58 13.672 -13.162 -24.034 1.00 0.00 O ATOM 905 CB GLU A 58 12.804 -10.194 -25.401 1.00 0.00 C ATOM 906 CG GLU A 58 12.259 -11.097 -26.495 1.00 0.00 C ATOM 907 CD GLU A 58 11.993 -10.352 -27.788 1.00 0.00 C ATOM 908 OE1 GLU A 58 12.953 -9.792 -28.359 1.00 0.00 O ATOM 909 OE2 GLU A 58 10.825 -10.327 -28.229 1.00 0.00 O ATOM 0 H GLU A 58 13.246 -8.937 -23.325 1.00 0.00 H new ATOM 0 HA GLU A 58 11.962 -11.343 -23.792 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.157 -9.322 -25.305 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.787 -9.830 -25.698 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.969 -11.902 -26.684 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.335 -11.561 -26.151 1.00 0.00 H new ATOM 916 N ALA A 59 15.241 -11.560 -24.214 1.00 0.00 N ATOM 917 CA ALA A 59 16.352 -12.501 -24.278 1.00 0.00 C ATOM 918 C ALA A 59 16.500 -13.265 -22.966 1.00 0.00 C ATOM 919 O ALA A 59 16.837 -14.449 -22.960 1.00 0.00 O ATOM 920 CB ALA A 59 17.644 -11.771 -24.614 1.00 0.00 C ATOM 0 H ALA A 59 15.515 -10.579 -24.267 1.00 0.00 H new ATOM 0 HA ALA A 59 16.140 -13.222 -25.067 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.465 -12.486 -24.658 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.542 -11.276 -25.580 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.852 -11.027 -23.845 1.00 0.00 H new ATOM 926 N LYS A 60 16.246 -12.580 -21.856 1.00 0.00 N ATOM 927 CA LYS A 60 16.350 -13.194 -20.538 1.00 0.00 C ATOM 928 C LYS A 60 15.462 -14.430 -20.441 1.00 0.00 C ATOM 929 O LYS A 60 15.732 -15.341 -19.659 1.00 0.00 O ATOM 930 CB LYS A 60 15.962 -12.187 -19.452 1.00 0.00 C ATOM 931 CG LYS A 60 16.063 -12.744 -18.043 1.00 0.00 C ATOM 932 CD LYS A 60 17.478 -13.198 -17.723 1.00 0.00 C ATOM 933 CE LYS A 60 18.455 -12.033 -17.744 1.00 0.00 C ATOM 934 NZ LYS A 60 19.778 -12.409 -17.173 1.00 0.00 N ATOM 0 H LYS A 60 15.967 -11.599 -21.843 1.00 0.00 H new ATOM 0 HA LYS A 60 17.385 -13.500 -20.388 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.605 -11.311 -19.534 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.940 -11.851 -19.628 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.753 -11.983 -17.327 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.377 -13.584 -17.933 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.496 -13.672 -16.741 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.792 -13.951 -18.446 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.587 -11.688 -18.769 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.039 -11.200 -17.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.517 -11.800 -17.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.758 -12.288 -16.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.985 -13.402 -17.401 1.00 0.00 H new ATOM 948 N SER A 61 14.401 -14.455 -21.242 1.00 0.00 N ATOM 949 CA SER A 61 13.472 -15.578 -21.244 1.00 0.00 C ATOM 950 C SER A 61 13.994 -16.714 -22.119 1.00 0.00 C ATOM 951 O SER A 61 13.662 -17.881 -21.906 1.00 0.00 O ATOM 952 CB SER A 61 12.096 -15.128 -21.741 1.00 0.00 C ATOM 953 OG SER A 61 11.879 -15.536 -23.081 1.00 0.00 O ATOM 0 H SER A 61 14.164 -13.710 -21.897 1.00 0.00 H new ATOM 0 HA SER A 61 13.380 -15.943 -20.221 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.320 -15.546 -21.100 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.017 -14.043 -21.671 1.00 0.00 H new ATOM 0 HG SER A 61 12.368 -14.942 -23.687 1.00 0.00 H new ATOM 959 N LEU A 62 14.814 -16.364 -23.104 1.00 0.00 N ATOM 960 CA LEU A 62 15.384 -17.353 -24.013 1.00 0.00 C ATOM 961 C LEU A 62 16.615 -18.010 -23.399 1.00 0.00 C ATOM 962 O LEU A 62 16.882 -19.189 -23.631 1.00 0.00 O ATOM 963 CB LEU A 62 15.752 -16.697 -25.345 1.00 0.00 C ATOM 964 CG LEU A 62 14.724 -15.722 -25.921 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.166 -15.225 -27.288 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.355 -16.381 -26.008 1.00 0.00 C ATOM 0 H LEU A 62 15.099 -15.403 -23.294 1.00 0.00 H new ATOM 0 HA LEU A 62 14.634 -18.124 -24.190 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.695 -16.165 -25.217 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.927 -17.484 -26.078 1.00 0.00 H new ATOM 0 HG LEU A 62 14.651 -14.864 -25.252 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.422 -14.533 -27.681 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.125 -14.714 -27.197 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.269 -16.071 -27.967 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.636 -15.673 -26.420 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.413 -17.257 -26.654 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.034 -16.686 -25.012 1.00 0.00 H new ATOM 978 N GLU A 63 17.362 -17.240 -22.613 1.00 0.00 N ATOM 979 CA GLU A 63 18.564 -17.749 -21.965 1.00 0.00 C ATOM 980 C GLU A 63 18.207 -18.672 -20.804 1.00 0.00 C ATOM 981 O GLU A 63 18.991 -19.542 -20.424 1.00 0.00 O ATOM 982 CB GLU A 63 19.429 -16.591 -21.463 1.00 0.00 C ATOM 983 CG GLU A 63 18.875 -15.910 -20.223 1.00 0.00 C ATOM 984 CD GLU A 63 19.597 -16.327 -18.957 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.806 -17.543 -18.765 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.954 -15.436 -18.158 1.00 0.00 O ATOM 0 H GLU A 63 17.155 -16.262 -22.410 1.00 0.00 H new ATOM 0 HA GLU A 63 19.128 -18.322 -22.701 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.430 -16.964 -21.246 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.530 -15.853 -22.258 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.952 -14.829 -20.342 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.815 -16.145 -20.127 1.00 0.00 H new ATOM 993 N VAL A 64 17.019 -18.474 -20.242 1.00 0.00 N ATOM 994 CA VAL A 64 16.556 -19.288 -19.124 1.00 0.00 C ATOM 995 C VAL A 64 15.779 -20.504 -19.614 1.00 0.00 C ATOM 996 O VAL A 64 16.272 -21.631 -19.561 1.00 0.00 O ATOM 997 CB VAL A 64 15.664 -18.474 -18.168 1.00 0.00 C ATOM 998 CG1 VAL A 64 15.148 -19.354 -17.040 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.427 -17.279 -17.617 1.00 0.00 C ATOM 0 H VAL A 64 16.359 -17.757 -20.543 1.00 0.00 H new ATOM 0 HA VAL A 64 17.444 -19.620 -18.586 1.00 0.00 H new ATOM 0 HB VAL A 64 14.806 -18.102 -18.727 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.520 -18.762 -16.375 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.563 -20.174 -17.457 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.991 -19.758 -16.479 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.782 -16.715 -16.943 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.305 -17.627 -17.072 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.742 -16.637 -18.440 1.00 0.00 H new ATOM 1009 N TRP A 65 14.563 -20.269 -20.092 1.00 0.00 N ATOM 1010 CA TRP A 65 13.717 -21.346 -20.593 1.00 0.00 C ATOM 1011 C TRP A 65 14.382 -22.061 -21.764 1.00 0.00 C ATOM 1012 O TRP A 65 14.108 -23.232 -22.025 1.00 0.00 O ATOM 1013 CB TRP A 65 12.356 -20.796 -21.023 1.00 0.00 C ATOM 1014 CG TRP A 65 11.408 -20.597 -19.879 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.179 -19.437 -19.196 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.563 -21.589 -19.284 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.243 -19.647 -18.212 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.849 -20.959 -18.246 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.339 -22.946 -19.528 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.929 -21.642 -17.455 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.426 -23.623 -18.742 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.729 -22.970 -17.716 1.00 0.00 C ATOM 0 H TRP A 65 14.140 -19.342 -20.143 1.00 0.00 H new ATOM 0 HA TRP A 65 13.572 -22.065 -19.787 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.502 -19.845 -21.535 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.907 -21.480 -21.743 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.663 -18.493 -19.399 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.898 -18.941 -17.562 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.870 -23.457 -20.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.392 -21.141 -16.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.246 -24.673 -18.921 1.00 0.00 H new ATOM 0 HH2 TRP A 65 8.020 -23.526 -17.120 1.00 0.00 H new ATOM 1033 N GLY A 66 15.258 -21.349 -22.467 1.00 0.00 N ATOM 1034 CA GLY A 66 15.948 -21.933 -23.602 1.00 0.00 C ATOM 1035 C GLY A 66 15.475 -21.363 -24.924 1.00 0.00 C ATOM 1036 O GLY A 66 16.279 -21.106 -25.820 1.00 0.00 O ATOM 0 H GLY A 66 15.502 -20.378 -22.270 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.020 -21.762 -23.499 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.796 -23.012 -23.600 1.00 0.00 H new ATOM 1040 N SER A 67 14.166 -21.167 -25.048 1.00 0.00 N ATOM 1041 CA SER A 67 13.586 -20.629 -26.273 1.00 0.00 C ATOM 1042 C SER A 67 12.252 -19.947 -25.989 1.00 0.00 C ATOM 1043 O SER A 67 11.612 -20.182 -24.964 1.00 0.00 O ATOM 1044 CB SER A 67 13.393 -21.744 -27.303 1.00 0.00 C ATOM 1045 OG SER A 67 13.978 -22.956 -26.859 1.00 0.00 O ATOM 0 H SER A 67 13.487 -21.373 -24.315 1.00 0.00 H new ATOM 0 HA SER A 67 14.275 -19.886 -26.676 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.329 -21.895 -27.484 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.839 -21.448 -28.252 1.00 0.00 H new ATOM 0 HG SER A 67 13.840 -23.653 -27.534 1.00 0.00 H new ATOM 1051 N PRO A 68 11.821 -19.081 -26.918 1.00 0.00 N ATOM 1052 CA PRO A 68 10.558 -18.347 -26.791 1.00 0.00 C ATOM 1053 C PRO A 68 9.342 -19.256 -26.933 1.00 0.00 C ATOM 1054 O PRO A 68 8.233 -18.888 -26.547 1.00 0.00 O ATOM 1055 CB PRO A 68 10.614 -17.344 -27.946 1.00 0.00 C ATOM 1056 CG PRO A 68 11.515 -17.973 -28.951 1.00 0.00 C ATOM 1057 CD PRO A 68 12.532 -18.753 -28.165 1.00 0.00 C ATOM 0 HA PRO A 68 10.453 -17.884 -25.810 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.623 -17.163 -28.362 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.002 -16.380 -27.615 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.956 -18.626 -29.622 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.997 -17.217 -29.570 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.847 -19.651 -28.696 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.429 -18.164 -27.973 1.00 0.00 H new ATOM 1065 N GLU A 69 9.559 -20.444 -27.488 1.00 0.00 N ATOM 1066 CA GLU A 69 8.478 -21.405 -27.681 1.00 0.00 C ATOM 1067 C GLU A 69 8.080 -22.048 -26.355 1.00 0.00 C ATOM 1068 O GLU A 69 6.920 -22.403 -26.150 1.00 0.00 O ATOM 1069 CB GLU A 69 8.899 -22.485 -28.679 1.00 0.00 C ATOM 1070 CG GLU A 69 9.488 -21.930 -29.965 1.00 0.00 C ATOM 1071 CD GLU A 69 9.013 -22.679 -31.195 1.00 0.00 C ATOM 1072 OE1 GLU A 69 7.858 -22.457 -31.615 1.00 0.00 O ATOM 1073 OE2 GLU A 69 9.796 -23.487 -31.737 1.00 0.00 O ATOM 0 H GLU A 69 10.472 -20.764 -27.812 1.00 0.00 H new ATOM 0 HA GLU A 69 7.616 -20.870 -28.079 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.632 -23.139 -28.206 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.033 -23.101 -28.922 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.220 -20.878 -30.059 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.576 -21.978 -29.912 1.00 0.00 H new ATOM 1080 N ALA A 70 9.051 -22.195 -25.460 1.00 0.00 N ATOM 1081 CA ALA A 70 8.803 -22.794 -24.155 1.00 0.00 C ATOM 1082 C ALA A 70 7.893 -21.910 -23.310 1.00 0.00 C ATOM 1083 O ALA A 70 7.003 -22.402 -22.615 1.00 0.00 O ATOM 1084 CB ALA A 70 10.118 -23.046 -23.431 1.00 0.00 C ATOM 0 H ALA A 70 10.017 -21.907 -25.615 1.00 0.00 H new ATOM 0 HA ALA A 70 8.298 -23.747 -24.310 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.917 -23.494 -22.458 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.735 -23.723 -24.022 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.645 -22.102 -23.294 1.00 0.00 H new ATOM 1090 N LEU A 71 8.121 -20.603 -23.372 1.00 0.00 N ATOM 1091 CA LEU A 71 7.321 -19.649 -22.612 1.00 0.00 C ATOM 1092 C LEU A 71 5.932 -19.493 -23.224 1.00 0.00 C ATOM 1093 O LEU A 71 4.931 -19.442 -22.510 1.00 0.00 O ATOM 1094 CB LEU A 71 8.023 -18.291 -22.559 1.00 0.00 C ATOM 1095 CG LEU A 71 7.252 -17.162 -21.876 1.00 0.00 C ATOM 1096 CD1 LEU A 71 7.114 -17.435 -20.386 1.00 0.00 C ATOM 1097 CD2 LEU A 71 7.939 -15.826 -22.114 1.00 0.00 C ATOM 0 H LEU A 71 8.854 -20.179 -23.941 1.00 0.00 H new ATOM 0 HA LEU A 71 7.210 -20.033 -21.598 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.975 -18.417 -22.044 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.251 -17.983 -23.579 1.00 0.00 H new ATOM 0 HG LEU A 71 6.253 -17.116 -22.310 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.562 -16.621 -19.916 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.576 -18.371 -20.236 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.104 -17.509 -19.936 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.376 -15.034 -21.620 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.950 -15.859 -21.708 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.984 -15.626 -23.184 1.00 0.00 H new ATOM 1109 N ALA A 72 5.881 -19.418 -24.550 1.00 0.00 N ATOM 1110 CA ALA A 72 4.615 -19.272 -25.258 1.00 0.00 C ATOM 1111 C ALA A 72 3.613 -20.332 -24.815 1.00 0.00 C ATOM 1112 O ALA A 72 2.404 -20.100 -24.825 1.00 0.00 O ATOM 1113 CB ALA A 72 4.839 -19.350 -26.761 1.00 0.00 C ATOM 0 H ALA A 72 6.701 -19.456 -25.155 1.00 0.00 H new ATOM 0 HA ALA A 72 4.201 -18.294 -25.014 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.885 -19.240 -27.277 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.514 -18.552 -27.070 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.279 -20.315 -27.014 1.00 0.00 H new ATOM 1119 N ARG A 73 4.122 -21.497 -24.428 1.00 0.00 N ATOM 1120 CA ARG A 73 3.271 -22.594 -23.983 1.00 0.00 C ATOM 1121 C ARG A 73 2.362 -22.148 -22.842 1.00 0.00 C ATOM 1122 O ARG A 73 1.218 -22.591 -22.738 1.00 0.00 O ATOM 1123 CB ARG A 73 4.125 -23.781 -23.535 1.00 0.00 C ATOM 1124 CG ARG A 73 5.101 -24.265 -24.596 1.00 0.00 C ATOM 1125 CD ARG A 73 4.866 -25.726 -24.945 1.00 0.00 C ATOM 1126 NE ARG A 73 6.113 -26.424 -25.245 1.00 0.00 N ATOM 1127 CZ ARG A 73 6.168 -27.586 -25.886 1.00 0.00 C ATOM 1128 NH1 ARG A 73 5.053 -28.177 -26.292 1.00 0.00 N ATOM 1129 NH2 ARG A 73 7.341 -28.160 -26.123 1.00 0.00 N ATOM 0 H ARG A 73 5.120 -21.706 -24.414 1.00 0.00 H new ATOM 0 HA ARG A 73 2.647 -22.901 -24.823 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.683 -23.500 -22.642 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.468 -24.605 -23.255 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.997 -23.654 -25.493 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.122 -24.135 -24.239 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.364 -26.221 -24.114 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.198 -25.791 -25.804 1.00 0.00 H new ATOM 0 HE ARG A 73 6.989 -25.996 -24.946 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.149 -27.739 -26.112 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.099 -29.069 -26.784 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.202 -27.709 -25.813 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.382 -29.052 -26.615 1.00 0.00 H new ATOM 1143 N GLU A 74 2.879 -21.269 -21.989 1.00 0.00 N ATOM 1144 CA GLU A 74 2.113 -20.765 -20.855 1.00 0.00 C ATOM 1145 C GLU A 74 1.341 -19.506 -21.236 1.00 0.00 C ATOM 1146 O GLU A 74 0.300 -19.201 -20.653 1.00 0.00 O ATOM 1147 CB GLU A 74 3.042 -20.469 -19.675 1.00 0.00 C ATOM 1148 CG GLU A 74 3.287 -21.670 -18.777 1.00 0.00 C ATOM 1149 CD GLU A 74 3.148 -21.336 -17.305 1.00 0.00 C ATOM 1150 OE1 GLU A 74 4.117 -20.805 -16.723 1.00 0.00 O ATOM 1151 OE2 GLU A 74 2.070 -21.606 -16.735 1.00 0.00 O ATOM 0 H GLU A 74 3.824 -20.892 -22.062 1.00 0.00 H new ATOM 0 HA GLU A 74 1.398 -21.534 -20.562 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.998 -20.111 -20.057 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.614 -19.662 -19.080 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.582 -22.461 -19.034 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.287 -22.061 -18.964 1.00 0.00 H new ATOM 1158 N LYS A 75 1.857 -18.777 -22.219 1.00 0.00 N ATOM 1159 CA LYS A 75 1.218 -17.551 -22.681 1.00 0.00 C ATOM 1160 C LYS A 75 -0.157 -17.844 -23.274 1.00 0.00 C ATOM 1161 O LYS A 75 -1.103 -17.080 -23.083 1.00 0.00 O ATOM 1162 CB LYS A 75 2.096 -16.854 -23.723 1.00 0.00 C ATOM 1163 CG LYS A 75 3.502 -16.554 -23.230 1.00 0.00 C ATOM 1164 CD LYS A 75 3.552 -15.252 -22.449 1.00 0.00 C ATOM 1165 CE LYS A 75 4.041 -15.475 -21.026 1.00 0.00 C ATOM 1166 NZ LYS A 75 2.943 -15.927 -20.127 1.00 0.00 N ATOM 0 H LYS A 75 2.718 -19.015 -22.712 1.00 0.00 H new ATOM 0 HA LYS A 75 1.091 -16.892 -21.822 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.158 -17.481 -24.612 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.618 -15.921 -24.023 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.850 -17.372 -22.599 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.182 -16.496 -24.080 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.212 -14.548 -22.956 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.560 -14.801 -22.428 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.838 -16.219 -21.028 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.469 -14.550 -20.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.260 -15.873 -19.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.112 -15.315 -20.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.689 -16.909 -20.356 1.00 0.00 H new