USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 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 25 THR OG1 : rot -75:sc= 1.82 USER MOD Set 1.2: A 27 SER OG : rot -94:sc= 1.12 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.25) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.474 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 31 GLN : amide:sc= 0.457 K(o=0.46,f=-3.3!) USER MOD Single : A 36 MET CE :methyl -177:sc= -0.234 (180deg=-0.238) USER MOD Single : A 38 SER OG : rot 67:sc= 1.17 USER MOD Single : A 39 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 60:sc= 0.803 USER MOD Single : A 86 GLN : amide:sc= -0.0384 X(o=-0.038,f=-0.5) USER MOD Single : A 87 GLN : amide:sc=-0.00383 K(o=-0.0038,f=-0.64) USER MOD Single : A 90 ASN : amide:sc= 0.785 K(o=0.79,f=-5.8!) USER MOD Single : A 97 SER OG : rot -76:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 12.983 3.273 -0.829 1.00 0.00 N ATOM 197 CA GLU A 13 13.505 3.114 -2.195 1.00 0.00 C ATOM 198 C GLU A 13 13.792 4.480 -2.846 1.00 0.00 C ATOM 199 O GLU A 13 14.795 4.648 -3.539 1.00 0.00 O ATOM 200 CB GLU A 13 12.515 2.322 -3.063 1.00 0.00 C ATOM 201 CG GLU A 13 12.333 0.875 -2.591 1.00 0.00 C ATOM 202 CD GLU A 13 13.615 0.035 -2.781 1.00 0.00 C ATOM 203 OE1 GLU A 13 13.974 -0.287 -3.941 1.00 0.00 O ATOM 204 OE2 GLU A 13 14.276 -0.310 -1.770 1.00 0.00 O ATOM 0 HA GLU A 13 14.442 2.561 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.548 2.826 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.865 2.321 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.050 0.871 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.514 0.415 -3.143 1.00 0.00 H new ATOM 211 N VAL A 14 12.937 5.474 -2.574 1.00 0.00 N ATOM 212 CA VAL A 14 13.095 6.845 -3.091 1.00 0.00 C ATOM 213 C VAL A 14 14.184 7.605 -2.324 1.00 0.00 C ATOM 214 O VAL A 14 14.982 8.306 -2.940 1.00 0.00 O ATOM 215 CB VAL A 14 11.759 7.612 -3.078 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.883 8.912 -3.883 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.607 6.811 -3.704 1.00 0.00 C ATOM 0 H VAL A 14 12.112 5.352 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 14 13.415 6.769 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 14 11.538 7.804 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.931 9.443 -3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.658 9.540 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.148 8.678 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.691 7.401 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.847 6.578 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.464 5.884 -3.148 1.00 0.00 H new ATOM 227 N ASP A 15 14.287 7.422 -1.003 1.00 0.00 N ATOM 228 CA ASP A 15 15.405 7.941 -0.199 1.00 0.00 C ATOM 229 C ASP A 15 16.756 7.372 -0.673 1.00 0.00 C ATOM 230 O ASP A 15 17.721 8.121 -0.836 1.00 0.00 O ATOM 231 CB ASP A 15 15.189 7.597 1.287 1.00 0.00 C ATOM 232 CG ASP A 15 14.107 8.444 1.965 1.00 0.00 C ATOM 233 OD1 ASP A 15 14.028 9.660 1.675 1.00 0.00 O ATOM 234 OD2 ASP A 15 13.378 7.947 2.852 1.00 0.00 O ATOM 0 H ASP A 15 13.596 6.908 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 15 15.431 9.023 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.920 6.544 1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.130 7.729 1.822 1.00 0.00 H new ATOM 239 N GLU A 16 16.824 6.065 -0.954 1.00 0.00 N ATOM 240 CA GLU A 16 18.012 5.424 -1.525 1.00 0.00 C ATOM 241 C GLU A 16 18.341 5.965 -2.924 1.00 0.00 C ATOM 242 O GLU A 16 19.504 6.253 -3.209 1.00 0.00 O ATOM 243 CB GLU A 16 17.816 3.898 -1.552 1.00 0.00 C ATOM 244 CG GLU A 16 19.017 3.181 -2.184 1.00 0.00 C ATOM 245 CD GLU A 16 18.883 1.650 -2.064 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.203 1.092 -0.985 1.00 0.00 O ATOM 247 OE2 GLU A 16 18.477 0.988 -3.052 1.00 0.00 O ATOM 0 H GLU A 16 16.051 5.420 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 16 18.865 5.662 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.668 3.532 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.913 3.657 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.098 3.460 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.936 3.507 -1.696 1.00 0.00 H new ATOM 254 N ALA A 17 17.341 6.151 -3.793 1.00 0.00 N ATOM 255 CA ALA A 17 17.560 6.732 -5.115 1.00 0.00 C ATOM 256 C ALA A 17 18.091 8.179 -5.023 1.00 0.00 C ATOM 257 O ALA A 17 19.061 8.527 -5.701 1.00 0.00 O ATOM 258 CB ALA A 17 16.256 6.659 -5.920 1.00 0.00 C ATOM 0 H ALA A 17 16.370 5.905 -3.600 1.00 0.00 H new ATOM 0 HA ALA A 17 18.328 6.156 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.414 7.091 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.950 5.618 -6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.476 7.216 -5.401 1.00 0.00 H new ATOM 264 N ILE A 18 17.516 8.999 -4.134 1.00 0.00 N ATOM 265 CA ILE A 18 17.989 10.367 -3.875 1.00 0.00 C ATOM 266 C ILE A 18 19.441 10.344 -3.388 1.00 0.00 C ATOM 267 O ILE A 18 20.269 11.036 -3.972 1.00 0.00 O ATOM 268 CB ILE A 18 17.041 11.097 -2.890 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.748 11.479 -3.641 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.685 12.356 -2.272 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.595 11.881 -2.718 1.00 0.00 C ATOM 0 H ILE A 18 16.707 8.733 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 18 17.972 10.935 -4.805 1.00 0.00 H new ATOM 0 HB ILE A 18 16.822 10.420 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.963 12.305 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.433 10.636 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.978 12.829 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.584 12.073 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.948 13.056 -3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.721 12.136 -3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.352 11.050 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.890 12.744 -2.122 1.00 0.00 H new ATOM 283 N ASP A 19 19.782 9.512 -2.400 1.00 0.00 N ATOM 284 CA ASP A 19 21.161 9.360 -1.920 1.00 0.00 C ATOM 285 C ASP A 19 22.126 8.889 -3.023 1.00 0.00 C ATOM 286 O ASP A 19 23.241 9.407 -3.114 1.00 0.00 O ATOM 287 CB ASP A 19 21.173 8.380 -0.741 1.00 0.00 C ATOM 288 CG ASP A 19 22.604 8.106 -0.260 1.00 0.00 C ATOM 289 OD1 ASP A 19 23.121 8.845 0.608 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.245 7.146 -0.741 1.00 0.00 O ATOM 0 H ASP A 19 19.109 8.923 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 19 21.516 10.340 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.583 8.788 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.701 7.444 -1.039 1.00 0.00 H new ATOM 295 N ASN A 20 21.700 7.970 -3.898 1.00 0.00 N ATOM 296 CA ASN A 20 22.508 7.502 -5.024 1.00 0.00 C ATOM 297 C ASN A 20 22.827 8.640 -6.011 1.00 0.00 C ATOM 298 O ASN A 20 23.992 8.820 -6.375 1.00 0.00 O ATOM 299 CB ASN A 20 21.785 6.324 -5.702 1.00 0.00 C ATOM 300 CG ASN A 20 22.595 5.759 -6.859 1.00 0.00 C ATOM 301 OD1 ASN A 20 22.402 6.109 -8.014 1.00 0.00 O ATOM 302 ND2 ASN A 20 23.537 4.882 -6.588 1.00 0.00 N ATOM 0 H ASN A 20 20.781 7.530 -3.842 1.00 0.00 H new ATOM 0 HA ASN A 20 23.473 7.154 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.601 5.539 -4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 20 20.812 6.655 -6.066 1.00 0.00 H new ATOM 0 HD21 ASN A 20 24.105 4.495 -7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 20 23.699 4.589 -5.625 1.00 0.00 H new ATOM 309 N ILE A 21 21.831 9.460 -6.382 1.00 0.00 N ATOM 310 CA ILE A 21 22.067 10.661 -7.205 1.00 0.00 C ATOM 311 C ILE A 21 22.953 11.664 -6.449 1.00 0.00 C ATOM 312 O ILE A 21 23.879 12.228 -7.032 1.00 0.00 O ATOM 313 CB ILE A 21 20.729 11.287 -7.688 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.217 10.620 -8.984 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.893 12.795 -7.982 1.00 0.00 C ATOM 316 CD1 ILE A 21 19.663 9.202 -8.821 1.00 0.00 C ATOM 0 H ILE A 21 20.854 9.315 -6.126 1.00 0.00 H new ATOM 0 HA ILE A 21 22.608 10.368 -8.105 1.00 0.00 H new ATOM 0 HB ILE A 21 20.014 11.128 -6.880 1.00 0.00 H new ATOM 0 HG12 ILE A 21 19.437 11.249 -9.412 1.00 0.00 H new ATOM 0 HG13 ILE A 21 21.034 10.591 -9.705 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.941 13.206 -8.318 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.211 13.310 -7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.643 12.934 -8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 21 19.331 8.827 -9.789 1.00 0.00 H new ATOM 0 HD12 ILE A 21 20.443 8.550 -8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.820 9.218 -8.130 1.00 0.00 H new ATOM 328 N LEU A 22 22.704 11.867 -5.156 1.00 0.00 N ATOM 329 CA LEU A 22 23.417 12.833 -4.321 1.00 0.00 C ATOM 330 C LEU A 22 24.927 12.533 -4.258 1.00 0.00 C ATOM 331 O LEU A 22 25.739 13.438 -4.455 1.00 0.00 O ATOM 332 CB LEU A 22 22.748 12.798 -2.932 1.00 0.00 C ATOM 333 CG LEU A 22 23.108 13.950 -1.995 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.493 15.262 -2.487 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.556 13.657 -0.598 1.00 0.00 C ATOM 0 H LEU A 22 21.984 11.353 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 22 23.350 13.835 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.667 12.790 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 22 23.014 11.860 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 22 24.194 14.046 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 22 22.762 16.068 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 22 22.870 15.489 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.408 15.164 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.811 14.477 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.472 13.554 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.991 12.731 -0.222 1.00 0.00 H new ATOM 347 N ARG A 23 25.312 11.260 -4.071 1.00 0.00 N ATOM 348 CA ARG A 23 26.731 10.841 -4.102 1.00 0.00 C ATOM 349 C ARG A 23 27.318 10.761 -5.518 1.00 0.00 C ATOM 350 O ARG A 23 28.483 11.108 -5.698 1.00 0.00 O ATOM 351 CB ARG A 23 26.962 9.573 -3.257 1.00 0.00 C ATOM 352 CG ARG A 23 26.383 8.271 -3.834 1.00 0.00 C ATOM 353 CD ARG A 23 26.566 7.068 -2.893 1.00 0.00 C ATOM 354 NE ARG A 23 25.930 7.284 -1.575 1.00 0.00 N ATOM 355 CZ ARG A 23 26.504 7.481 -0.403 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.796 7.432 -0.223 1.00 0.00 N ATOM 357 NH2 ARG A 23 25.755 7.751 0.622 1.00 0.00 N ATOM 0 H ARG A 23 24.659 10.496 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 23 27.305 11.637 -3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 23 28.035 9.442 -3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 23 26.531 9.734 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 23 25.321 8.410 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 23 26.864 8.056 -4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.141 6.178 -3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.630 6.877 -2.754 1.00 0.00 H new ATOM 0 HE ARG A 23 24.910 7.280 -1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.413 7.234 -1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 23 28.188 7.592 0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 23 24.742 7.808 0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 23 26.179 7.907 1.537 1.00 0.00 H new ATOM 371 N TYR A 24 26.523 10.391 -6.530 1.00 0.00 N ATOM 372 CA TYR A 24 26.961 10.399 -7.937 1.00 0.00 C ATOM 373 C TYR A 24 27.309 11.814 -8.446 1.00 0.00 C ATOM 374 O TYR A 24 28.322 12.002 -9.125 1.00 0.00 O ATOM 375 CB TYR A 24 25.864 9.759 -8.806 1.00 0.00 C ATOM 376 CG TYR A 24 26.150 9.776 -10.297 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.150 8.941 -10.833 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.417 10.628 -11.147 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.418 8.957 -12.216 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.679 10.645 -12.530 1.00 0.00 C ATOM 381 CZ TYR A 24 26.682 9.809 -13.069 1.00 0.00 C ATOM 382 OH TYR A 24 26.931 9.836 -14.409 1.00 0.00 O ATOM 0 H TYR A 24 25.561 10.078 -6.400 1.00 0.00 H new ATOM 0 HA TYR A 24 27.881 9.818 -8.008 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.723 8.726 -8.488 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.924 10.280 -8.623 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.712 8.287 -10.183 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.652 11.270 -10.736 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.187 8.317 -12.624 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.113 11.297 -13.179 1.00 0.00 H new ATOM 0 HH TYR A 24 26.330 10.479 -14.840 1.00 0.00 H new ATOM 392 N THR A 25 26.507 12.821 -8.074 1.00 0.00 N ATOM 393 CA THR A 25 26.745 14.236 -8.435 1.00 0.00 C ATOM 394 C THR A 25 27.634 15.000 -7.445 1.00 0.00 C ATOM 395 O THR A 25 28.035 16.126 -7.744 1.00 0.00 O ATOM 396 CB THR A 25 25.427 15.010 -8.567 1.00 0.00 C ATOM 397 OG1 THR A 25 24.730 14.976 -7.341 1.00 0.00 O ATOM 398 CG2 THR A 25 24.507 14.459 -9.648 1.00 0.00 C ATOM 0 H THR A 25 25.668 12.682 -7.511 1.00 0.00 H new ATOM 0 HA THR A 25 27.269 14.181 -9.389 1.00 0.00 H new ATOM 0 HB THR A 25 25.700 16.027 -8.847 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.328 14.091 -7.218 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.594 15.053 -9.687 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.011 14.505 -10.613 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.256 13.423 -9.419 1.00 0.00 H new ATOM 406 N ASN A 26 27.919 14.424 -6.267 1.00 0.00 N ATOM 407 CA ASN A 26 28.568 15.091 -5.127 1.00 0.00 C ATOM 408 C ASN A 26 27.837 16.376 -4.645 1.00 0.00 C ATOM 409 O ASN A 26 28.410 17.206 -3.939 1.00 0.00 O ATOM 410 CB ASN A 26 30.073 15.251 -5.446 1.00 0.00 C ATOM 411 CG ASN A 26 30.902 15.739 -4.268 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.060 15.058 -3.265 1.00 0.00 O ATOM 413 ND2 ASN A 26 31.467 16.923 -4.356 1.00 0.00 N ATOM 0 H ASN A 26 27.696 13.447 -6.075 1.00 0.00 H new ATOM 0 HA ASN A 26 28.486 14.462 -4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.467 14.292 -5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.187 15.951 -6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 26 32.038 17.274 -3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 26 31.335 17.490 -5.193 1.00 0.00 H new ATOM 420 N SER A 27 26.569 16.565 -5.030 1.00 0.00 N ATOM 421 CA SER A 27 25.798 17.783 -4.737 1.00 0.00 C ATOM 422 C SER A 27 25.188 17.790 -3.323 1.00 0.00 C ATOM 423 O SER A 27 25.240 16.795 -2.595 1.00 0.00 O ATOM 424 CB SER A 27 24.715 17.983 -5.806 1.00 0.00 C ATOM 425 OG SER A 27 23.736 16.962 -5.743 1.00 0.00 O ATOM 0 H SER A 27 26.042 15.870 -5.559 1.00 0.00 H new ATOM 0 HA SER A 27 26.496 18.620 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.240 18.954 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.174 17.990 -6.795 1.00 0.00 H new ATOM 0 HG SER A 27 23.970 16.246 -6.370 1.00 0.00 H new ATOM 431 N THR A 28 24.637 18.940 -2.914 1.00 0.00 N ATOM 432 CA THR A 28 23.780 19.046 -1.717 1.00 0.00 C ATOM 433 C THR A 28 22.324 18.777 -2.115 1.00 0.00 C ATOM 434 O THR A 28 21.949 18.945 -3.276 1.00 0.00 O ATOM 435 CB THR A 28 23.900 20.413 -1.023 1.00 0.00 C ATOM 436 OG1 THR A 28 23.332 21.412 -1.838 1.00 0.00 O ATOM 437 CG2 THR A 28 25.341 20.825 -0.744 1.00 0.00 C ATOM 0 H THR A 28 24.770 19.826 -3.401 1.00 0.00 H new ATOM 0 HA THR A 28 24.118 18.300 -0.997 1.00 0.00 H new ATOM 0 HB THR A 28 23.378 20.311 -0.071 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.409 22.281 -1.392 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.353 21.798 -0.254 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.812 20.086 -0.095 1.00 0.00 H new ATOM 0 HG23 THR A 28 25.891 20.885 -1.683 1.00 0.00 H new ATOM 445 N GLU A 29 21.445 18.418 -1.171 1.00 0.00 N ATOM 446 CA GLU A 29 20.021 18.234 -1.507 1.00 0.00 C ATOM 447 C GLU A 29 19.354 19.554 -1.925 1.00 0.00 C ATOM 448 O GLU A 29 18.467 19.542 -2.772 1.00 0.00 O ATOM 449 CB GLU A 29 19.267 17.528 -0.370 1.00 0.00 C ATOM 450 CG GLU A 29 19.708 16.063 -0.243 1.00 0.00 C ATOM 451 CD GLU A 29 18.831 15.276 0.745 1.00 0.00 C ATOM 452 OE1 GLU A 29 17.608 15.147 0.513 1.00 0.00 O ATOM 453 OE2 GLU A 29 19.358 14.718 1.738 1.00 0.00 O ATOM 0 H GLU A 29 21.682 18.252 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 29 19.970 17.579 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.449 18.049 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.194 17.574 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.666 15.587 -1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 29 20.747 16.025 0.086 1.00 0.00 H new ATOM 460 N GLN A 30 19.841 20.703 -1.434 1.00 0.00 N ATOM 461 CA GLN A 30 19.417 22.026 -1.921 1.00 0.00 C ATOM 462 C GLN A 30 19.838 22.259 -3.386 1.00 0.00 C ATOM 463 O GLN A 30 19.017 22.695 -4.192 1.00 0.00 O ATOM 464 CB GLN A 30 19.985 23.134 -1.018 1.00 0.00 C ATOM 465 CG GLN A 30 19.357 23.134 0.388 1.00 0.00 C ATOM 466 CD GLN A 30 19.888 24.250 1.294 1.00 0.00 C ATOM 467 OE1 GLN A 30 20.756 25.045 0.947 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.381 24.359 2.507 1.00 0.00 N ATOM 0 H GLN A 30 20.538 20.743 -0.690 1.00 0.00 H new ATOM 0 HA GLN A 30 18.328 22.058 -1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.064 23.008 -0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.815 24.103 -1.488 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.276 23.236 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.546 22.171 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.658 23.710 2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.712 25.093 3.134 1.00 0.00 H new ATOM 477 N GLN A 31 21.075 21.904 -3.756 1.00 0.00 N ATOM 478 CA GLN A 31 21.547 21.966 -5.151 1.00 0.00 C ATOM 479 C GLN A 31 20.745 21.023 -6.057 1.00 0.00 C ATOM 480 O GLN A 31 20.369 21.411 -7.161 1.00 0.00 O ATOM 481 CB GLN A 31 23.045 21.616 -5.210 1.00 0.00 C ATOM 482 CG GLN A 31 23.949 22.745 -4.685 1.00 0.00 C ATOM 483 CD GLN A 31 25.385 22.306 -4.380 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.783 21.155 -4.527 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.213 23.218 -3.920 1.00 0.00 N ATOM 0 H GLN A 31 21.779 21.566 -3.100 1.00 0.00 H new ATOM 0 HA GLN A 31 21.398 22.982 -5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.225 20.713 -4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.319 21.389 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.975 23.548 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.507 23.158 -3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.894 24.179 -3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.174 22.965 -3.690 1.00 0.00 H new ATOM 494 N PHE A 32 20.425 19.810 -5.591 1.00 0.00 N ATOM 495 CA PHE A 32 19.598 18.861 -6.343 1.00 0.00 C ATOM 496 C PHE A 32 18.144 19.350 -6.499 1.00 0.00 C ATOM 497 O PHE A 32 17.606 19.305 -7.604 1.00 0.00 O ATOM 498 CB PHE A 32 19.716 17.483 -5.665 1.00 0.00 C ATOM 499 CG PHE A 32 19.028 16.288 -6.311 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.589 16.294 -7.652 1.00 0.00 C ATOM 501 CD2 PHE A 32 18.849 15.125 -5.536 1.00 0.00 C ATOM 502 CE1 PHE A 32 17.929 15.174 -8.190 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.194 14.004 -6.076 1.00 0.00 C ATOM 504 CZ PHE A 32 17.721 14.032 -7.398 1.00 0.00 C ATOM 0 H PHE A 32 20.732 19.460 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 32 19.962 18.777 -7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.777 17.247 -5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.328 17.579 -4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.761 17.164 -8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.217 15.094 -4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.582 15.192 -9.213 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.054 13.119 -5.473 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.199 13.178 -7.805 1.00 0.00 H new ATOM 514 N LEU A 33 17.528 19.898 -5.444 1.00 0.00 N ATOM 515 CA LEU A 33 16.179 20.483 -5.509 1.00 0.00 C ATOM 516 C LEU A 33 16.140 21.661 -6.493 1.00 0.00 C ATOM 517 O LEU A 33 15.283 21.707 -7.375 1.00 0.00 O ATOM 518 CB LEU A 33 15.736 20.830 -4.066 1.00 0.00 C ATOM 519 CG LEU A 33 14.292 21.324 -3.805 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.055 22.761 -4.260 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.239 20.422 -4.450 1.00 0.00 C ATOM 0 H LEU A 33 17.951 19.949 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 33 15.455 19.773 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.891 19.941 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.415 21.596 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 33 14.184 21.284 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.024 23.044 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.732 23.428 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.240 22.839 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.244 20.813 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.394 20.395 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.327 19.414 -4.046 1.00 0.00 H new ATOM 533 N GLU A 34 17.132 22.550 -6.426 1.00 0.00 N ATOM 534 CA GLU A 34 17.276 23.680 -7.356 1.00 0.00 C ATOM 535 C GLU A 34 17.512 23.235 -8.807 1.00 0.00 C ATOM 536 O GLU A 34 16.919 23.800 -9.725 1.00 0.00 O ATOM 537 CB GLU A 34 18.403 24.600 -6.856 1.00 0.00 C ATOM 538 CG GLU A 34 18.548 25.872 -7.697 1.00 0.00 C ATOM 539 CD GLU A 34 19.597 26.819 -7.082 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.811 26.650 -7.351 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.216 27.751 -6.330 1.00 0.00 O ATOM 0 H GLU A 34 17.867 22.509 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 34 16.335 24.229 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.208 24.875 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.345 24.052 -6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.840 25.610 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.586 26.381 -7.763 1.00 0.00 H new ATOM 548 N ALA A 35 18.317 22.192 -9.030 1.00 0.00 N ATOM 549 CA ALA A 35 18.539 21.619 -10.360 1.00 0.00 C ATOM 550 C ALA A 35 17.269 20.971 -10.935 1.00 0.00 C ATOM 551 O ALA A 35 16.979 21.131 -12.120 1.00 0.00 O ATOM 552 CB ALA A 35 19.703 20.624 -10.281 1.00 0.00 C ATOM 0 H ALA A 35 18.835 21.720 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 35 18.797 22.421 -11.051 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.878 20.190 -11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.602 21.142 -9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.457 19.832 -9.574 1.00 0.00 H new ATOM 558 N MET A 36 16.466 20.292 -10.110 1.00 0.00 N ATOM 559 CA MET A 36 15.167 19.747 -10.526 1.00 0.00 C ATOM 560 C MET A 36 14.161 20.856 -10.859 1.00 0.00 C ATOM 561 O MET A 36 13.522 20.783 -11.904 1.00 0.00 O ATOM 562 CB MET A 36 14.623 18.803 -9.441 1.00 0.00 C ATOM 563 CG MET A 36 15.415 17.489 -9.357 1.00 0.00 C ATOM 564 SD MET A 36 15.146 16.344 -10.739 1.00 0.00 S ATOM 565 CE MET A 36 13.544 15.638 -10.281 1.00 0.00 C ATOM 0 H MET A 36 16.697 20.104 -9.134 1.00 0.00 H new ATOM 0 HA MET A 36 15.316 19.177 -11.443 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.657 19.307 -8.475 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.576 18.581 -9.648 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.478 17.725 -9.302 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.152 16.982 -8.428 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.263 14.874 -11.005 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.614 15.190 -9.290 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.789 16.424 -10.272 1.00 0.00 H new ATOM 575 N GLU A 37 14.074 21.927 -10.063 1.00 0.00 N ATOM 576 CA GLU A 37 13.243 23.096 -10.402 1.00 0.00 C ATOM 577 C GLU A 37 13.726 23.810 -11.681 1.00 0.00 C ATOM 578 O GLU A 37 12.908 24.244 -12.495 1.00 0.00 O ATOM 579 CB GLU A 37 13.222 24.097 -9.237 1.00 0.00 C ATOM 580 CG GLU A 37 12.410 23.596 -8.037 1.00 0.00 C ATOM 581 CD GLU A 37 12.210 24.707 -6.985 1.00 0.00 C ATOM 582 OE1 GLU A 37 13.192 25.376 -6.581 1.00 0.00 O ATOM 583 OE2 GLU A 37 11.051 24.927 -6.554 1.00 0.00 O ATOM 0 H GLU A 37 14.569 22.012 -9.175 1.00 0.00 H new ATOM 0 HA GLU A 37 12.236 22.721 -10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.245 24.299 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.804 25.042 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.439 23.237 -8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.920 22.748 -7.580 1.00 0.00 H new ATOM 590 N SER A 38 15.046 23.876 -11.899 1.00 0.00 N ATOM 591 CA SER A 38 15.647 24.489 -13.096 1.00 0.00 C ATOM 592 C SER A 38 15.429 23.671 -14.378 1.00 0.00 C ATOM 593 O SER A 38 15.477 24.232 -15.475 1.00 0.00 O ATOM 594 CB SER A 38 17.156 24.703 -12.891 1.00 0.00 C ATOM 595 OG SER A 38 17.415 25.547 -11.781 1.00 0.00 O ATOM 0 H SER A 38 15.735 23.503 -11.245 1.00 0.00 H new ATOM 0 HA SER A 38 15.138 25.444 -13.227 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.644 23.740 -12.739 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.588 25.141 -13.791 1.00 0.00 H new ATOM 0 HG SER A 38 17.152 25.090 -10.955 1.00 0.00 H new ATOM 601 N THR A 39 15.192 22.357 -14.253 1.00 0.00 N ATOM 602 CA THR A 39 15.015 21.426 -15.391 1.00 0.00 C ATOM 603 C THR A 39 13.572 20.938 -15.585 1.00 0.00 C ATOM 604 O THR A 39 13.306 20.143 -16.490 1.00 0.00 O ATOM 605 CB THR A 39 15.985 20.240 -15.294 1.00 0.00 C ATOM 606 OG1 THR A 39 15.838 19.571 -14.064 1.00 0.00 O ATOM 607 CG2 THR A 39 17.441 20.695 -15.392 1.00 0.00 C ATOM 0 H THR A 39 15.116 21.898 -13.345 1.00 0.00 H new ATOM 0 HA THR A 39 15.253 22.009 -16.281 1.00 0.00 H new ATOM 0 HB THR A 39 15.744 19.577 -16.125 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.268 20.093 -13.354 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.099 19.829 -15.319 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.603 21.194 -16.347 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.661 21.387 -14.579 1.00 0.00 H new ATOM 615 N GLY A 40 12.626 21.417 -14.767 1.00 0.00 N ATOM 616 CA GLY A 40 11.201 21.067 -14.882 1.00 0.00 C ATOM 617 C GLY A 40 10.844 19.690 -14.304 1.00 0.00 C ATOM 618 O GLY A 40 9.850 19.089 -14.707 1.00 0.00 O ATOM 0 H GLY A 40 12.827 22.062 -14.002 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.609 21.827 -14.372 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.916 21.093 -15.934 1.00 0.00 H new ATOM 622 N GLY A 41 11.657 19.182 -13.369 1.00 0.00 N ATOM 623 CA GLY A 41 11.435 17.898 -12.697 1.00 0.00 C ATOM 624 C GLY A 41 11.807 16.686 -13.554 1.00 0.00 C ATOM 625 O GLY A 41 10.961 15.829 -13.809 1.00 0.00 O ATOM 0 H GLY A 41 12.501 19.661 -13.054 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.018 17.874 -11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.385 17.823 -12.412 1.00 0.00 H new ATOM 629 N ARG A 42 13.075 16.609 -13.989 1.00 0.00 N ATOM 630 CA ARG A 42 13.612 15.482 -14.792 1.00 0.00 C ATOM 631 C ARG A 42 15.017 15.089 -14.318 1.00 0.00 C ATOM 632 O ARG A 42 15.983 15.795 -14.591 1.00 0.00 O ATOM 633 CB ARG A 42 13.558 15.888 -16.289 1.00 0.00 C ATOM 634 CG ARG A 42 12.572 15.035 -17.104 1.00 0.00 C ATOM 635 CD ARG A 42 13.113 13.633 -17.433 1.00 0.00 C ATOM 636 NE ARG A 42 12.040 12.787 -18.006 1.00 0.00 N ATOM 637 CZ ARG A 42 11.180 12.013 -17.359 1.00 0.00 C ATOM 638 NH1 ARG A 42 11.268 11.763 -16.084 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.181 11.470 -17.982 1.00 0.00 N ATOM 0 H ARG A 42 13.769 17.331 -13.795 1.00 0.00 H new ATOM 0 HA ARG A 42 13.004 14.587 -14.658 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.273 16.937 -16.366 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.554 15.796 -16.722 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.640 14.936 -16.547 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.335 15.553 -18.033 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.939 13.712 -18.140 1.00 0.00 H new ATOM 0 HD3 ARG A 42 13.509 13.168 -16.530 1.00 0.00 H new ATOM 0 HE ARG A 42 11.952 12.802 -19.022 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.025 12.170 -15.536 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.579 11.160 -15.634 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.051 11.637 -18.980 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.525 10.876 -17.474 1.00 0.00 H new ATOM 653 N VAL A 43 15.145 13.938 -13.648 1.00 0.00 N ATOM 654 CA VAL A 43 16.385 13.546 -12.925 1.00 0.00 C ATOM 655 C VAL A 43 17.613 13.472 -13.834 1.00 0.00 C ATOM 656 O VAL A 43 18.647 14.021 -13.471 1.00 0.00 O ATOM 657 CB VAL A 43 16.186 12.238 -12.121 1.00 0.00 C ATOM 658 CG1 VAL A 43 17.463 11.757 -11.416 1.00 0.00 C ATOM 659 CG2 VAL A 43 15.142 12.441 -11.016 1.00 0.00 C ATOM 0 H VAL A 43 14.399 13.245 -13.585 1.00 0.00 H new ATOM 0 HA VAL A 43 16.587 14.346 -12.213 1.00 0.00 H new ATOM 0 HB VAL A 43 15.875 11.497 -12.857 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.253 10.836 -10.871 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.240 11.571 -12.158 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.803 12.522 -10.718 1.00 0.00 H new ATOM 0 HG21 VAL A 43 15.015 11.512 -10.461 1.00 0.00 H new ATOM 0 HG22 VAL A 43 15.478 13.226 -10.338 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.191 12.730 -11.463 1.00 0.00 H new ATOM 669 N ARG A 44 17.517 12.898 -15.041 1.00 0.00 N ATOM 670 CA ARG A 44 18.680 12.792 -15.955 1.00 0.00 C ATOM 671 C ARG A 44 19.217 14.157 -16.412 1.00 0.00 C ATOM 672 O ARG A 44 20.424 14.375 -16.448 1.00 0.00 O ATOM 673 CB ARG A 44 18.370 11.822 -17.114 1.00 0.00 C ATOM 674 CG ARG A 44 17.326 12.322 -18.128 1.00 0.00 C ATOM 675 CD ARG A 44 17.011 11.223 -19.153 1.00 0.00 C ATOM 676 NE ARG A 44 16.087 11.699 -20.204 1.00 0.00 N ATOM 677 CZ ARG A 44 15.567 10.969 -21.176 1.00 0.00 C ATOM 678 NH1 ARG A 44 15.808 9.693 -21.290 1.00 0.00 N ATOM 679 NH2 ARG A 44 14.781 11.508 -22.061 1.00 0.00 N ATOM 0 H ARG A 44 16.655 12.500 -15.413 1.00 0.00 H new ATOM 0 HA ARG A 44 19.508 12.361 -15.392 1.00 0.00 H new ATOM 0 HB2 ARG A 44 19.297 11.610 -17.646 1.00 0.00 H new ATOM 0 HB3 ARG A 44 18.021 10.879 -16.693 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.414 12.615 -17.607 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.701 13.209 -18.639 1.00 0.00 H new ATOM 0 HD2 ARG A 44 17.937 10.879 -19.613 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.571 10.366 -18.643 1.00 0.00 H new ATOM 0 HE ARG A 44 15.826 12.685 -20.177 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.415 9.226 -20.616 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.389 9.161 -22.053 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.561 12.503 -22.009 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.385 10.936 -22.807 1.00 0.00 H new ATOM 693 N ILE A 45 18.313 15.109 -16.655 1.00 0.00 N ATOM 694 CA ILE A 45 18.668 16.488 -17.039 1.00 0.00 C ATOM 695 C ILE A 45 19.229 17.243 -15.826 1.00 0.00 C ATOM 696 O ILE A 45 20.197 17.982 -15.944 1.00 0.00 O ATOM 697 CB ILE A 45 17.453 17.226 -17.658 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.624 16.378 -18.658 1.00 0.00 C ATOM 699 CG2 ILE A 45 17.917 18.527 -18.342 1.00 0.00 C ATOM 700 CD1 ILE A 45 17.362 15.865 -19.901 1.00 0.00 C ATOM 0 H ILE A 45 17.307 14.950 -16.592 1.00 0.00 H new ATOM 0 HA ILE A 45 19.443 16.449 -17.805 1.00 0.00 H new ATOM 0 HB ILE A 45 16.786 17.442 -16.823 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.220 15.519 -18.123 1.00 0.00 H new ATOM 0 HG13 ILE A 45 15.774 16.975 -18.989 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.056 19.038 -18.774 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.393 19.175 -17.606 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.631 18.289 -19.131 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.675 15.287 -20.519 1.00 0.00 H new ATOM 0 HD12 ILE A 45 17.742 16.711 -20.474 1.00 0.00 H new ATOM 0 HD13 ILE A 45 18.194 15.232 -19.594 1.00 0.00 H new ATOM 712 N ALA A 46 18.674 17.005 -14.635 1.00 0.00 N ATOM 713 CA ALA A 46 19.135 17.631 -13.393 1.00 0.00 C ATOM 714 C ALA A 46 20.557 17.182 -13.016 1.00 0.00 C ATOM 715 O ALA A 46 21.412 18.020 -12.736 1.00 0.00 O ATOM 716 CB ALA A 46 18.119 17.341 -12.283 1.00 0.00 C ATOM 0 H ALA A 46 17.887 16.369 -14.504 1.00 0.00 H new ATOM 0 HA ALA A 46 19.198 18.710 -13.538 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.453 17.803 -11.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.148 17.750 -12.563 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.032 16.264 -12.142 1.00 0.00 H new ATOM 722 N ILE A 47 20.854 15.877 -13.087 1.00 0.00 N ATOM 723 CA ILE A 47 22.218 15.375 -12.837 1.00 0.00 C ATOM 724 C ILE A 47 23.180 15.803 -13.951 1.00 0.00 C ATOM 725 O ILE A 47 24.305 16.192 -13.641 1.00 0.00 O ATOM 726 CB ILE A 47 22.264 13.861 -12.532 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.938 12.977 -13.753 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.342 13.562 -11.338 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.846 11.474 -13.458 1.00 0.00 C ATOM 0 H ILE A 47 20.174 15.151 -13.314 1.00 0.00 H new ATOM 0 HA ILE A 47 22.569 15.848 -11.920 1.00 0.00 H new ATOM 0 HB ILE A 47 23.290 13.602 -12.272 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.991 13.307 -14.179 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.703 13.137 -14.513 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.369 12.495 -11.116 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.681 14.122 -10.467 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.322 13.856 -11.584 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.613 10.936 -14.377 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.799 11.122 -13.063 1.00 0.00 H new ATOM 0 HD13 ILE A 47 21.060 11.295 -12.724 1.00 0.00 H new ATOM 741 N ALA A 48 22.735 15.861 -15.213 1.00 0.00 N ATOM 742 CA ALA A 48 23.533 16.430 -16.297 1.00 0.00 C ATOM 743 C ALA A 48 23.921 17.900 -16.032 1.00 0.00 C ATOM 744 O ALA A 48 25.095 18.244 -16.146 1.00 0.00 O ATOM 745 CB ALA A 48 22.744 16.273 -17.605 1.00 0.00 C ATOM 0 H ALA A 48 21.820 15.517 -15.505 1.00 0.00 H new ATOM 0 HA ALA A 48 24.478 15.891 -16.369 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.321 16.691 -18.430 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.557 15.216 -17.792 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.794 16.801 -17.522 1.00 0.00 H new ATOM 751 N LYS A 49 22.974 18.746 -15.590 1.00 0.00 N ATOM 752 CA LYS A 49 23.235 20.164 -15.259 1.00 0.00 C ATOM 753 C LYS A 49 24.107 20.343 -14.005 1.00 0.00 C ATOM 754 O LYS A 49 24.932 21.252 -13.966 1.00 0.00 O ATOM 755 CB LYS A 49 21.899 20.916 -15.117 1.00 0.00 C ATOM 756 CG LYS A 49 21.161 21.121 -16.453 1.00 0.00 C ATOM 757 CD LYS A 49 21.840 22.149 -17.376 1.00 0.00 C ATOM 758 CE LYS A 49 21.034 22.278 -18.679 1.00 0.00 C ATOM 759 NZ LYS A 49 21.623 23.293 -19.600 1.00 0.00 N ATOM 0 H LYS A 49 22.003 18.468 -15.451 1.00 0.00 H new ATOM 0 HA LYS A 49 23.809 20.590 -16.082 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.252 20.364 -14.435 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.086 21.889 -14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.094 20.165 -16.973 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.140 21.445 -16.250 1.00 0.00 H new ATOM 0 HD2 LYS A 49 21.903 23.116 -16.877 1.00 0.00 H new ATOM 0 HD3 LYS A 49 22.861 21.837 -17.597 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.997 21.311 -19.180 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.006 22.554 -18.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.050 23.349 -20.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.635 24.221 -19.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.595 23.017 -19.845 1.00 0.00 H new ATOM 773 N LEU A 50 23.976 19.460 -13.011 1.00 0.00 N ATOM 774 CA LEU A 50 24.876 19.431 -11.843 1.00 0.00 C ATOM 775 C LEU A 50 26.322 19.062 -12.235 1.00 0.00 C ATOM 776 O LEU A 50 27.270 19.642 -11.706 1.00 0.00 O ATOM 777 CB LEU A 50 24.333 18.445 -10.788 1.00 0.00 C ATOM 778 CG LEU A 50 23.099 18.948 -10.015 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.477 17.793 -9.228 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.448 20.059 -9.021 1.00 0.00 C ATOM 0 H LEU A 50 23.248 18.746 -12.988 1.00 0.00 H new ATOM 0 HA LEU A 50 24.905 20.435 -11.420 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.078 17.508 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.127 18.223 -10.075 1.00 0.00 H new ATOM 0 HG LEU A 50 22.404 19.346 -10.754 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.605 18.153 -8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 50 22.175 17.004 -9.917 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.208 17.398 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.545 20.379 -8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.170 19.685 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.878 20.905 -9.557 1.00 0.00 H new ATOM 792 N LEU A 51 26.501 18.139 -13.190 1.00 0.00 N ATOM 793 CA LEU A 51 27.828 17.716 -13.658 1.00 0.00 C ATOM 794 C LEU A 51 28.464 18.700 -14.657 1.00 0.00 C ATOM 795 O LEU A 51 29.651 19.003 -14.530 1.00 0.00 O ATOM 796 CB LEU A 51 27.728 16.292 -14.240 1.00 0.00 C ATOM 797 CG LEU A 51 27.441 15.199 -13.191 1.00 0.00 C ATOM 798 CD1 LEU A 51 27.142 13.879 -13.896 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.623 14.968 -12.244 1.00 0.00 C ATOM 0 H LEU A 51 25.730 17.665 -13.660 1.00 0.00 H new ATOM 0 HA LEU A 51 28.501 17.712 -12.800 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.940 16.274 -14.992 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.661 16.054 -14.750 1.00 0.00 H new ATOM 0 HG LEU A 51 26.589 15.542 -12.605 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.939 13.108 -13.153 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.271 14.000 -14.540 1.00 0.00 H new ATOM 0 HD13 LEU A 51 28.002 13.586 -14.499 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.367 14.189 -11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.495 14.659 -12.820 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.849 15.892 -11.712 1.00 0.00 H new ATOM 1252 N SER A 85 10.729 10.668 -11.943 1.00 0.00 N ATOM 1253 CA SER A 85 11.222 12.014 -11.602 1.00 0.00 C ATOM 1254 C SER A 85 10.277 12.806 -10.698 1.00 0.00 C ATOM 1255 O SER A 85 10.750 13.528 -9.831 1.00 0.00 O ATOM 1256 CB SER A 85 11.522 12.821 -12.863 1.00 0.00 C ATOM 1257 OG SER A 85 12.662 12.296 -13.536 1.00 0.00 O ATOM 0 HA SER A 85 12.140 11.853 -11.036 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.659 12.800 -13.528 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.697 13.864 -12.600 1.00 0.00 H new ATOM 0 HG SER A 85 12.493 11.364 -13.787 1.00 0.00 H new ATOM 1263 N GLN A 86 8.959 12.637 -10.839 1.00 0.00 N ATOM 1264 CA GLN A 86 7.983 13.283 -9.943 1.00 0.00 C ATOM 1265 C GLN A 86 7.976 12.658 -8.536 1.00 0.00 C ATOM 1266 O GLN A 86 7.822 13.377 -7.552 1.00 0.00 O ATOM 1267 CB GLN A 86 6.584 13.286 -10.589 1.00 0.00 C ATOM 1268 CG GLN A 86 6.470 14.253 -11.787 1.00 0.00 C ATOM 1269 CD GLN A 86 6.536 15.743 -11.432 1.00 0.00 C ATOM 1270 OE1 GLN A 86 6.542 16.156 -10.281 1.00 0.00 O ATOM 1271 NE2 GLN A 86 6.591 16.612 -12.420 1.00 0.00 N ATOM 0 H GLN A 86 8.538 12.058 -11.565 1.00 0.00 H new ATOM 0 HA GLN A 86 8.291 14.319 -9.804 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.342 12.276 -10.921 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.844 13.560 -9.837 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.270 14.028 -12.492 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.528 14.060 -12.301 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.587 16.286 -13.387 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.638 17.611 -12.219 1.00 0.00 H new ATOM 1280 N GLN A 87 8.226 11.348 -8.408 1.00 0.00 N ATOM 1281 CA GLN A 87 8.341 10.680 -7.098 1.00 0.00 C ATOM 1282 C GLN A 87 9.626 11.110 -6.371 1.00 0.00 C ATOM 1283 O GLN A 87 9.579 11.517 -5.205 1.00 0.00 O ATOM 1284 CB GLN A 87 8.290 9.147 -7.271 1.00 0.00 C ATOM 1285 CG GLN A 87 7.004 8.608 -7.932 1.00 0.00 C ATOM 1286 CD GLN A 87 5.720 8.829 -7.127 1.00 0.00 C ATOM 1287 OE1 GLN A 87 5.711 9.229 -5.969 1.00 0.00 O ATOM 1288 NE2 GLN A 87 4.571 8.559 -7.711 1.00 0.00 N ATOM 0 H GLN A 87 8.354 10.722 -9.203 1.00 0.00 H new ATOM 0 HA GLN A 87 7.495 10.984 -6.482 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.146 8.835 -7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.399 8.682 -6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.889 9.081 -8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.125 7.539 -8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.555 8.225 -8.675 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.697 8.684 -7.200 1.00 0.00 H new ATOM 1297 N ILE A 88 10.760 11.111 -7.087 1.00 0.00 N ATOM 1298 CA ILE A 88 12.044 11.621 -6.573 1.00 0.00 C ATOM 1299 C ILE A 88 11.914 13.096 -6.195 1.00 0.00 C ATOM 1300 O ILE A 88 12.273 13.461 -5.081 1.00 0.00 O ATOM 1301 CB ILE A 88 13.198 11.345 -7.578 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.773 9.920 -7.408 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.382 12.314 -7.397 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.863 8.763 -7.839 1.00 0.00 C ATOM 0 H ILE A 88 10.815 10.757 -8.042 1.00 0.00 H new ATOM 0 HA ILE A 88 12.305 11.083 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 88 12.749 11.475 -8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.701 9.856 -7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.032 9.779 -6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.160 12.078 -8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.041 13.338 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.784 12.213 -6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.375 7.816 -7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.943 8.786 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.623 8.864 -8.897 1.00 0.00 H new ATOM 1316 N LEU A 89 11.328 13.931 -7.061 1.00 0.00 N ATOM 1317 CA LEU A 89 11.079 15.346 -6.754 1.00 0.00 C ATOM 1318 C LEU A 89 10.194 15.524 -5.518 1.00 0.00 C ATOM 1319 O LEU A 89 10.549 16.313 -4.653 1.00 0.00 O ATOM 1320 CB LEU A 89 10.476 16.066 -7.977 1.00 0.00 C ATOM 1321 CG LEU A 89 10.165 17.567 -7.771 1.00 0.00 C ATOM 1322 CD1 LEU A 89 11.366 18.367 -7.257 1.00 0.00 C ATOM 1323 CD2 LEU A 89 9.725 18.182 -9.098 1.00 0.00 C ATOM 0 H LEU A 89 11.014 13.648 -7.989 1.00 0.00 H new ATOM 0 HA LEU A 89 12.041 15.803 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.167 15.966 -8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.555 15.556 -8.261 1.00 0.00 H new ATOM 0 HG LEU A 89 9.378 17.618 -7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.081 19.412 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.688 17.963 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.184 18.296 -7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.506 19.240 -8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.524 18.074 -9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.831 17.672 -9.457 1.00 0.00 H new ATOM 1335 N ASN A 90 9.087 14.791 -5.379 1.00 0.00 N ATOM 1336 CA ASN A 90 8.216 14.939 -4.212 1.00 0.00 C ATOM 1337 C ASN A 90 8.942 14.556 -2.910 1.00 0.00 C ATOM 1338 O ASN A 90 8.917 15.328 -1.953 1.00 0.00 O ATOM 1339 CB ASN A 90 6.917 14.139 -4.422 1.00 0.00 C ATOM 1340 CG ASN A 90 5.848 14.466 -3.386 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.838 15.520 -2.762 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.891 13.587 -3.192 1.00 0.00 N ATOM 0 H ASN A 90 8.774 14.094 -6.055 1.00 0.00 H new ATOM 0 HA ASN A 90 7.946 15.990 -4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.526 14.345 -5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.142 13.073 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.145 13.784 -2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.894 12.708 -3.709 1.00 0.00 H new ATOM 1349 N ARG A 91 9.696 13.448 -2.884 1.00 0.00 N ATOM 1350 CA ARG A 91 10.474 13.077 -1.684 1.00 0.00 C ATOM 1351 C ARG A 91 11.651 14.021 -1.419 1.00 0.00 C ATOM 1352 O ARG A 91 11.924 14.342 -0.269 1.00 0.00 O ATOM 1353 CB ARG A 91 10.888 11.600 -1.791 1.00 0.00 C ATOM 1354 CG ARG A 91 11.589 11.041 -0.540 1.00 0.00 C ATOM 1355 CD ARG A 91 10.755 11.216 0.736 1.00 0.00 C ATOM 1356 NE ARG A 91 11.378 10.527 1.872 1.00 0.00 N ATOM 1357 CZ ARG A 91 10.907 10.449 3.100 1.00 0.00 C ATOM 1358 NH1 ARG A 91 9.826 11.072 3.480 1.00 0.00 N ATOM 1359 NH2 ARG A 91 11.549 9.723 3.965 1.00 0.00 N ATOM 0 H ARG A 91 9.786 12.799 -3.666 1.00 0.00 H new ATOM 0 HA ARG A 91 9.840 13.193 -0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.000 11.001 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.553 11.483 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.799 9.982 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.549 11.541 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.650 12.277 0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.751 10.824 0.575 1.00 0.00 H new ATOM 0 HE ARG A 91 12.267 10.060 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.309 11.648 2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.497 10.983 4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.397 9.230 3.687 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.205 9.646 4.922 1.00 0.00 H new ATOM 1373 N LEU A 92 12.304 14.535 -2.459 1.00 0.00 N ATOM 1374 CA LEU A 92 13.346 15.563 -2.334 1.00 0.00 C ATOM 1375 C LEU A 92 12.767 16.895 -1.824 1.00 0.00 C ATOM 1376 O LEU A 92 13.388 17.561 -0.999 1.00 0.00 O ATOM 1377 CB LEU A 92 14.015 15.707 -3.713 1.00 0.00 C ATOM 1378 CG LEU A 92 15.205 16.676 -3.798 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.405 16.216 -2.971 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.633 16.765 -5.262 1.00 0.00 C ATOM 0 H LEU A 92 12.126 14.250 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 92 14.089 15.267 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.354 14.722 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.258 16.032 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 92 14.884 17.638 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.214 16.940 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.116 16.136 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.742 15.243 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.478 17.447 -5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.925 15.776 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.802 17.135 -5.862 1.00 0.00 H new ATOM 1392 N ARG A 93 11.545 17.247 -2.244 1.00 0.00 N ATOM 1393 CA ARG A 93 10.806 18.430 -1.772 1.00 0.00 C ATOM 1394 C ARG A 93 10.446 18.286 -0.298 1.00 0.00 C ATOM 1395 O ARG A 93 10.661 19.232 0.446 1.00 0.00 O ATOM 1396 CB ARG A 93 9.571 18.620 -2.675 1.00 0.00 C ATOM 1397 CG ARG A 93 8.700 19.845 -2.346 1.00 0.00 C ATOM 1398 CD ARG A 93 7.322 19.734 -3.019 1.00 0.00 C ATOM 1399 NE ARG A 93 6.522 18.631 -2.437 1.00 0.00 N ATOM 1400 CZ ARG A 93 5.850 18.644 -1.298 1.00 0.00 C ATOM 1401 NH1 ARG A 93 5.687 19.723 -0.593 1.00 0.00 N ATOM 1402 NH2 ARG A 93 5.330 17.554 -0.833 1.00 0.00 N ATOM 0 H ARG A 93 11.029 16.706 -2.938 1.00 0.00 H new ATOM 0 HA ARG A 93 11.424 19.325 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.906 18.700 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.952 17.726 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.576 19.929 -1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.201 20.753 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.783 20.675 -2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.450 19.567 -4.088 1.00 0.00 H new ATOM 0 HE ARG A 93 6.485 17.765 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.085 20.606 -0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.161 19.687 0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.437 16.679 -1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.813 17.570 0.046 1.00 0.00 H new ATOM 1416 N GLU A 94 10.009 17.110 0.152 1.00 0.00 N ATOM 1417 CA GLU A 94 9.787 16.835 1.585 1.00 0.00 C ATOM 1418 C GLU A 94 11.083 17.019 2.391 1.00 0.00 C ATOM 1419 O GLU A 94 11.122 17.793 3.350 1.00 0.00 O ATOM 1420 CB GLU A 94 9.296 15.392 1.786 1.00 0.00 C ATOM 1421 CG GLU A 94 7.893 15.098 1.247 1.00 0.00 C ATOM 1422 CD GLU A 94 7.605 13.576 1.207 1.00 0.00 C ATOM 1423 OE1 GLU A 94 8.208 12.802 1.995 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.762 13.144 0.384 1.00 0.00 O ATOM 0 H GLU A 94 9.798 16.320 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 94 9.035 17.541 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.002 14.715 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.313 15.165 2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.151 15.593 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.793 15.514 0.245 1.00 0.00 H new ATOM 1431 N ARG A 95 12.165 16.353 1.954 1.00 0.00 N ATOM 1432 CA ARG A 95 13.467 16.347 2.648 1.00 0.00 C ATOM 1433 C ARG A 95 14.104 17.737 2.735 1.00 0.00 C ATOM 1434 O ARG A 95 14.661 18.092 3.776 1.00 0.00 O ATOM 1435 CB ARG A 95 14.413 15.367 1.933 1.00 0.00 C ATOM 1436 CG ARG A 95 13.998 13.893 2.128 1.00 0.00 C ATOM 1437 CD ARG A 95 14.731 12.975 1.141 1.00 0.00 C ATOM 1438 NE ARG A 95 16.180 12.960 1.398 1.00 0.00 N ATOM 1439 CZ ARG A 95 16.892 12.051 2.034 1.00 0.00 C ATOM 1440 NH1 ARG A 95 16.398 10.908 2.419 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.140 12.296 2.299 1.00 0.00 N ATOM 0 H ARG A 95 12.162 15.797 1.099 1.00 0.00 H new ATOM 0 HA ARG A 95 13.293 16.026 3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.432 15.598 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.427 15.508 2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.218 13.583 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.921 13.794 1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.335 11.963 1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.544 13.311 0.121 1.00 0.00 H new ATOM 0 HE ARG A 95 16.702 13.758 1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.421 10.686 2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.989 10.236 2.908 1.00 0.00 H new ATOM 0 HH21 ARG A 95 18.557 13.183 2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 95 18.703 11.602 2.791 1.00 0.00 H new ATOM 1455 N VAL A 96 14.000 18.537 1.667 1.00 0.00 N ATOM 1456 CA VAL A 96 14.584 19.892 1.607 1.00 0.00 C ATOM 1457 C VAL A 96 13.673 20.938 2.251 1.00 0.00 C ATOM 1458 O VAL A 96 14.146 21.704 3.088 1.00 0.00 O ATOM 1459 CB VAL A 96 14.972 20.263 0.163 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.489 21.702 0.036 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.099 19.345 -0.312 1.00 0.00 C ATOM 0 H VAL A 96 13.508 18.267 0.815 1.00 0.00 H new ATOM 0 HA VAL A 96 15.501 19.883 2.197 1.00 0.00 H new ATOM 0 HB VAL A 96 14.067 20.157 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 96 15.747 21.906 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.715 22.397 0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.374 21.827 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.375 19.606 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.965 19.465 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.762 18.309 -0.281 1.00 0.00 H new ATOM 1471 N SER A 97 12.370 20.965 1.933 1.00 0.00 N ATOM 1472 CA SER A 97 11.471 21.988 2.501 1.00 0.00 C ATOM 1473 C SER A 97 11.232 21.782 4.010 1.00 0.00 C ATOM 1474 O SER A 97 11.075 22.754 4.749 1.00 0.00 O ATOM 1475 CB SER A 97 10.138 22.090 1.747 1.00 0.00 C ATOM 1476 OG SER A 97 9.326 20.950 1.952 1.00 0.00 O ATOM 0 H SER A 97 11.919 20.306 1.299 1.00 0.00 H new ATOM 0 HA SER A 97 11.989 22.939 2.373 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.603 22.981 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.332 22.210 0.681 1.00 0.00 H new ATOM 0 HG SER A 97 9.672 20.202 1.421 1.00 0.00 H new