USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 427 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 38 SER OG : rot 139:sc= 0.51 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -171:sc= 0.56 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -73:sc= 0.854 USER MOD Single : A 26 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1) USER MOD Single : A 27 SER OG : rot 110:sc= 0.102 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.08) USER MOD Single : A 36 MET CE :methyl 179:sc= -0.252 (180deg=-0.254) USER MOD Single : A 39 THR OG1 : rot -78:sc= 1.09 USER MOD Single : A 85 SER OG : rot -33:sc= 0.215 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 97 SER OG : rot 82:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.392 3.056 -0.982 1.00 0.00 N ATOM 197 CA GLU A 13 14.185 2.856 -2.208 1.00 0.00 C ATOM 198 C GLU A 13 14.215 4.129 -3.075 1.00 0.00 C ATOM 199 O GLU A 13 15.249 4.451 -3.655 1.00 0.00 O ATOM 200 CB GLU A 13 13.677 1.649 -3.008 1.00 0.00 C ATOM 201 CG GLU A 13 13.853 0.336 -2.236 1.00 0.00 C ATOM 202 CD GLU A 13 13.277 -0.847 -3.029 1.00 0.00 C ATOM 203 OE1 GLU A 13 14.004 -1.432 -3.870 1.00 0.00 O ATOM 204 OE2 GLU A 13 12.096 -1.203 -2.802 1.00 0.00 O ATOM 0 HA GLU A 13 15.210 2.644 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.623 1.790 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.214 1.589 -3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.911 0.165 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.355 0.408 -1.269 1.00 0.00 H new ATOM 211 N VAL A 14 13.124 4.909 -3.094 1.00 0.00 N ATOM 212 CA VAL A 14 13.096 6.253 -3.713 1.00 0.00 C ATOM 213 C VAL A 14 14.009 7.226 -2.945 1.00 0.00 C ATOM 214 O VAL A 14 14.765 7.991 -3.545 1.00 0.00 O ATOM 215 CB VAL A 14 11.648 6.783 -3.809 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.548 8.120 -4.551 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.722 5.797 -4.543 1.00 0.00 C ATOM 0 H VAL A 14 12.233 4.631 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 14 13.483 6.173 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 14 11.336 6.911 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.507 8.440 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.141 8.871 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.925 8.001 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.714 6.209 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.093 5.634 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.702 4.848 -4.007 1.00 0.00 H new ATOM 227 N ASP A 15 14.008 7.160 -1.610 1.00 0.00 N ATOM 228 CA ASP A 15 14.931 7.939 -0.773 1.00 0.00 C ATOM 229 C ASP A 15 16.408 7.522 -0.939 1.00 0.00 C ATOM 230 O ASP A 15 17.295 8.370 -1.056 1.00 0.00 O ATOM 231 CB ASP A 15 14.504 7.807 0.686 1.00 0.00 C ATOM 232 CG ASP A 15 15.149 8.909 1.536 1.00 0.00 C ATOM 233 OD1 ASP A 15 14.815 10.100 1.309 1.00 0.00 O ATOM 234 OD2 ASP A 15 15.931 8.593 2.457 1.00 0.00 O ATOM 0 H ASP A 15 13.370 6.567 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 15 14.874 8.977 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.418 7.870 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.793 6.828 1.069 1.00 0.00 H new ATOM 239 N GLU A 16 16.677 6.217 -1.031 1.00 0.00 N ATOM 240 CA GLU A 16 17.994 5.683 -1.390 1.00 0.00 C ATOM 241 C GLU A 16 18.429 6.142 -2.789 1.00 0.00 C ATOM 242 O GLU A 16 19.597 6.477 -2.976 1.00 0.00 O ATOM 243 CB GLU A 16 17.965 4.148 -1.311 1.00 0.00 C ATOM 244 CG GLU A 16 19.248 3.465 -1.812 1.00 0.00 C ATOM 245 CD GLU A 16 20.515 3.835 -1.009 1.00 0.00 C ATOM 246 OE1 GLU A 16 20.423 4.128 0.208 1.00 0.00 O ATOM 247 OE2 GLU A 16 21.632 3.780 -1.583 1.00 0.00 O ATOM 0 H GLU A 16 15.979 5.494 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 16 18.726 6.070 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.790 3.852 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.120 3.782 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.110 2.384 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.403 3.730 -2.858 1.00 0.00 H new ATOM 254 N ALA A 17 17.519 6.210 -3.764 1.00 0.00 N ATOM 255 CA ALA A 17 17.830 6.735 -5.089 1.00 0.00 C ATOM 256 C ALA A 17 18.198 8.232 -5.028 1.00 0.00 C ATOM 257 O ALA A 17 19.162 8.647 -5.672 1.00 0.00 O ATOM 258 CB ALA A 17 16.662 6.460 -6.040 1.00 0.00 C ATOM 0 H ALA A 17 16.552 5.904 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 17 18.709 6.221 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.898 6.853 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.493 5.385 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.762 6.945 -5.661 1.00 0.00 H new ATOM 264 N ILE A 18 17.501 9.030 -4.202 1.00 0.00 N ATOM 265 CA ILE A 18 17.903 10.419 -3.895 1.00 0.00 C ATOM 266 C ILE A 18 19.330 10.469 -3.320 1.00 0.00 C ATOM 267 O ILE A 18 20.144 11.250 -3.813 1.00 0.00 O ATOM 268 CB ILE A 18 16.862 11.107 -2.974 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.613 11.470 -3.805 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.421 12.358 -2.263 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.381 11.800 -2.955 1.00 0.00 C ATOM 0 H ILE A 18 16.647 8.735 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 18 17.923 10.987 -4.825 1.00 0.00 H new ATOM 0 HB ILE A 18 16.599 10.401 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.846 12.326 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.374 10.638 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.646 12.795 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.274 12.075 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.738 13.088 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.543 12.045 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.122 10.938 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.601 12.652 -2.311 1.00 0.00 H new ATOM 283 N ASP A 19 19.679 9.629 -2.342 1.00 0.00 N ATOM 284 CA ASP A 19 21.044 9.572 -1.795 1.00 0.00 C ATOM 285 C ASP A 19 22.094 9.074 -2.808 1.00 0.00 C ATOM 286 O ASP A 19 23.213 9.590 -2.834 1.00 0.00 O ATOM 287 CB ASP A 19 21.068 8.708 -0.529 1.00 0.00 C ATOM 288 CG ASP A 19 20.546 9.496 0.679 1.00 0.00 C ATOM 289 OD1 ASP A 19 21.197 10.485 1.084 1.00 0.00 O ATOM 290 OD2 ASP A 19 19.468 9.173 1.225 1.00 0.00 O ATOM 0 H ASP A 19 19.031 8.972 -1.907 1.00 0.00 H new ATOM 0 HA ASP A 19 21.323 10.597 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.457 7.818 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 19 22.085 8.368 -0.335 1.00 0.00 H new ATOM 295 N ASN A 20 21.747 8.124 -3.681 1.00 0.00 N ATOM 296 CA ASN A 20 22.625 7.650 -4.754 1.00 0.00 C ATOM 297 C ASN A 20 22.930 8.777 -5.757 1.00 0.00 C ATOM 298 O ASN A 20 24.090 9.010 -6.087 1.00 0.00 O ATOM 299 CB ASN A 20 21.968 6.423 -5.418 1.00 0.00 C ATOM 300 CG ASN A 20 22.866 5.695 -6.408 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.071 5.889 -6.481 1.00 0.00 O ATOM 302 ND2 ASN A 20 22.305 4.806 -7.198 1.00 0.00 N ATOM 0 H ASN A 20 20.840 7.658 -3.662 1.00 0.00 H new ATOM 0 HA ASN A 20 23.589 7.347 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.661 5.724 -4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.063 6.744 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.874 4.285 -7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.300 4.638 -7.144 1.00 0.00 H new ATOM 309 N ILE A 21 21.912 9.550 -6.161 1.00 0.00 N ATOM 310 CA ILE A 21 22.091 10.751 -6.997 1.00 0.00 C ATOM 311 C ILE A 21 22.932 11.806 -6.271 1.00 0.00 C ATOM 312 O ILE A 21 23.858 12.361 -6.863 1.00 0.00 O ATOM 313 CB ILE A 21 20.714 11.304 -7.434 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.080 10.367 -8.486 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.861 12.722 -8.013 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.558 10.540 -8.595 1.00 0.00 C ATOM 0 H ILE A 21 20.939 9.362 -5.918 1.00 0.00 H new ATOM 0 HA ILE A 21 22.640 10.476 -7.897 1.00 0.00 H new ATOM 0 HB ILE A 21 20.065 11.352 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.534 10.560 -9.458 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.306 9.332 -8.228 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.882 13.095 -8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.283 13.382 -7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.522 12.695 -8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.167 9.857 -9.349 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.097 10.320 -7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.328 11.566 -8.881 1.00 0.00 H new ATOM 328 N LEU A 22 22.657 12.060 -4.992 1.00 0.00 N ATOM 329 CA LEU A 22 23.400 13.022 -4.174 1.00 0.00 C ATOM 330 C LEU A 22 24.902 12.675 -4.099 1.00 0.00 C ATOM 331 O LEU A 22 25.754 13.552 -4.257 1.00 0.00 O ATOM 332 CB LEU A 22 22.729 13.039 -2.786 1.00 0.00 C ATOM 333 CG LEU A 22 23.248 14.104 -1.813 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.862 15.510 -2.271 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.647 13.852 -0.430 1.00 0.00 C ATOM 0 H LEU A 22 21.901 11.597 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 22 23.365 14.016 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.658 13.188 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.859 12.059 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 22 24.335 14.037 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.245 16.242 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.289 15.702 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.776 15.590 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.012 14.606 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.560 13.908 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.940 12.862 -0.081 1.00 0.00 H new ATOM 347 N ARG A 23 25.236 11.385 -3.934 1.00 0.00 N ATOM 348 CA ARG A 23 26.624 10.884 -3.938 1.00 0.00 C ATOM 349 C ARG A 23 27.255 10.866 -5.333 1.00 0.00 C ATOM 350 O ARG A 23 28.430 11.201 -5.451 1.00 0.00 O ATOM 351 CB ARG A 23 26.657 9.492 -3.261 1.00 0.00 C ATOM 352 CG ARG A 23 28.039 8.812 -3.263 1.00 0.00 C ATOM 353 CD ARG A 23 29.144 9.636 -2.588 1.00 0.00 C ATOM 354 NE ARG A 23 30.473 9.028 -2.803 1.00 0.00 N ATOM 355 CZ ARG A 23 31.290 9.209 -3.827 1.00 0.00 C ATOM 356 NH1 ARG A 23 30.988 9.956 -4.857 1.00 0.00 N ATOM 357 NH2 ARG A 23 32.453 8.622 -3.840 1.00 0.00 N ATOM 0 H ARG A 23 24.543 10.650 -3.792 1.00 0.00 H new ATOM 0 HA ARG A 23 27.240 11.578 -3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.319 9.596 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.945 8.840 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.959 7.849 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.330 8.609 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 23 29.138 10.651 -2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 23 28.944 9.710 -1.519 1.00 0.00 H new ATOM 0 HE ARG A 23 30.799 8.393 -2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 23 30.086 10.431 -4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 23 31.654 10.063 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 23 32.731 8.025 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 23 33.085 8.760 -4.629 1.00 0.00 H new ATOM 371 N TYR A 24 26.500 10.523 -6.378 1.00 0.00 N ATOM 372 CA TYR A 24 26.993 10.473 -7.766 1.00 0.00 C ATOM 373 C TYR A 24 27.308 11.871 -8.328 1.00 0.00 C ATOM 374 O TYR A 24 28.342 12.076 -8.964 1.00 0.00 O ATOM 375 CB TYR A 24 25.939 9.750 -8.623 1.00 0.00 C ATOM 376 CG TYR A 24 26.249 9.661 -10.105 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.397 8.972 -10.543 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.373 10.237 -11.049 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.675 8.865 -11.920 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.636 10.119 -12.426 1.00 0.00 C ATOM 381 CZ TYR A 24 26.793 9.437 -12.865 1.00 0.00 C ATOM 382 OH TYR A 24 27.066 9.312 -14.195 1.00 0.00 O ATOM 0 H TYR A 24 25.516 10.268 -6.289 1.00 0.00 H new ATOM 0 HA TYR A 24 27.936 9.926 -7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.812 8.739 -8.235 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.984 10.261 -8.500 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.065 8.525 -9.822 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.496 10.771 -10.713 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.562 8.346 -12.253 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.955 10.549 -13.146 1.00 0.00 H new ATOM 0 HH TYR A 24 26.366 9.757 -14.716 1.00 0.00 H new ATOM 392 N THR A 25 26.462 12.861 -8.016 1.00 0.00 N ATOM 393 CA THR A 25 26.715 14.283 -8.334 1.00 0.00 C ATOM 394 C THR A 25 27.739 14.944 -7.398 1.00 0.00 C ATOM 395 O THR A 25 28.241 16.023 -7.717 1.00 0.00 O ATOM 396 CB THR A 25 25.423 15.112 -8.303 1.00 0.00 C ATOM 397 OG1 THR A 25 24.812 15.053 -7.036 1.00 0.00 O ATOM 398 CG2 THR A 25 24.401 14.667 -9.352 1.00 0.00 C ATOM 0 H THR A 25 25.577 12.703 -7.534 1.00 0.00 H new ATOM 0 HA THR A 25 27.129 14.273 -9.342 1.00 0.00 H new ATOM 0 HB THR A 25 25.728 16.134 -8.531 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.408 14.169 -6.908 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.510 15.291 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.834 14.767 -10.347 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.130 13.626 -9.177 1.00 0.00 H new ATOM 406 N ASN A 26 28.050 14.310 -6.257 1.00 0.00 N ATOM 407 CA ASN A 26 28.940 14.821 -5.204 1.00 0.00 C ATOM 408 C ASN A 26 28.570 16.254 -4.752 1.00 0.00 C ATOM 409 O ASN A 26 29.433 17.116 -4.565 1.00 0.00 O ATOM 410 CB ASN A 26 30.410 14.622 -5.628 1.00 0.00 C ATOM 411 CG ASN A 26 31.401 14.763 -4.477 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.063 14.690 -3.302 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.671 14.922 -4.780 1.00 0.00 N ATOM 0 H ASN A 26 27.672 13.389 -6.034 1.00 0.00 H new ATOM 0 HA ASN A 26 28.799 14.236 -4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.521 13.633 -6.073 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.658 15.349 -6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.368 14.984 -4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.958 14.983 -5.757 1.00 0.00 H new ATOM 420 N SER A 27 27.262 16.514 -4.636 1.00 0.00 N ATOM 421 CA SER A 27 26.702 17.855 -4.392 1.00 0.00 C ATOM 422 C SER A 27 25.853 17.927 -3.107 1.00 0.00 C ATOM 423 O SER A 27 25.783 16.970 -2.332 1.00 0.00 O ATOM 424 CB SER A 27 25.907 18.295 -5.626 1.00 0.00 C ATOM 425 OG SER A 27 25.729 19.704 -5.600 1.00 0.00 O ATOM 0 H SER A 27 26.549 15.789 -4.710 1.00 0.00 H new ATOM 0 HA SER A 27 27.529 18.546 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 27 26.434 18.001 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.938 17.796 -5.644 1.00 0.00 H new ATOM 0 HG SER A 27 26.270 20.115 -6.306 1.00 0.00 H new ATOM 431 N THR A 28 25.218 19.082 -2.873 1.00 0.00 N ATOM 432 CA THR A 28 24.298 19.322 -1.745 1.00 0.00 C ATOM 433 C THR A 28 22.832 19.196 -2.165 1.00 0.00 C ATOM 434 O THR A 28 22.464 19.468 -3.309 1.00 0.00 O ATOM 435 CB THR A 28 24.615 20.655 -1.037 1.00 0.00 C ATOM 436 OG1 THR A 28 23.731 20.835 0.051 1.00 0.00 O ATOM 437 CG2 THR A 28 24.482 21.893 -1.922 1.00 0.00 C ATOM 0 H THR A 28 25.330 19.898 -3.475 1.00 0.00 H new ATOM 0 HA THR A 28 24.462 18.535 -1.008 1.00 0.00 H new ATOM 0 HB THR A 28 25.658 20.572 -0.732 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.934 21.681 0.501 1.00 0.00 H new ATOM 0 HG21 THR A 28 24.724 22.783 -1.341 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.168 21.813 -2.765 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.459 21.968 -2.292 1.00 0.00 H new ATOM 445 N GLU A 29 21.968 18.799 -1.231 1.00 0.00 N ATOM 446 CA GLU A 29 20.549 18.496 -1.489 1.00 0.00 C ATOM 447 C GLU A 29 19.785 19.722 -2.007 1.00 0.00 C ATOM 448 O GLU A 29 18.919 19.593 -2.869 1.00 0.00 O ATOM 449 CB GLU A 29 19.898 17.963 -0.197 1.00 0.00 C ATOM 450 CG GLU A 29 20.591 16.711 0.358 1.00 0.00 C ATOM 451 CD GLU A 29 19.969 16.251 1.691 1.00 0.00 C ATOM 452 OE1 GLU A 29 20.061 16.988 2.703 1.00 0.00 O ATOM 453 OE2 GLU A 29 19.410 15.130 1.734 1.00 0.00 O ATOM 0 H GLU A 29 22.234 18.675 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 29 20.500 17.736 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.916 18.746 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.851 17.734 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.522 15.904 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.651 16.918 0.505 1.00 0.00 H new ATOM 460 N GLN A 30 20.162 20.927 -1.554 1.00 0.00 N ATOM 461 CA GLN A 30 19.582 22.187 -2.037 1.00 0.00 C ATOM 462 C GLN A 30 19.875 22.409 -3.525 1.00 0.00 C ATOM 463 O GLN A 30 18.987 22.791 -4.278 1.00 0.00 O ATOM 464 CB GLN A 30 20.125 23.369 -1.215 1.00 0.00 C ATOM 465 CG GLN A 30 19.821 23.248 0.287 1.00 0.00 C ATOM 466 CD GLN A 30 20.230 24.509 1.050 1.00 0.00 C ATOM 467 OE1 GLN A 30 19.431 25.396 1.317 1.00 0.00 O ATOM 468 NE2 GLN A 30 21.486 24.651 1.422 1.00 0.00 N ATOM 0 H GLN A 30 20.880 21.054 -0.840 1.00 0.00 H new ATOM 0 HA GLN A 30 18.501 22.124 -1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.204 23.438 -1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.694 24.296 -1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.756 23.066 0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 30 20.349 22.387 0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 30 22.167 23.922 1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 30 21.778 25.490 1.924 1.00 0.00 H new ATOM 477 N GLN A 31 21.099 22.106 -3.971 1.00 0.00 N ATOM 478 CA GLN A 31 21.505 22.250 -5.372 1.00 0.00 C ATOM 479 C GLN A 31 20.831 21.200 -6.271 1.00 0.00 C ATOM 480 O GLN A 31 20.405 21.521 -7.376 1.00 0.00 O ATOM 481 CB GLN A 31 23.042 22.188 -5.445 1.00 0.00 C ATOM 482 CG GLN A 31 23.608 22.697 -6.776 1.00 0.00 C ATOM 483 CD GLN A 31 23.402 24.198 -6.983 1.00 0.00 C ATOM 484 OE1 GLN A 31 22.563 24.637 -7.758 1.00 0.00 O ATOM 485 NE2 GLN A 31 24.141 25.043 -6.292 1.00 0.00 N ATOM 0 H GLN A 31 21.840 21.752 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 31 21.172 23.216 -5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.461 22.779 -4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.365 21.158 -5.291 1.00 0.00 H new ATOM 0 HG2 GLN A 31 24.674 22.474 -6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.135 22.155 -7.595 1.00 0.00 H new ATOM 0 HE21 GLN A 31 24.844 24.692 -5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 31 24.009 26.048 -6.407 1.00 0.00 H new ATOM 494 N PHE A 32 20.653 19.965 -5.778 1.00 0.00 N ATOM 495 CA PHE A 32 19.852 18.942 -6.468 1.00 0.00 C ATOM 496 C PHE A 32 18.376 19.364 -6.588 1.00 0.00 C ATOM 497 O PHE A 32 17.812 19.289 -7.679 1.00 0.00 O ATOM 498 CB PHE A 32 20.050 17.591 -5.752 1.00 0.00 C ATOM 499 CG PHE A 32 19.305 16.375 -6.293 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.847 16.299 -7.627 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.091 15.279 -5.432 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.114 15.180 -8.065 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.376 14.152 -5.880 1.00 0.00 C ATOM 504 CZ PHE A 32 17.865 14.112 -7.188 1.00 0.00 C ATOM 0 H PHE A 32 21.057 19.649 -4.896 1.00 0.00 H new ATOM 0 HA PHE A 32 20.195 18.830 -7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 32 21.115 17.361 -5.763 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.762 17.721 -4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.060 17.104 -8.315 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.478 15.304 -4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.742 15.143 -9.078 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.220 13.315 -5.216 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.283 13.264 -7.517 1.00 0.00 H new ATOM 514 N LEU A 33 17.767 19.897 -5.521 1.00 0.00 N ATOM 515 CA LEU A 33 16.395 20.426 -5.569 1.00 0.00 C ATOM 516 C LEU A 33 16.267 21.598 -6.554 1.00 0.00 C ATOM 517 O LEU A 33 15.358 21.608 -7.379 1.00 0.00 O ATOM 518 CB LEU A 33 15.944 20.757 -4.129 1.00 0.00 C ATOM 519 CG LEU A 33 14.506 21.280 -3.898 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.342 22.761 -4.234 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.453 20.472 -4.662 1.00 0.00 C ATOM 0 H LEU A 33 18.207 19.974 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 33 15.714 19.672 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.067 19.855 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.633 21.501 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 33 14.341 21.152 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.311 23.064 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.011 23.352 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.587 22.925 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.464 20.883 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.659 20.524 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.486 19.432 -4.337 1.00 0.00 H new ATOM 533 N GLU A 34 17.201 22.543 -6.532 1.00 0.00 N ATOM 534 CA GLU A 34 17.201 23.690 -7.453 1.00 0.00 C ATOM 535 C GLU A 34 17.387 23.277 -8.920 1.00 0.00 C ATOM 536 O GLU A 34 16.721 23.821 -9.800 1.00 0.00 O ATOM 537 CB GLU A 34 18.284 24.694 -7.033 1.00 0.00 C ATOM 538 CG GLU A 34 17.872 25.528 -5.817 1.00 0.00 C ATOM 539 CD GLU A 34 16.882 26.644 -6.208 1.00 0.00 C ATOM 540 OE1 GLU A 34 17.335 27.741 -6.623 1.00 0.00 O ATOM 541 OE2 GLU A 34 15.649 26.437 -6.098 1.00 0.00 O ATOM 0 H GLU A 34 17.983 22.542 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 34 16.219 24.159 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.204 24.156 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.502 25.359 -7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.415 24.881 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.758 25.969 -5.360 1.00 0.00 H new ATOM 548 N ALA A 35 18.219 22.271 -9.196 1.00 0.00 N ATOM 549 CA ALA A 35 18.367 21.697 -10.536 1.00 0.00 C ATOM 550 C ALA A 35 17.108 20.935 -10.984 1.00 0.00 C ATOM 551 O ALA A 35 16.709 21.023 -12.145 1.00 0.00 O ATOM 552 CB ALA A 35 19.608 20.801 -10.547 1.00 0.00 C ATOM 0 H ALA A 35 18.812 21.829 -8.494 1.00 0.00 H new ATOM 0 HA ALA A 35 18.494 22.504 -11.258 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.733 20.365 -11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.488 21.395 -10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.488 20.004 -9.813 1.00 0.00 H new ATOM 558 N MET A 36 16.432 20.234 -10.073 1.00 0.00 N ATOM 559 CA MET A 36 15.143 19.592 -10.356 1.00 0.00 C ATOM 560 C MET A 36 14.038 20.627 -10.626 1.00 0.00 C ATOM 561 O MET A 36 13.312 20.485 -11.605 1.00 0.00 O ATOM 562 CB MET A 36 14.777 18.646 -9.202 1.00 0.00 C ATOM 563 CG MET A 36 15.618 17.363 -9.249 1.00 0.00 C ATOM 564 SD MET A 36 15.121 16.189 -10.540 1.00 0.00 S ATOM 565 CE MET A 36 13.653 15.472 -9.749 1.00 0.00 C ATOM 0 H MET A 36 16.761 20.094 -9.118 1.00 0.00 H new ATOM 0 HA MET A 36 15.236 19.004 -11.269 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.934 19.152 -8.249 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.718 18.392 -9.258 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.663 17.633 -9.403 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.557 16.867 -8.280 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.204 14.735 -10.415 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.942 14.989 -8.816 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.930 16.261 -9.540 1.00 0.00 H new ATOM 575 N GLU A 37 13.946 21.711 -9.852 1.00 0.00 N ATOM 576 CA GLU A 37 12.985 22.796 -10.115 1.00 0.00 C ATOM 577 C GLU A 37 13.298 23.544 -11.429 1.00 0.00 C ATOM 578 O GLU A 37 12.384 23.876 -12.186 1.00 0.00 O ATOM 579 CB GLU A 37 12.962 23.770 -8.923 1.00 0.00 C ATOM 580 CG GLU A 37 12.355 23.184 -7.634 1.00 0.00 C ATOM 581 CD GLU A 37 10.812 23.218 -7.615 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.162 22.636 -8.514 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.234 23.797 -6.662 1.00 0.00 O ATOM 0 H GLU A 37 14.529 21.865 -9.030 1.00 0.00 H new ATOM 0 HA GLU A 37 11.998 22.349 -10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.982 24.095 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.396 24.658 -9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.690 22.153 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.734 23.740 -6.777 1.00 0.00 H new ATOM 590 N SER A 38 14.588 23.739 -11.747 1.00 0.00 N ATOM 591 CA SER A 38 15.059 24.324 -13.016 1.00 0.00 C ATOM 592 C SER A 38 14.706 23.469 -14.250 1.00 0.00 C ATOM 593 O SER A 38 14.490 24.014 -15.333 1.00 0.00 O ATOM 594 CB SER A 38 16.583 24.507 -12.921 1.00 0.00 C ATOM 595 OG SER A 38 17.137 25.064 -14.106 1.00 0.00 O ATOM 0 H SER A 38 15.350 23.489 -11.117 1.00 0.00 H new ATOM 0 HA SER A 38 14.551 25.278 -13.156 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.816 25.154 -12.075 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.050 23.542 -12.723 1.00 0.00 H new ATOM 0 HG SER A 38 17.818 25.728 -13.868 1.00 0.00 H new ATOM 601 N THR A 39 14.609 22.142 -14.089 1.00 0.00 N ATOM 602 CA THR A 39 14.364 21.185 -15.192 1.00 0.00 C ATOM 603 C THR A 39 12.937 20.621 -15.228 1.00 0.00 C ATOM 604 O THR A 39 12.611 19.827 -16.113 1.00 0.00 O ATOM 605 CB THR A 39 15.383 20.041 -15.163 1.00 0.00 C ATOM 606 OG1 THR A 39 15.330 19.372 -13.927 1.00 0.00 O ATOM 607 CG2 THR A 39 16.811 20.535 -15.367 1.00 0.00 C ATOM 0 H THR A 39 14.699 21.691 -13.179 1.00 0.00 H new ATOM 0 HA THR A 39 14.487 21.763 -16.108 1.00 0.00 H new ATOM 0 HB THR A 39 15.120 19.371 -15.981 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.801 19.900 -13.249 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.497 19.688 -15.338 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.889 21.033 -16.334 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.069 21.238 -14.575 1.00 0.00 H new ATOM 615 N GLY A 40 12.068 21.020 -14.291 1.00 0.00 N ATOM 616 CA GLY A 40 10.687 20.521 -14.204 1.00 0.00 C ATOM 617 C GLY A 40 10.582 19.078 -13.687 1.00 0.00 C ATOM 618 O GLY A 40 9.659 18.348 -14.056 1.00 0.00 O ATOM 0 H GLY A 40 12.302 21.701 -13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.115 21.175 -13.547 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.227 20.578 -15.190 1.00 0.00 H new ATOM 622 N GLY A 41 11.552 18.650 -12.869 1.00 0.00 N ATOM 623 CA GLY A 41 11.616 17.300 -12.295 1.00 0.00 C ATOM 624 C GLY A 41 12.256 16.244 -13.202 1.00 0.00 C ATOM 625 O GLY A 41 12.085 15.052 -12.952 1.00 0.00 O ATOM 0 H GLY A 41 12.330 19.244 -12.582 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.177 17.344 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.605 16.979 -12.045 1.00 0.00 H new ATOM 629 N ARG A 42 13.001 16.640 -14.246 1.00 0.00 N ATOM 630 CA ARG A 42 13.693 15.695 -15.148 1.00 0.00 C ATOM 631 C ARG A 42 15.025 15.278 -14.533 1.00 0.00 C ATOM 632 O ARG A 42 16.038 15.935 -14.752 1.00 0.00 O ATOM 633 CB ARG A 42 13.865 16.334 -16.544 1.00 0.00 C ATOM 634 CG ARG A 42 12.638 16.174 -17.452 1.00 0.00 C ATOM 635 CD ARG A 42 12.507 14.744 -18.003 1.00 0.00 C ATOM 636 NE ARG A 42 11.442 14.670 -19.027 1.00 0.00 N ATOM 637 CZ ARG A 42 11.005 13.592 -19.656 1.00 0.00 C ATOM 638 NH1 ARG A 42 11.493 12.403 -19.427 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.052 13.686 -20.537 1.00 0.00 N ATOM 0 H ARG A 42 13.143 17.620 -14.491 1.00 0.00 H new ATOM 0 HA ARG A 42 13.095 14.793 -15.275 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.081 17.396 -16.424 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.730 15.887 -17.034 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.738 16.430 -16.893 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.708 16.877 -18.282 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.456 14.428 -18.436 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.283 14.055 -17.189 1.00 0.00 H new ATOM 0 HE ARG A 42 10.993 15.551 -19.276 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.239 12.281 -18.742 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.129 11.596 -19.933 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.638 14.595 -20.746 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.719 12.851 -21.019 1.00 0.00 H new ATOM 653 N VAL A 43 15.037 14.149 -13.819 1.00 0.00 N ATOM 654 CA VAL A 43 16.220 13.640 -13.083 1.00 0.00 C ATOM 655 C VAL A 43 17.460 13.583 -13.979 1.00 0.00 C ATOM 656 O VAL A 43 18.502 14.093 -13.584 1.00 0.00 O ATOM 657 CB VAL A 43 15.924 12.267 -12.433 1.00 0.00 C ATOM 658 CG1 VAL A 43 17.148 11.689 -11.710 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.799 12.382 -11.391 1.00 0.00 C ATOM 0 H VAL A 43 14.218 13.547 -13.728 1.00 0.00 H new ATOM 0 HA VAL A 43 16.437 14.345 -12.281 1.00 0.00 H new ATOM 0 HB VAL A 43 15.635 11.609 -13.252 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.890 10.725 -11.271 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.962 11.556 -12.422 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.463 12.374 -10.923 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.611 11.403 -10.949 1.00 0.00 H new ATOM 0 HG22 VAL A 43 15.097 13.081 -10.610 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.891 12.743 -11.874 1.00 0.00 H new ATOM 669 N ARG A 44 17.345 13.086 -15.219 1.00 0.00 N ATOM 670 CA ARG A 44 18.480 13.007 -16.165 1.00 0.00 C ATOM 671 C ARG A 44 19.103 14.371 -16.494 1.00 0.00 C ATOM 672 O ARG A 44 20.321 14.520 -16.474 1.00 0.00 O ATOM 673 CB ARG A 44 18.071 12.200 -17.419 1.00 0.00 C ATOM 674 CG ARG A 44 17.019 12.852 -18.346 1.00 0.00 C ATOM 675 CD ARG A 44 16.574 11.906 -19.474 1.00 0.00 C ATOM 676 NE ARG A 44 17.692 11.530 -20.363 1.00 0.00 N ATOM 677 CZ ARG A 44 18.119 12.154 -21.450 1.00 0.00 C ATOM 678 NH1 ARG A 44 17.561 13.245 -21.897 1.00 0.00 N ATOM 679 NH2 ARG A 44 19.133 11.689 -22.119 1.00 0.00 N ATOM 0 H ARG A 44 16.469 12.727 -15.598 1.00 0.00 H new ATOM 0 HA ARG A 44 19.286 12.466 -15.668 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.968 12.004 -18.006 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.686 11.234 -17.092 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.150 13.146 -17.757 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.433 13.762 -18.780 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.139 11.006 -19.040 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.792 12.387 -20.061 1.00 0.00 H new ATOM 0 HE ARG A 44 18.199 10.683 -20.107 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.764 13.649 -21.405 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.922 13.694 -22.739 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.604 10.839 -21.807 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.458 12.174 -22.956 1.00 0.00 H new ATOM 693 N ILE A 45 18.267 15.393 -16.702 1.00 0.00 N ATOM 694 CA ILE A 45 18.724 16.761 -17.021 1.00 0.00 C ATOM 695 C ILE A 45 19.268 17.434 -15.753 1.00 0.00 C ATOM 696 O ILE A 45 20.281 18.121 -15.805 1.00 0.00 O ATOM 697 CB ILE A 45 17.614 17.599 -17.710 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.985 16.845 -18.909 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.201 18.938 -18.200 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.864 17.603 -19.639 1.00 0.00 C ATOM 0 H ILE A 45 17.252 15.301 -16.655 1.00 0.00 H new ATOM 0 HA ILE A 45 19.536 16.698 -17.746 1.00 0.00 H new ATOM 0 HB ILE A 45 16.830 17.779 -16.974 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.772 16.613 -19.626 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.588 15.894 -18.553 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.419 19.523 -18.683 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.598 19.494 -17.351 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.002 18.745 -18.913 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.489 16.994 -20.461 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.052 17.812 -18.942 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.255 18.541 -20.032 1.00 0.00 H new ATOM 712 N ALA A 46 18.657 17.193 -14.592 1.00 0.00 N ATOM 713 CA ALA A 46 19.120 17.737 -13.313 1.00 0.00 C ATOM 714 C ALA A 46 20.519 17.204 -12.949 1.00 0.00 C ATOM 715 O ALA A 46 21.424 17.991 -12.677 1.00 0.00 O ATOM 716 CB ALA A 46 18.074 17.421 -12.234 1.00 0.00 C ATOM 0 H ALA A 46 17.823 16.612 -14.511 1.00 0.00 H new ATOM 0 HA ALA A 46 19.225 18.819 -13.390 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.407 17.821 -11.276 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.122 17.876 -12.506 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.950 16.341 -12.153 1.00 0.00 H new ATOM 722 N ILE A 47 20.742 15.885 -13.031 1.00 0.00 N ATOM 723 CA ILE A 47 22.069 15.304 -12.763 1.00 0.00 C ATOM 724 C ILE A 47 23.079 15.698 -13.849 1.00 0.00 C ATOM 725 O ILE A 47 24.222 15.996 -13.513 1.00 0.00 O ATOM 726 CB ILE A 47 22.014 13.783 -12.484 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.707 12.940 -13.738 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.024 13.516 -11.334 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.577 11.432 -13.473 1.00 0.00 C ATOM 0 H ILE A 47 20.026 15.202 -13.279 1.00 0.00 H new ATOM 0 HA ILE A 47 22.434 15.739 -11.833 1.00 0.00 H new ATOM 0 HB ILE A 47 23.009 13.458 -12.179 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.780 13.299 -14.184 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.497 13.101 -14.471 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.981 12.446 -11.132 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.357 14.041 -10.438 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.033 13.872 -11.617 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.361 10.916 -14.408 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.511 11.054 -13.057 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.767 11.255 -12.766 1.00 0.00 H new ATOM 741 N ALA A 48 22.660 15.830 -15.116 1.00 0.00 N ATOM 742 CA ALA A 48 23.507 16.390 -16.172 1.00 0.00 C ATOM 743 C ALA A 48 23.955 17.837 -15.869 1.00 0.00 C ATOM 744 O ALA A 48 25.139 18.152 -16.015 1.00 0.00 O ATOM 745 CB ALA A 48 22.746 16.302 -17.501 1.00 0.00 C ATOM 0 H ALA A 48 21.731 15.553 -15.433 1.00 0.00 H new ATOM 0 HA ALA A 48 24.426 15.807 -16.231 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.361 16.715 -18.301 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.517 15.259 -17.721 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.818 16.869 -17.427 1.00 0.00 H new ATOM 751 N LYS A 49 23.056 18.704 -15.372 1.00 0.00 N ATOM 752 CA LYS A 49 23.407 20.077 -14.957 1.00 0.00 C ATOM 753 C LYS A 49 24.351 20.096 -13.752 1.00 0.00 C ATOM 754 O LYS A 49 25.334 20.825 -13.787 1.00 0.00 O ATOM 755 CB LYS A 49 22.142 20.929 -14.719 1.00 0.00 C ATOM 756 CG LYS A 49 21.459 21.303 -16.046 1.00 0.00 C ATOM 757 CD LYS A 49 20.252 22.249 -15.892 1.00 0.00 C ATOM 758 CE LYS A 49 20.686 23.674 -15.508 1.00 0.00 C ATOM 759 NZ LYS A 49 19.574 24.661 -15.656 1.00 0.00 N ATOM 0 H LYS A 49 22.070 18.476 -15.246 1.00 0.00 H new ATOM 0 HA LYS A 49 23.957 20.533 -15.781 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.443 20.377 -14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.409 21.836 -14.177 1.00 0.00 H new ATOM 0 HG2 LYS A 49 22.194 21.773 -16.700 1.00 0.00 H new ATOM 0 HG3 LYS A 49 21.130 20.390 -16.542 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.693 22.279 -16.827 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.578 21.857 -15.130 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.039 23.679 -14.477 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.525 23.978 -16.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.947 25.624 -15.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.152 24.569 -16.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.849 24.478 -14.934 1.00 0.00 H new ATOM 773 N LEU A 50 24.148 19.239 -12.746 1.00 0.00 N ATOM 774 CA LEU A 50 25.099 19.101 -11.622 1.00 0.00 C ATOM 775 C LEU A 50 26.492 18.650 -12.094 1.00 0.00 C ATOM 776 O LEU A 50 27.494 19.239 -11.695 1.00 0.00 O ATOM 777 CB LEU A 50 24.566 18.093 -10.574 1.00 0.00 C ATOM 778 CG LEU A 50 23.758 18.642 -9.385 1.00 0.00 C ATOM 779 CD1 LEU A 50 24.511 19.728 -8.624 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.406 19.198 -9.803 1.00 0.00 C ATOM 0 H LEU A 50 23.335 18.627 -12.681 1.00 0.00 H new ATOM 0 HA LEU A 50 25.194 20.088 -11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.941 17.369 -11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.420 17.546 -10.173 1.00 0.00 H new ATOM 0 HG LEU A 50 23.604 17.783 -8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.899 20.083 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.445 19.320 -8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.729 20.559 -9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 50 21.879 19.571 -8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.551 20.012 -10.513 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.817 18.409 -10.271 1.00 0.00 H new ATOM 792 N LEU A 51 26.563 17.645 -12.974 1.00 0.00 N ATOM 793 CA LEU A 51 27.836 17.128 -13.493 1.00 0.00 C ATOM 794 C LEU A 51 28.545 18.132 -14.424 1.00 0.00 C ATOM 795 O LEU A 51 29.776 18.163 -14.463 1.00 0.00 O ATOM 796 CB LEU A 51 27.584 15.780 -14.194 1.00 0.00 C ATOM 797 CG LEU A 51 27.191 14.634 -13.238 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.682 13.440 -14.043 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.364 14.158 -12.380 1.00 0.00 C ATOM 0 H LEU A 51 25.742 17.168 -13.346 1.00 0.00 H new ATOM 0 HA LEU A 51 28.515 16.976 -12.654 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.793 15.910 -14.933 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.484 15.492 -14.738 1.00 0.00 H new ATOM 0 HG LEU A 51 26.417 15.028 -12.580 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.406 12.634 -13.363 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.810 13.739 -14.625 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.466 13.094 -14.716 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.033 13.351 -11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.164 13.796 -13.026 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.733 14.987 -11.776 1.00 0.00 H new ATOM 1252 N SER A 85 10.179 10.279 -11.779 1.00 0.00 N ATOM 1253 CA SER A 85 10.474 11.723 -11.786 1.00 0.00 C ATOM 1254 C SER A 85 9.697 12.516 -10.729 1.00 0.00 C ATOM 1255 O SER A 85 10.301 13.225 -9.919 1.00 0.00 O ATOM 1256 CB SER A 85 10.203 12.296 -13.188 1.00 0.00 C ATOM 1257 OG SER A 85 8.911 11.914 -13.649 1.00 0.00 O ATOM 0 HA SER A 85 11.527 11.830 -11.527 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.278 13.383 -13.162 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.962 11.940 -13.884 1.00 0.00 H new ATOM 0 HG SER A 85 8.689 11.025 -13.301 1.00 0.00 H new ATOM 1263 N GLN A 86 8.369 12.374 -10.689 1.00 0.00 N ATOM 1264 CA GLN A 86 7.512 13.117 -9.761 1.00 0.00 C ATOM 1265 C GLN A 86 7.663 12.654 -8.303 1.00 0.00 C ATOM 1266 O GLN A 86 7.637 13.486 -7.401 1.00 0.00 O ATOM 1267 CB GLN A 86 6.048 13.130 -10.244 1.00 0.00 C ATOM 1268 CG GLN A 86 5.403 11.744 -10.415 1.00 0.00 C ATOM 1269 CD GLN A 86 3.943 11.786 -10.873 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.298 12.822 -10.978 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.353 10.642 -11.155 1.00 0.00 N ATOM 0 H GLN A 86 7.857 11.739 -11.301 1.00 0.00 H new ATOM 0 HA GLN A 86 7.857 14.151 -9.764 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.453 13.705 -9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.001 13.655 -11.198 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.983 11.172 -11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.460 11.209 -9.467 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.871 9.767 -11.074 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.378 10.631 -11.454 1.00 0.00 H new ATOM 1280 N GLN A 87 7.896 11.366 -8.040 1.00 0.00 N ATOM 1281 CA GLN A 87 8.103 10.857 -6.675 1.00 0.00 C ATOM 1282 C GLN A 87 9.493 11.202 -6.125 1.00 0.00 C ATOM 1283 O GLN A 87 9.593 11.601 -4.963 1.00 0.00 O ATOM 1284 CB GLN A 87 7.847 9.347 -6.650 1.00 0.00 C ATOM 1285 CG GLN A 87 6.354 9.027 -6.858 1.00 0.00 C ATOM 1286 CD GLN A 87 6.083 7.562 -7.185 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.949 6.799 -7.594 1.00 0.00 O ATOM 1288 NE2 GLN A 87 4.858 7.111 -7.029 1.00 0.00 N ATOM 0 H GLN A 87 7.947 10.646 -8.761 1.00 0.00 H new ATOM 0 HA GLN A 87 7.390 11.352 -6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.436 8.863 -7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.180 8.936 -5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.804 9.297 -5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.967 9.648 -7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.125 7.733 -6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.641 6.139 -7.248 1.00 0.00 H new ATOM 1297 N ILE A 88 10.542 11.145 -6.957 1.00 0.00 N ATOM 1298 CA ILE A 88 11.875 11.662 -6.606 1.00 0.00 C ATOM 1299 C ILE A 88 11.779 13.165 -6.312 1.00 0.00 C ATOM 1300 O ILE A 88 12.254 13.604 -5.269 1.00 0.00 O ATOM 1301 CB ILE A 88 12.907 11.345 -7.719 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.177 9.826 -7.855 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.239 12.094 -7.517 1.00 0.00 C ATOM 1304 CD1 ILE A 88 14.093 9.198 -6.800 1.00 0.00 C ATOM 0 H ILE A 88 10.492 10.740 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 88 12.231 11.163 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 88 12.453 11.698 -8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.220 9.306 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.613 9.643 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.927 11.837 -8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.057 13.169 -7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.677 11.806 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.205 8.133 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.071 9.678 -6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.656 9.335 -5.811 1.00 0.00 H new ATOM 1316 N LEU A 89 11.090 13.949 -7.155 1.00 0.00 N ATOM 1317 CA LEU A 89 10.855 15.376 -6.899 1.00 0.00 C ATOM 1318 C LEU A 89 10.090 15.619 -5.596 1.00 0.00 C ATOM 1319 O LEU A 89 10.555 16.404 -4.778 1.00 0.00 O ATOM 1320 CB LEU A 89 10.129 16.007 -8.108 1.00 0.00 C ATOM 1321 CG LEU A 89 9.720 17.486 -7.933 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.916 18.412 -7.703 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.988 17.973 -9.185 1.00 0.00 C ATOM 0 H LEU A 89 10.683 13.613 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 89 11.824 15.860 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.776 15.927 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.234 15.422 -8.319 1.00 0.00 H new ATOM 0 HG LEU A 89 9.079 17.524 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.565 19.437 -7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.445 18.106 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.591 18.354 -8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.702 19.017 -9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.645 17.881 -10.050 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.095 17.369 -9.342 1.00 0.00 H new ATOM 1335 N ASN A 90 8.960 14.949 -5.363 1.00 0.00 N ATOM 1336 CA ASN A 90 8.140 15.180 -4.170 1.00 0.00 C ATOM 1337 C ASN A 90 8.915 14.858 -2.883 1.00 0.00 C ATOM 1338 O ASN A 90 8.977 15.701 -1.984 1.00 0.00 O ATOM 1339 CB ASN A 90 6.826 14.376 -4.290 1.00 0.00 C ATOM 1340 CG ASN A 90 5.841 14.944 -5.312 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.009 16.016 -5.877 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.752 14.246 -5.556 1.00 0.00 N ATOM 0 H ASN A 90 8.589 14.236 -5.990 1.00 0.00 H new ATOM 0 HA ASN A 90 7.886 16.238 -4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.065 13.348 -4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.342 14.342 -3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.056 14.600 -6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.604 13.351 -5.089 1.00 0.00 H new ATOM 1349 N ARG A 91 9.596 13.702 -2.808 1.00 0.00 N ATOM 1350 CA ARG A 91 10.391 13.356 -1.613 1.00 0.00 C ATOM 1351 C ARG A 91 11.623 14.247 -1.462 1.00 0.00 C ATOM 1352 O ARG A 91 11.934 14.624 -0.341 1.00 0.00 O ATOM 1353 CB ARG A 91 10.722 11.848 -1.571 1.00 0.00 C ATOM 1354 CG ARG A 91 10.747 11.341 -0.112 1.00 0.00 C ATOM 1355 CD ARG A 91 11.149 9.863 0.001 1.00 0.00 C ATOM 1356 NE ARG A 91 10.611 9.251 1.237 1.00 0.00 N ATOM 1357 CZ ARG A 91 11.203 9.053 2.403 1.00 0.00 C ATOM 1358 NH1 ARG A 91 12.387 9.496 2.712 1.00 0.00 N ATOM 1359 NH2 ARG A 91 10.586 8.368 3.308 1.00 0.00 N ATOM 0 H ARG A 91 9.614 13.000 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 91 9.774 13.559 -0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.981 11.291 -2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.689 11.668 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.445 11.947 0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.761 11.479 0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.781 9.317 -0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.236 9.778 -0.006 1.00 0.00 H new ATOM 0 HE ARG A 91 9.642 8.936 1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.923 10.036 2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.779 9.303 3.634 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.658 7.990 3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.027 8.205 4.213 1.00 0.00 H new ATOM 1373 N LEU A 92 12.259 14.680 -2.557 1.00 0.00 N ATOM 1374 CA LEU A 92 13.371 15.644 -2.500 1.00 0.00 C ATOM 1375 C LEU A 92 12.903 17.029 -2.031 1.00 0.00 C ATOM 1376 O LEU A 92 13.570 17.653 -1.213 1.00 0.00 O ATOM 1377 CB LEU A 92 14.040 15.704 -3.888 1.00 0.00 C ATOM 1378 CG LEU A 92 15.247 16.654 -4.010 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.438 16.206 -3.164 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.676 16.698 -5.472 1.00 0.00 C ATOM 0 H LEU A 92 12.022 14.377 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 92 14.100 15.310 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.364 14.699 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.290 16.004 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 92 14.938 17.634 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.259 16.912 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.146 16.171 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.760 15.215 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.530 17.366 -5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.954 15.696 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.850 17.063 -6.083 1.00 0.00 H new ATOM 1392 N ARG A 93 11.738 17.495 -2.496 1.00 0.00 N ATOM 1393 CA ARG A 93 11.196 18.823 -2.163 1.00 0.00 C ATOM 1394 C ARG A 93 10.762 18.884 -0.706 1.00 0.00 C ATOM 1395 O ARG A 93 11.102 19.843 -0.027 1.00 0.00 O ATOM 1396 CB ARG A 93 10.078 19.175 -3.165 1.00 0.00 C ATOM 1397 CG ARG A 93 9.666 20.656 -3.124 1.00 0.00 C ATOM 1398 CD ARG A 93 8.695 20.982 -4.273 1.00 0.00 C ATOM 1399 NE ARG A 93 8.773 22.399 -4.671 1.00 0.00 N ATOM 1400 CZ ARG A 93 8.149 23.448 -4.178 1.00 0.00 C ATOM 1401 NH1 ARG A 93 7.314 23.387 -3.177 1.00 0.00 N ATOM 1402 NH2 ARG A 93 8.387 24.600 -4.724 1.00 0.00 N ATOM 0 H ARG A 93 11.137 16.957 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 93 11.969 19.585 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.411 18.926 -4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.205 18.557 -2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.194 20.881 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.551 21.287 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.923 20.350 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.676 20.746 -3.966 1.00 0.00 H new ATOM 0 HE ARG A 93 9.406 22.597 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.115 22.491 -2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.860 24.236 -2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.038 24.669 -5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.923 25.437 -4.371 1.00 0.00 H new ATOM 1416 N GLU A 94 10.136 17.828 -0.190 1.00 0.00 N ATOM 1417 CA GLU A 94 9.859 17.685 1.250 1.00 0.00 C ATOM 1418 C GLU A 94 11.151 17.631 2.080 1.00 0.00 C ATOM 1419 O GLU A 94 11.339 18.446 2.983 1.00 0.00 O ATOM 1420 CB GLU A 94 9.025 16.411 1.483 1.00 0.00 C ATOM 1421 CG GLU A 94 7.580 16.563 1.001 1.00 0.00 C ATOM 1422 CD GLU A 94 6.797 17.607 1.828 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.856 17.565 3.082 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.122 18.477 1.226 1.00 0.00 O ATOM 0 H GLU A 94 9.804 17.044 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 94 9.300 18.562 1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.492 15.574 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.027 16.168 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.578 16.857 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.075 15.599 1.063 1.00 0.00 H new ATOM 1431 N ARG A 95 12.074 16.725 1.724 1.00 0.00 N ATOM 1432 CA ARG A 95 13.345 16.488 2.439 1.00 0.00 C ATOM 1433 C ARG A 95 14.240 17.734 2.501 1.00 0.00 C ATOM 1434 O ARG A 95 14.925 17.941 3.501 1.00 0.00 O ATOM 1435 CB ARG A 95 14.017 15.283 1.752 1.00 0.00 C ATOM 1436 CG ARG A 95 15.384 14.853 2.295 1.00 0.00 C ATOM 1437 CD ARG A 95 15.805 13.530 1.626 1.00 0.00 C ATOM 1438 NE ARG A 95 17.259 13.363 1.677 1.00 0.00 N ATOM 1439 CZ ARG A 95 17.970 12.266 1.513 1.00 0.00 C ATOM 1440 NH1 ARG A 95 17.479 11.084 1.323 1.00 0.00 N ATOM 1441 NH2 ARG A 95 19.254 12.381 1.533 1.00 0.00 N ATOM 0 H ARG A 95 11.958 16.120 0.911 1.00 0.00 H new ATOM 0 HA ARG A 95 13.158 16.264 3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.340 14.431 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.130 15.515 0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.126 15.626 2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.335 14.727 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.320 12.693 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.469 13.518 0.589 1.00 0.00 H new ATOM 0 HE ARG A 95 17.794 14.211 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.468 10.951 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.103 10.286 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 95 19.682 13.296 1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.842 11.557 1.410 1.00 0.00 H new ATOM 1455 N VAL A 96 14.199 18.580 1.467 1.00 0.00 N ATOM 1456 CA VAL A 96 14.931 19.862 1.415 1.00 0.00 C ATOM 1457 C VAL A 96 14.166 21.021 2.071 1.00 0.00 C ATOM 1458 O VAL A 96 14.787 21.842 2.749 1.00 0.00 O ATOM 1459 CB VAL A 96 15.337 20.179 -0.038 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.941 21.576 -0.215 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.404 19.172 -0.479 1.00 0.00 C ATOM 0 H VAL A 96 13.650 18.396 0.627 1.00 0.00 H new ATOM 0 HA VAL A 96 15.837 19.747 2.011 1.00 0.00 H new ATOM 0 HB VAL A 96 14.425 20.125 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.203 21.729 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.214 22.328 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.837 21.666 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.702 19.384 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.273 19.253 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.998 18.162 -0.420 1.00 0.00 H new ATOM 1471 N SER A 97 12.837 21.099 1.914 1.00 0.00 N ATOM 1472 CA SER A 97 12.041 22.207 2.481 1.00 0.00 C ATOM 1473 C SER A 97 11.922 22.132 4.012 1.00 0.00 C ATOM 1474 O SER A 97 11.884 23.170 4.680 1.00 0.00 O ATOM 1475 CB SER A 97 10.628 22.260 1.886 1.00 0.00 C ATOM 1476 OG SER A 97 10.677 22.477 0.485 1.00 0.00 O ATOM 0 H SER A 97 12.287 20.411 1.400 1.00 0.00 H new ATOM 0 HA SER A 97 12.586 23.113 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.106 21.327 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.058 23.058 2.362 1.00 0.00 H new ATOM 0 HG SER A 97 10.849 21.627 0.028 1.00 0.00 H new