USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 631 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 96 GLN : amide:sc= -6.35! C(o=-5.3!,f=-9.5!) USER MOD Set 1.2: A 98 TYR OH : rot -50:sc= 1.06 USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 GLN : amide:sc= -1.01 X(o=-1,f=-0.85) USER MOD Set 3.1: A 18 CYS SG : rot 6:sc= 0.836 USER MOD Set 3.2: A 36 TYR OH : rot -75:sc= 1.04 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 42 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.042) USER MOD Single : A 44 ASN : amide:sc= -0.546 K(o=-0.55,f=-2.3) USER MOD Single : A 45 CYS SG : rot -21:sc= -0.844! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 138:sc= -2.39! (180deg=-3.96!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.962 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.114 USER MOD Single : A 88 CYS SG : rot -59:sc= -2.13 USER MOD Single : A 92 ASN : amide:sc=-0.00589 X(o=-0.0059,f=-0.1) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.28) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc=-0.00539 X(o=-0.0054,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0.087 X(o=0.087,f=-0.018) USER MOD Single : A 117 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 2.207 2.451 -5.983 1.00 0.00 N ATOM 202 CA ARG A 16 2.322 3.788 -5.426 1.00 0.00 C ATOM 203 C ARG A 16 1.092 4.622 -5.791 1.00 0.00 C ATOM 204 O ARG A 16 0.695 4.672 -6.954 1.00 0.00 O ATOM 205 CB ARG A 16 3.579 4.493 -5.939 1.00 0.00 C ATOM 206 CG ARG A 16 3.931 5.694 -5.059 1.00 0.00 C ATOM 207 CD ARG A 16 5.341 6.204 -5.367 1.00 0.00 C ATOM 208 NE ARG A 16 5.272 7.347 -6.305 1.00 0.00 N ATOM 209 CZ ARG A 16 6.296 7.758 -7.065 1.00 0.00 C ATOM 210 NH1 ARG A 16 7.475 7.123 -7.001 1.00 0.00 N ATOM 211 NH2 ARG A 16 6.143 8.804 -7.888 1.00 0.00 N ATOM 0 HA ARG A 16 2.391 3.691 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.413 3.792 -5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.422 4.823 -6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.208 6.493 -5.221 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.864 5.412 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.836 6.509 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.940 5.403 -5.800 1.00 0.00 H new ATOM 0 HE ARG A 16 4.390 7.853 -6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.592 6.327 -6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.255 7.436 -7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.246 9.288 -7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.923 9.116 -8.466 1.00 0.00 H new ATOM 225 N ILE A 17 0.525 5.257 -4.776 1.00 0.00 N ATOM 226 CA ILE A 17 -0.651 6.087 -4.976 1.00 0.00 C ATOM 227 C ILE A 17 -0.265 7.559 -4.815 1.00 0.00 C ATOM 228 O ILE A 17 0.667 7.883 -4.080 1.00 0.00 O ATOM 229 CB ILE A 17 -1.784 5.643 -4.048 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.148 6.030 -4.623 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.581 6.192 -2.634 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.248 5.109 -4.093 1.00 0.00 C ATOM 0 H ILE A 17 0.858 5.214 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.034 5.967 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.762 4.555 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.377 7.063 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.116 5.976 -5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.400 5.862 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.636 5.824 -2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.562 7.281 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.207 5.406 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.029 4.080 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.293 5.184 -3.007 1.00 0.00 H new ATOM 244 N CYS A 18 -1.001 8.410 -5.513 1.00 0.00 N ATOM 245 CA CYS A 18 -0.747 9.840 -5.457 1.00 0.00 C ATOM 246 C CYS A 18 -2.071 10.572 -5.685 1.00 0.00 C ATOM 247 O CYS A 18 -3.017 9.999 -6.224 1.00 0.00 O ATOM 248 CB CYS A 18 0.321 10.265 -6.466 1.00 0.00 C ATOM 249 SG CYS A 18 -0.338 10.132 -8.168 1.00 0.00 S ATOM 0 H CYS A 18 -1.774 8.137 -6.121 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.351 10.103 -4.476 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.633 11.290 -6.267 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.205 9.636 -6.359 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.603 9.834 -8.122 1.00 0.00 H new ATOM 255 N GLY A 19 -2.097 11.828 -5.262 1.00 0.00 N ATOM 256 CA GLY A 19 -3.289 12.644 -5.413 1.00 0.00 C ATOM 257 C GLY A 19 -3.275 13.821 -4.435 1.00 0.00 C ATOM 258 O GLY A 19 -2.583 13.780 -3.420 1.00 0.00 O ATOM 0 H GLY A 19 -1.311 12.300 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.352 13.017 -6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.176 12.034 -5.241 1.00 0.00 H new ATOM 262 N PHE A 20 -4.049 14.841 -4.776 1.00 0.00 N ATOM 263 CA PHE A 20 -4.135 16.027 -3.941 1.00 0.00 C ATOM 264 C PHE A 20 -5.120 15.816 -2.789 1.00 0.00 C ATOM 265 O PHE A 20 -6.268 15.433 -3.012 1.00 0.00 O ATOM 266 CB PHE A 20 -4.642 17.164 -4.829 1.00 0.00 C ATOM 267 CG PHE A 20 -3.547 18.127 -5.294 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.625 17.718 -6.207 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.495 19.390 -4.795 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.608 18.611 -6.638 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.479 20.283 -5.226 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.557 19.875 -6.138 1.00 0.00 C ATOM 0 H PHE A 20 -4.622 14.871 -5.619 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.159 16.251 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.131 16.737 -5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.399 17.727 -4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.666 16.714 -6.604 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.227 19.715 -4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.876 18.287 -7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.439 21.287 -4.829 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.784 20.554 -6.466 1.00 0.00 H new ATOM 282 N LEU A 21 -4.637 16.076 -1.584 1.00 0.00 N ATOM 283 CA LEU A 21 -5.461 15.920 -0.397 1.00 0.00 C ATOM 284 C LEU A 21 -5.423 17.214 0.418 1.00 0.00 C ATOM 285 O LEU A 21 -4.562 18.064 0.201 1.00 0.00 O ATOM 286 CB LEU A 21 -5.033 14.682 0.393 1.00 0.00 C ATOM 287 CG LEU A 21 -5.014 13.364 -0.383 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.371 12.249 0.445 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.419 12.987 -0.857 1.00 0.00 C ATOM 0 H LEU A 21 -3.685 16.394 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.501 15.748 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.035 14.859 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.704 14.569 1.245 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.399 13.500 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.370 11.323 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.345 12.524 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.939 12.105 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.378 12.046 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.076 12.875 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.806 13.771 -1.509 1.00 0.00 H new ATOM 301 N ASP A 22 -6.369 17.322 1.340 1.00 0.00 N ATOM 302 CA ASP A 22 -6.455 18.498 2.190 1.00 0.00 C ATOM 303 C ASP A 22 -6.200 18.092 3.643 1.00 0.00 C ATOM 304 O ASP A 22 -7.122 17.683 4.347 1.00 0.00 O ATOM 305 CB ASP A 22 -7.844 19.133 2.112 1.00 0.00 C ATOM 306 CG ASP A 22 -8.425 19.250 0.701 1.00 0.00 C ATOM 307 OD1 ASP A 22 -8.648 18.183 0.090 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.632 20.403 0.267 1.00 0.00 O ATOM 0 H ASP A 22 -7.082 16.615 1.517 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.711 19.217 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.530 18.546 2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.797 20.129 2.553 1.00 0.00 H new ATOM 313 N ILE A 23 -4.946 18.220 4.048 1.00 0.00 N ATOM 314 CA ILE A 23 -4.559 17.872 5.405 1.00 0.00 C ATOM 315 C ILE A 23 -4.882 19.040 6.339 1.00 0.00 C ATOM 316 O ILE A 23 -4.386 20.149 6.147 1.00 0.00 O ATOM 317 CB ILE A 23 -3.092 17.438 5.449 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.694 16.992 6.858 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.177 18.542 4.917 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.425 16.139 6.825 1.00 0.00 C ATOM 0 H ILE A 23 -4.184 18.560 3.461 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.133 17.014 5.756 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.971 16.576 4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.532 17.867 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.508 16.422 7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.140 18.207 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.443 18.769 3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.294 19.437 5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.164 15.835 7.839 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.598 15.253 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.607 16.720 6.399 1.00 0.00 H new ATOM 332 N GLU A 24 -5.713 18.751 7.330 1.00 0.00 N ATOM 333 CA GLU A 24 -6.109 19.763 8.294 1.00 0.00 C ATOM 334 C GLU A 24 -4.873 20.424 8.907 1.00 0.00 C ATOM 335 O GLU A 24 -4.075 19.763 9.569 1.00 0.00 O ATOM 336 CB GLU A 24 -7.006 19.165 9.379 1.00 0.00 C ATOM 337 CG GLU A 24 -7.891 20.241 10.013 1.00 0.00 C ATOM 338 CD GLU A 24 -8.495 19.747 11.330 1.00 0.00 C ATOM 339 OE1 GLU A 24 -7.716 19.212 12.147 1.00 0.00 O ATOM 340 OE2 GLU A 24 -9.724 19.917 11.489 1.00 0.00 O ATOM 0 H GLU A 24 -6.123 17.830 7.486 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.685 20.528 7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.631 18.382 8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.391 18.696 10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.303 21.141 10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.689 20.514 9.323 1.00 0.00 H new ATOM 442 N PHE A 32 -8.080 23.430 5.874 1.00 0.00 N ATOM 443 CA PHE A 32 -7.260 22.331 5.392 1.00 0.00 C ATOM 444 C PHE A 32 -6.452 22.749 4.162 1.00 0.00 C ATOM 445 O PHE A 32 -7.020 23.158 3.150 1.00 0.00 O ATOM 446 CB PHE A 32 -8.213 21.200 5.001 1.00 0.00 C ATOM 447 CG PHE A 32 -9.187 20.796 6.110 1.00 0.00 C ATOM 448 CD1 PHE A 32 -10.210 21.624 6.451 1.00 0.00 C ATOM 449 CD2 PHE A 32 -9.029 19.608 6.753 1.00 0.00 C ATOM 450 CE1 PHE A 32 -11.114 21.249 7.480 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.933 19.233 7.782 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.956 20.061 8.124 1.00 0.00 C ATOM 0 HA PHE A 32 -6.558 22.022 6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.784 21.506 4.124 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.626 20.328 4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.335 22.567 5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.217 18.950 6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.927 21.907 7.751 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.808 18.290 8.293 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.643 19.776 8.907 1.00 0.00 H new ATOM 462 N LEU A 33 -5.138 22.632 4.289 1.00 0.00 N ATOM 463 CA LEU A 33 -4.246 22.993 3.200 1.00 0.00 C ATOM 464 C LEU A 33 -4.196 21.848 2.186 1.00 0.00 C ATOM 465 O LEU A 33 -4.333 20.682 2.555 1.00 0.00 O ATOM 466 CB LEU A 33 -2.873 23.394 3.743 1.00 0.00 C ATOM 467 CG LEU A 33 -2.843 24.629 4.646 1.00 0.00 C ATOM 468 CD1 LEU A 33 -1.525 25.390 4.489 1.00 0.00 C ATOM 469 CD2 LEU A 33 -4.057 25.524 4.390 1.00 0.00 C ATOM 0 H LEU A 33 -4.670 22.292 5.129 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.623 23.869 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.464 22.551 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.207 23.570 2.898 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.901 24.297 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.529 26.263 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.694 24.739 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.411 25.711 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.012 26.395 5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.055 25.851 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.970 24.965 4.593 1.00 0.00 H new ATOM 481 N ARG A 34 -4.000 22.220 0.930 1.00 0.00 N ATOM 482 CA ARG A 34 -3.931 21.239 -0.139 1.00 0.00 C ATOM 483 C ARG A 34 -2.478 21.019 -0.565 1.00 0.00 C ATOM 484 O ARG A 34 -1.684 21.959 -0.584 1.00 0.00 O ATOM 485 CB ARG A 34 -4.748 21.687 -1.352 1.00 0.00 C ATOM 486 CG ARG A 34 -6.074 22.314 -0.918 1.00 0.00 C ATOM 487 CD ARG A 34 -5.962 23.838 -0.844 1.00 0.00 C ATOM 488 NE ARG A 34 -6.789 24.353 0.269 1.00 0.00 N ATOM 489 CZ ARG A 34 -6.791 25.630 0.676 1.00 0.00 C ATOM 490 NH1 ARG A 34 -6.009 26.529 0.063 1.00 0.00 N ATOM 491 NH2 ARG A 34 -7.574 26.008 1.696 1.00 0.00 N ATOM 0 H ARG A 34 -3.887 23.188 0.629 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.347 20.306 0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.175 22.407 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.941 20.833 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.859 22.037 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.365 21.920 0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.921 24.128 -0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.288 24.281 -1.785 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.396 23.695 0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.413 26.241 -0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.010 27.501 0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.169 25.324 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.575 26.980 2.005 1.00 0.00 H new ATOM 505 N ARG A 35 -2.173 19.773 -0.895 1.00 0.00 N ATOM 506 CA ARG A 35 -0.829 19.418 -1.319 1.00 0.00 C ATOM 507 C ARG A 35 -0.838 18.066 -2.035 1.00 0.00 C ATOM 508 O ARG A 35 -1.785 17.293 -1.897 1.00 0.00 O ATOM 509 CB ARG A 35 0.125 19.348 -0.124 1.00 0.00 C ATOM 510 CG ARG A 35 1.399 20.151 -0.393 1.00 0.00 C ATOM 511 CD ARG A 35 1.218 21.617 0.009 1.00 0.00 C ATOM 512 NE ARG A 35 0.956 21.714 1.462 1.00 0.00 N ATOM 513 CZ ARG A 35 0.213 22.675 2.028 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.347 23.625 1.268 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.029 22.684 3.356 1.00 0.00 N ATOM 0 H ARG A 35 -2.834 18.996 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.481 20.193 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.372 19.734 0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.382 18.309 0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.231 19.718 0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.656 20.089 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.112 22.186 -0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.391 22.056 -0.548 1.00 0.00 H new ATOM 0 HE ARG A 35 1.366 21.006 2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.208 23.617 0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.912 24.356 1.700 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.454 21.960 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.536 23.415 3.788 1.00 0.00 H new ATOM 529 N TYR A 36 0.227 17.823 -2.785 1.00 0.00 N ATOM 530 CA TYR A 36 0.353 16.578 -3.524 1.00 0.00 C ATOM 531 C TYR A 36 0.988 15.488 -2.657 1.00 0.00 C ATOM 532 O TYR A 36 2.170 15.564 -2.325 1.00 0.00 O ATOM 533 CB TYR A 36 1.280 16.879 -4.703 1.00 0.00 C ATOM 534 CG TYR A 36 1.276 15.802 -5.789 1.00 0.00 C ATOM 535 CD1 TYR A 36 0.150 15.608 -6.564 1.00 0.00 C ATOM 536 CD2 TYR A 36 2.397 15.024 -5.994 1.00 0.00 C ATOM 537 CE1 TYR A 36 0.146 14.594 -7.587 1.00 0.00 C ATOM 538 CE2 TYR A 36 2.393 14.010 -7.017 1.00 0.00 C ATOM 539 CZ TYR A 36 1.268 13.845 -7.763 1.00 0.00 C ATOM 540 OH TYR A 36 1.264 12.888 -8.728 1.00 0.00 O ATOM 0 H TYR A 36 1.010 18.467 -2.897 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.626 16.220 -3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.988 17.830 -5.148 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.297 17.001 -4.330 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.728 16.216 -6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.278 15.175 -5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.728 14.432 -8.200 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.264 13.395 -7.188 1.00 0.00 H new ATOM 0 HH TYR A 36 0.731 12.122 -8.427 1.00 0.00 H new ATOM 550 N PHE A 37 0.174 14.500 -2.314 1.00 0.00 N ATOM 551 CA PHE A 37 0.641 13.397 -1.493 1.00 0.00 C ATOM 552 C PHE A 37 1.063 12.208 -2.359 1.00 0.00 C ATOM 553 O PHE A 37 0.540 12.019 -3.456 1.00 0.00 O ATOM 554 CB PHE A 37 -0.530 12.974 -0.604 1.00 0.00 C ATOM 555 CG PHE A 37 -1.001 14.062 0.364 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.662 15.153 -0.108 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.758 13.938 1.697 1.00 0.00 C ATOM 558 CE1 PHE A 37 -2.099 16.162 0.791 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.194 14.947 2.595 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.855 16.038 2.123 1.00 0.00 C ATOM 0 H PHE A 37 -0.806 14.441 -2.590 1.00 0.00 H new ATOM 0 HA PHE A 37 1.505 13.710 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.366 12.679 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.239 12.094 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.855 15.252 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.233 13.072 2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.625 17.028 0.417 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.001 14.848 3.653 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.186 16.806 2.806 1.00 0.00 H new ATOM 570 N ILE A 38 2.005 11.439 -1.834 1.00 0.00 N ATOM 571 CA ILE A 38 2.503 10.274 -2.545 1.00 0.00 C ATOM 572 C ILE A 38 2.838 9.172 -1.539 1.00 0.00 C ATOM 573 O ILE A 38 3.817 9.275 -0.801 1.00 0.00 O ATOM 574 CB ILE A 38 3.677 10.659 -3.448 1.00 0.00 C ATOM 575 CG1 ILE A 38 3.182 11.293 -4.750 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.588 9.458 -3.705 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.343 11.903 -5.538 1.00 0.00 C ATOM 0 H ILE A 38 2.437 11.600 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 38 1.736 9.877 -3.210 1.00 0.00 H new ATOM 0 HB ILE A 38 4.274 11.410 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.681 10.540 -5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.445 12.064 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.414 9.759 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.982 9.091 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.018 8.667 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.964 12.347 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.827 12.673 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.066 11.125 -5.781 1.00 0.00 H new ATOM 589 N LEU A 39 2.005 8.141 -1.540 1.00 0.00 N ATOM 590 CA LEU A 39 2.200 7.020 -0.636 1.00 0.00 C ATOM 591 C LEU A 39 3.380 6.176 -1.124 1.00 0.00 C ATOM 592 O LEU A 39 3.206 5.278 -1.947 1.00 0.00 O ATOM 593 CB LEU A 39 0.901 6.228 -0.477 1.00 0.00 C ATOM 594 CG LEU A 39 0.820 5.312 0.746 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.856 6.124 2.042 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.411 4.406 0.671 1.00 0.00 C ATOM 0 H LEU A 39 1.194 8.059 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 39 2.454 7.375 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.071 6.934 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.757 5.621 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 39 1.697 4.665 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.797 5.449 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.786 6.690 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.011 6.812 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.445 3.765 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.312 5.019 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.354 3.788 -0.225 1.00 0.00 H new ATOM 608 N ASP A 40 4.552 6.494 -0.597 1.00 0.00 N ATOM 609 CA ASP A 40 5.760 5.777 -0.968 1.00 0.00 C ATOM 610 C ASP A 40 5.948 4.583 -0.030 1.00 0.00 C ATOM 611 O ASP A 40 6.145 4.759 1.172 1.00 0.00 O ATOM 612 CB ASP A 40 6.993 6.673 -0.845 1.00 0.00 C ATOM 613 CG ASP A 40 6.713 8.175 -0.934 1.00 0.00 C ATOM 614 OD1 ASP A 40 6.155 8.707 0.049 1.00 0.00 O ATOM 615 OD2 ASP A 40 7.063 8.756 -1.984 1.00 0.00 O ATOM 0 H ASP A 40 4.692 7.240 0.085 1.00 0.00 H new ATOM 0 HA ASP A 40 5.653 5.451 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.481 6.465 0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.699 6.403 -1.630 1.00 0.00 H new ATOM 620 N THR A 41 5.880 3.396 -0.613 1.00 0.00 N ATOM 621 CA THR A 41 6.040 2.173 0.156 1.00 0.00 C ATOM 622 C THR A 41 7.523 1.892 0.407 1.00 0.00 C ATOM 623 O THR A 41 7.897 1.435 1.486 1.00 0.00 O ATOM 624 CB THR A 41 5.326 1.046 -0.593 1.00 0.00 C ATOM 625 OG1 THR A 41 6.269 0.633 -1.579 1.00 0.00 O ATOM 626 CG2 THR A 41 4.133 1.549 -1.408 1.00 0.00 C ATOM 0 H THR A 41 5.716 3.254 -1.610 1.00 0.00 H new ATOM 0 HA THR A 41 5.587 2.264 1.143 1.00 0.00 H new ATOM 0 HB THR A 41 4.988 0.294 0.120 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.888 -0.097 -2.110 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.662 0.710 -1.920 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.410 2.020 -0.742 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.476 2.276 -2.144 1.00 0.00 H new ATOM 634 N GLN A 42 8.327 2.177 -0.607 1.00 0.00 N ATOM 635 CA GLN A 42 9.760 1.960 -0.509 1.00 0.00 C ATOM 636 C GLN A 42 10.353 2.825 0.606 1.00 0.00 C ATOM 637 O GLN A 42 11.225 2.375 1.348 1.00 0.00 O ATOM 638 CB GLN A 42 10.449 2.241 -1.846 1.00 0.00 C ATOM 639 CG GLN A 42 9.861 1.372 -2.959 1.00 0.00 C ATOM 640 CD GLN A 42 10.929 1.009 -3.993 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.909 0.342 -3.703 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.686 1.483 -5.212 1.00 0.00 N ATOM 0 H GLN A 42 8.013 2.556 -1.500 1.00 0.00 H new ATOM 0 HA GLN A 42 9.933 0.913 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.335 3.294 -2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.518 2.048 -1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.440 0.462 -2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.043 1.903 -3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.846 2.035 -5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.340 1.295 -5.972 1.00 0.00 H new ATOM 651 N ALA A 43 9.856 4.050 0.688 1.00 0.00 N ATOM 652 CA ALA A 43 10.326 4.981 1.700 1.00 0.00 C ATOM 653 C ALA A 43 9.697 4.623 3.048 1.00 0.00 C ATOM 654 O ALA A 43 10.273 4.898 4.099 1.00 0.00 O ATOM 655 CB ALA A 43 10.001 6.412 1.267 1.00 0.00 C ATOM 0 H ALA A 43 9.133 4.420 0.071 1.00 0.00 H new ATOM 0 HA ALA A 43 11.408 4.912 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.353 7.111 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.495 6.626 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.923 6.520 1.147 1.00 0.00 H new ATOM 661 N ASN A 44 8.522 4.014 2.974 1.00 0.00 N ATOM 662 CA ASN A 44 7.808 3.616 4.175 1.00 0.00 C ATOM 663 C ASN A 44 7.401 4.865 4.959 1.00 0.00 C ATOM 664 O ASN A 44 7.265 4.818 6.181 1.00 0.00 O ATOM 665 CB ASN A 44 8.692 2.756 5.081 1.00 0.00 C ATOM 666 CG ASN A 44 7.846 1.959 6.076 1.00 0.00 C ATOM 667 OD1 ASN A 44 6.783 1.452 5.760 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.377 1.877 7.293 1.00 0.00 N ATOM 0 H ASN A 44 8.047 3.787 2.100 1.00 0.00 H new ATOM 0 HA ASN A 44 6.933 3.040 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.285 2.073 4.474 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.393 3.392 5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.889 1.366 8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.272 2.325 7.490 1.00 0.00 H new ATOM 675 N CYS A 45 7.217 5.952 4.224 1.00 0.00 N ATOM 676 CA CYS A 45 6.828 7.211 4.836 1.00 0.00 C ATOM 677 C CYS A 45 6.002 8.003 3.820 1.00 0.00 C ATOM 678 O CYS A 45 6.240 7.915 2.617 1.00 0.00 O ATOM 679 CB CYS A 45 8.043 8.003 5.324 1.00 0.00 C ATOM 680 SG CYS A 45 9.138 6.920 6.314 1.00 0.00 S ATOM 0 H CYS A 45 7.330 5.987 3.211 1.00 0.00 H new ATOM 0 HA CYS A 45 6.224 7.016 5.722 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.590 8.407 4.472 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.717 8.852 5.925 1.00 0.00 H new ATOM 0 HG CYS A 45 8.461 5.899 6.749 1.00 0.00 H new ATOM 686 N LEU A 46 5.048 8.760 4.342 1.00 0.00 N ATOM 687 CA LEU A 46 4.185 9.567 3.496 1.00 0.00 C ATOM 688 C LEU A 46 4.864 10.909 3.216 1.00 0.00 C ATOM 689 O LEU A 46 5.211 11.639 4.143 1.00 0.00 O ATOM 690 CB LEU A 46 2.795 9.700 4.120 1.00 0.00 C ATOM 691 CG LEU A 46 1.706 10.278 3.215 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.259 11.408 2.345 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.049 9.179 2.377 1.00 0.00 C ATOM 0 H LEU A 46 4.854 8.832 5.341 1.00 0.00 H new ATOM 0 HA LEU A 46 4.031 9.079 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.474 8.714 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.875 10.330 5.006 1.00 0.00 H new ATOM 0 HG LEU A 46 0.930 10.709 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.464 11.801 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.642 12.204 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.065 11.025 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.278 9.617 1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.802 8.698 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.598 8.439 3.037 1.00 0.00 H new ATOM 705 N LEU A 47 5.033 11.194 1.933 1.00 0.00 N ATOM 706 CA LEU A 47 5.664 12.435 1.519 1.00 0.00 C ATOM 707 C LEU A 47 4.726 13.190 0.576 1.00 0.00 C ATOM 708 O LEU A 47 4.305 12.652 -0.448 1.00 0.00 O ATOM 709 CB LEU A 47 7.046 12.161 0.922 1.00 0.00 C ATOM 710 CG LEU A 47 7.967 11.260 1.748 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.879 10.431 0.842 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.761 12.077 2.769 1.00 0.00 C ATOM 0 H LEU A 47 4.744 10.586 1.167 1.00 0.00 H new ATOM 0 HA LEU A 47 5.837 13.080 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.912 11.707 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.549 13.116 0.766 1.00 0.00 H new ATOM 0 HG LEU A 47 7.348 10.560 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.523 9.800 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.271 9.805 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.493 11.097 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.408 11.413 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.370 12.816 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.072 12.585 3.444 1.00 0.00 H new ATOM 724 N TRP A 48 4.425 14.424 0.953 1.00 0.00 N ATOM 725 CA TRP A 48 3.544 15.257 0.153 1.00 0.00 C ATOM 726 C TRP A 48 4.288 16.553 -0.175 1.00 0.00 C ATOM 727 O TRP A 48 4.944 17.132 0.689 1.00 0.00 O ATOM 728 CB TRP A 48 2.214 15.497 0.872 1.00 0.00 C ATOM 729 CG TRP A 48 2.334 16.361 2.129 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.500 17.688 2.206 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.288 15.900 3.496 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.565 18.115 3.516 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.432 16.993 4.326 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.129 14.603 4.014 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.432 16.901 5.723 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.132 14.527 5.412 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.276 15.618 6.262 1.00 0.00 C ATOM 0 H TRP A 48 4.776 14.867 1.802 1.00 0.00 H new ATOM 0 HA TRP A 48 3.284 14.758 -0.781 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.520 15.974 0.180 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.781 14.535 1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.574 18.342 1.350 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.688 19.077 3.832 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.014 13.734 3.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.546 17.772 6.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.014 13.552 5.862 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.268 15.477 7.333 1.00 0.00 H new ATOM 748 N TYR A 49 4.161 16.970 -1.426 1.00 0.00 N ATOM 749 CA TYR A 49 4.813 18.187 -1.879 1.00 0.00 C ATOM 750 C TYR A 49 3.792 19.185 -2.429 1.00 0.00 C ATOM 751 O TYR A 49 2.705 18.796 -2.853 1.00 0.00 O ATOM 752 CB TYR A 49 5.755 17.765 -3.009 1.00 0.00 C ATOM 753 CG TYR A 49 6.505 16.459 -2.739 1.00 0.00 C ATOM 754 CD1 TYR A 49 5.926 15.250 -3.066 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.761 16.490 -2.167 1.00 0.00 C ATOM 756 CE1 TYR A 49 6.633 14.021 -2.811 1.00 0.00 C ATOM 757 CE2 TYR A 49 8.467 15.262 -1.913 1.00 0.00 C ATOM 758 CZ TYR A 49 7.868 14.087 -2.247 1.00 0.00 C ATOM 759 OH TYR A 49 8.535 12.927 -2.007 1.00 0.00 O ATOM 0 H TYR A 49 3.616 16.487 -2.140 1.00 0.00 H new ATOM 0 HA TYR A 49 5.338 18.670 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.178 17.658 -3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.481 18.560 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.943 15.225 -3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.214 17.436 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.191 13.068 -3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.451 15.273 -1.467 1.00 0.00 H new ATOM 0 HH TYR A 49 9.405 13.127 -1.603 1.00 0.00 H new ATOM 769 N MET A 50 4.178 20.452 -2.404 1.00 0.00 N ATOM 770 CA MET A 50 3.310 21.508 -2.895 1.00 0.00 C ATOM 771 C MET A 50 2.616 21.089 -4.193 1.00 0.00 C ATOM 772 O MET A 50 1.409 21.275 -4.344 1.00 0.00 O ATOM 773 CB MET A 50 4.134 22.774 -3.142 1.00 0.00 C ATOM 774 CG MET A 50 4.554 23.421 -1.821 1.00 0.00 C ATOM 775 SD MET A 50 3.726 24.990 -1.619 1.00 0.00 S ATOM 776 CE MET A 50 2.910 24.711 -0.056 1.00 0.00 C ATOM 0 H MET A 50 5.080 20.771 -2.051 1.00 0.00 H new ATOM 0 HA MET A 50 2.546 21.703 -2.143 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.019 22.527 -3.728 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.551 23.483 -3.729 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.308 22.761 -0.989 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.634 23.566 -1.805 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.995 25.604 0.563 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.857 24.489 -0.230 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.379 23.870 0.454 1.00 0.00 H new ATOM 786 N ASP A 51 3.408 20.532 -5.096 1.00 0.00 N ATOM 787 CA ASP A 51 2.885 20.085 -6.376 1.00 0.00 C ATOM 788 C ASP A 51 3.614 18.809 -6.803 1.00 0.00 C ATOM 789 O ASP A 51 4.569 18.389 -6.152 1.00 0.00 O ATOM 790 CB ASP A 51 3.107 21.141 -7.461 1.00 0.00 C ATOM 791 CG ASP A 51 1.856 21.921 -7.870 1.00 0.00 C ATOM 792 OD1 ASP A 51 1.388 22.723 -7.033 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.395 21.698 -9.010 1.00 0.00 O ATOM 0 H ASP A 51 4.408 20.380 -4.967 1.00 0.00 H new ATOM 0 HA ASP A 51 1.816 19.906 -6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.859 21.848 -7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.517 20.652 -8.345 1.00 0.00 H new ATOM 936 N VAL A 63 7.265 19.310 1.549 1.00 0.00 N ATOM 937 CA VAL A 63 6.599 20.314 2.361 1.00 0.00 C ATOM 938 C VAL A 63 6.120 19.673 3.665 1.00 0.00 C ATOM 939 O VAL A 63 5.825 20.372 4.633 1.00 0.00 O ATOM 940 CB VAL A 63 5.467 20.965 1.564 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.331 19.971 1.313 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.952 22.221 2.269 1.00 0.00 C ATOM 0 HA VAL A 63 7.292 21.112 2.626 1.00 0.00 H new ATOM 0 HB VAL A 63 5.868 21.266 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.539 20.459 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.711 19.119 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.933 19.625 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.148 22.664 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.576 21.955 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.765 22.940 2.372 1.00 0.00 H new ATOM 952 N GLY A 64 6.057 18.350 3.649 1.00 0.00 N ATOM 953 CA GLY A 64 5.619 17.607 4.818 1.00 0.00 C ATOM 954 C GLY A 64 5.830 16.104 4.624 1.00 0.00 C ATOM 955 O GLY A 64 5.838 15.615 3.495 1.00 0.00 O ATOM 0 H GLY A 64 6.302 17.773 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.170 17.945 5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.565 17.808 5.007 1.00 0.00 H new ATOM 959 N SER A 65 5.996 15.413 5.742 1.00 0.00 N ATOM 960 CA SER A 65 6.207 13.975 5.709 1.00 0.00 C ATOM 961 C SER A 65 5.420 13.305 6.836 1.00 0.00 C ATOM 962 O SER A 65 4.993 13.968 7.780 1.00 0.00 O ATOM 963 CB SER A 65 7.694 13.634 5.824 1.00 0.00 C ATOM 964 OG SER A 65 8.251 14.082 7.056 1.00 0.00 O ATOM 0 H SER A 65 5.989 15.822 6.677 1.00 0.00 H new ATOM 0 HA SER A 65 5.849 13.598 4.751 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.826 12.556 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.235 14.089 4.995 1.00 0.00 H new ATOM 0 HG SER A 65 9.201 13.844 7.091 1.00 0.00 H new ATOM 970 N LEU A 66 5.251 11.998 6.701 1.00 0.00 N ATOM 971 CA LEU A 66 4.523 11.230 7.697 1.00 0.00 C ATOM 972 C LEU A 66 5.062 9.799 7.726 1.00 0.00 C ATOM 973 O LEU A 66 4.608 8.945 6.967 1.00 0.00 O ATOM 974 CB LEU A 66 3.017 11.314 7.442 1.00 0.00 C ATOM 975 CG LEU A 66 2.188 11.992 8.535 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.710 12.051 8.145 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.398 11.307 9.886 1.00 0.00 C ATOM 0 H LEU A 66 5.606 11.451 5.917 1.00 0.00 H new ATOM 0 HA LEU A 66 4.679 11.650 8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.856 11.850 6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.636 10.303 7.299 1.00 0.00 H new ATOM 0 HG LEU A 66 2.534 13.020 8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.143 12.537 8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.600 12.618 7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.332 11.039 7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.798 11.808 10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.095 10.262 9.815 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.451 11.362 10.162 1.00 0.00 H new ATOM 989 N GLN A 67 6.024 9.581 8.611 1.00 0.00 N ATOM 990 CA GLN A 67 6.631 8.268 8.749 1.00 0.00 C ATOM 991 C GLN A 67 5.561 7.220 9.062 1.00 0.00 C ATOM 992 O GLN A 67 4.812 7.361 10.027 1.00 0.00 O ATOM 993 CB GLN A 67 7.720 8.277 9.824 1.00 0.00 C ATOM 994 CG GLN A 67 8.866 9.213 9.435 1.00 0.00 C ATOM 995 CD GLN A 67 8.620 10.629 9.959 1.00 0.00 C ATOM 996 OE1 GLN A 67 8.495 10.865 11.149 1.00 0.00 O ATOM 997 NE2 GLN A 67 8.557 11.555 9.006 1.00 0.00 N ATOM 0 H GLN A 67 6.398 10.292 9.240 1.00 0.00 H new ATOM 0 HA GLN A 67 7.104 8.006 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.294 8.594 10.776 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.103 7.267 9.967 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.805 8.831 9.837 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.969 9.236 8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.670 11.289 8.028 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.395 12.531 9.253 1.00 0.00 H new ATOM 1006 N LEU A 68 5.524 6.191 8.227 1.00 0.00 N ATOM 1007 CA LEU A 68 4.558 5.120 8.403 1.00 0.00 C ATOM 1008 C LEU A 68 4.738 4.499 9.790 1.00 0.00 C ATOM 1009 O LEU A 68 3.839 3.829 10.295 1.00 0.00 O ATOM 1010 CB LEU A 68 4.665 4.110 7.258 1.00 0.00 C ATOM 1011 CG LEU A 68 4.324 4.637 5.864 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.268 3.498 4.844 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.027 5.449 5.887 1.00 0.00 C ATOM 0 H LEU A 68 6.147 6.077 7.428 1.00 0.00 H new ATOM 0 HA LEU A 68 3.542 5.512 8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.683 3.720 7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.006 3.270 7.478 1.00 0.00 H new ATOM 0 HG LEU A 68 5.121 5.311 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.024 3.901 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.237 3.000 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.504 2.780 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.807 5.812 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.208 4.817 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.140 6.297 6.563 1.00 0.00 H new ATOM 1025 N THR A 69 5.906 4.744 10.366 1.00 0.00 N ATOM 1026 CA THR A 69 6.214 4.218 11.684 1.00 0.00 C ATOM 1027 C THR A 69 5.200 4.725 12.712 1.00 0.00 C ATOM 1028 O THR A 69 5.050 4.137 13.782 1.00 0.00 O ATOM 1029 CB THR A 69 7.659 4.597 12.018 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.707 6.005 11.804 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.660 4.032 11.009 1.00 0.00 C ATOM 0 H THR A 69 6.650 5.300 9.944 1.00 0.00 H new ATOM 0 HA THR A 69 6.134 3.131 11.704 1.00 0.00 H new ATOM 0 HB THR A 69 7.907 4.237 13.016 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.609 6.335 11.999 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.670 4.330 11.292 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.592 2.944 10.999 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.433 4.419 10.016 1.00 0.00 H new ATOM 1039 N TYR A 70 4.531 5.810 12.350 1.00 0.00 N ATOM 1040 CA TYR A 70 3.536 6.402 13.228 1.00 0.00 C ATOM 1041 C TYR A 70 2.142 5.845 12.930 1.00 0.00 C ATOM 1042 O TYR A 70 1.468 5.339 13.826 1.00 0.00 O ATOM 1043 CB TYR A 70 3.547 7.902 12.926 1.00 0.00 C ATOM 1044 CG TYR A 70 4.696 8.662 13.593 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.991 8.200 13.471 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.438 9.809 14.315 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.072 8.915 14.098 1.00 0.00 C ATOM 1048 CE2 TYR A 70 5.519 10.524 14.942 1.00 0.00 C ATOM 1049 CZ TYR A 70 6.783 10.041 14.803 1.00 0.00 C ATOM 1050 OH TYR A 70 7.804 10.717 15.395 1.00 0.00 O ATOM 0 H TYR A 70 4.658 6.294 11.461 1.00 0.00 H new ATOM 0 HA TYR A 70 3.765 6.183 14.271 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.608 8.045 11.847 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.601 8.335 13.252 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.193 7.302 12.905 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.425 10.171 14.410 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.090 8.565 14.010 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.331 11.423 15.510 1.00 0.00 H new ATOM 0 HH TYR A 70 7.449 11.501 15.863 1.00 0.00 H new ATOM 1060 N ILE A 71 1.752 5.957 11.669 1.00 0.00 N ATOM 1061 CA ILE A 71 0.451 5.470 11.243 1.00 0.00 C ATOM 1062 C ILE A 71 0.239 4.053 11.780 1.00 0.00 C ATOM 1063 O ILE A 71 1.150 3.228 11.738 1.00 0.00 O ATOM 1064 CB ILE A 71 0.309 5.580 9.723 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.402 7.037 9.267 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -0.979 4.909 9.243 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.718 7.299 8.532 1.00 0.00 C ATOM 0 H ILE A 71 2.314 6.378 10.929 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.342 6.090 11.660 1.00 0.00 H new ATOM 0 HB ILE A 71 1.140 5.046 9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.437 7.271 8.612 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.326 7.698 10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.056 5.001 8.160 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.964 3.854 9.517 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.837 5.393 9.710 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.758 8.342 8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.555 7.087 9.198 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.780 6.654 7.655 1.00 0.00 H new ATOM 1079 N SER A 72 -0.968 3.815 12.272 1.00 0.00 N ATOM 1080 CA SER A 72 -1.310 2.512 12.816 1.00 0.00 C ATOM 1081 C SER A 72 -2.540 1.952 12.099 1.00 0.00 C ATOM 1082 O SER A 72 -2.594 0.764 11.787 1.00 0.00 O ATOM 1083 CB SER A 72 -1.565 2.594 14.322 1.00 0.00 C ATOM 1084 OG SER A 72 -1.724 1.305 14.908 1.00 0.00 O ATOM 0 H SER A 72 -1.721 4.502 12.305 1.00 0.00 H new ATOM 0 HA SER A 72 -0.466 1.841 12.654 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.734 3.111 14.803 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.460 3.189 14.506 1.00 0.00 H new ATOM 0 HG SER A 72 -1.883 1.401 15.870 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.498 2.835 11.859 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.725 2.444 11.185 1.00 0.00 C ATOM 1092 C LYS A 73 -5.295 3.649 10.433 1.00 0.00 C ATOM 1093 O LYS A 73 -5.134 4.788 10.866 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.706 1.819 12.178 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.135 1.855 11.634 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.952 0.673 12.157 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.602 1.007 13.502 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.108 0.095 14.557 1.00 0.00 N ATOM 0 H LYS A 73 -3.450 3.820 12.119 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.523 1.671 10.443 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.416 0.788 12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.660 2.355 13.126 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.615 2.790 11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.114 1.833 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.722 0.410 11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.307 -0.199 12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.381 2.039 13.773 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.686 0.924 13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.559 0.335 15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.341 -0.887 14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.077 0.194 14.647 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.949 3.355 9.319 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.543 4.399 8.502 1.00 0.00 C ATOM 1114 C VAL A 74 -8.017 4.069 8.253 1.00 0.00 C ATOM 1115 O VAL A 74 -8.339 3.287 7.360 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.743 4.573 7.210 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.260 5.764 6.401 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.249 4.718 7.506 1.00 0.00 C ATOM 0 H VAL A 74 -6.081 2.408 8.963 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.507 5.357 9.021 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.880 3.675 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.674 5.865 5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.307 5.603 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.168 6.674 6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.703 4.840 6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.086 5.591 8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.892 3.826 8.021 1.00 0.00 H new ATOM 1128 N SER A 75 -8.872 4.682 9.059 1.00 0.00 N ATOM 1129 CA SER A 75 -10.303 4.464 8.937 1.00 0.00 C ATOM 1130 C SER A 75 -10.995 5.757 8.503 1.00 0.00 C ATOM 1131 O SER A 75 -10.437 6.844 8.651 1.00 0.00 O ATOM 1132 CB SER A 75 -10.897 3.959 10.253 1.00 0.00 C ATOM 1133 OG SER A 75 -12.317 3.850 10.191 1.00 0.00 O ATOM 0 H SER A 75 -8.601 5.330 9.799 1.00 0.00 H new ATOM 0 HA SER A 75 -10.469 3.699 8.178 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.469 2.986 10.494 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.620 4.638 11.060 1.00 0.00 H new ATOM 0 HG SER A 75 -12.658 3.523 11.050 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.200 5.598 7.977 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.974 6.740 7.521 1.00 0.00 C ATOM 1141 C ILE A 76 -13.475 7.529 8.733 1.00 0.00 C ATOM 1142 O ILE A 76 -14.016 6.950 9.674 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.091 6.289 6.578 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.558 5.320 5.520 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.798 7.491 5.949 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.346 5.912 4.797 1.00 0.00 C ATOM 0 H ILE A 76 -12.660 4.696 7.856 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.348 7.415 6.937 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.835 5.749 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.280 4.377 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.343 5.096 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.587 7.142 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.233 8.109 6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.078 8.080 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.986 5.204 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.633 6.842 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.554 6.112 5.519 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.275 8.837 8.671 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.699 9.711 9.752 1.00 0.00 C ATOM 1160 C ALA A 77 -15.222 9.653 9.881 1.00 0.00 C ATOM 1161 O ALA A 77 -15.938 9.780 8.889 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.190 11.130 9.491 1.00 0.00 C ATOM 0 H ALA A 77 -12.825 9.313 7.889 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.275 9.382 10.701 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.508 11.785 10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.101 11.122 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.597 11.495 8.548 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.149 12.219 1.787 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.961 11.423 1.528 1.00 0.00 C ATOM 1323 C PHE A 87 -13.769 11.938 2.336 1.00 0.00 C ATOM 1324 O PHE A 87 -12.859 12.554 1.783 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.648 11.560 0.036 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.886 11.734 -0.846 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.769 10.709 -0.988 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.103 12.913 -1.488 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.918 10.871 -1.807 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.252 13.074 -2.307 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.135 12.050 -2.449 1.00 0.00 C ATOM 0 HA PHE A 87 -15.138 10.386 1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.988 12.415 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.102 10.676 -0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.596 9.773 -0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.402 13.727 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.620 10.058 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.424 14.010 -2.817 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.009 12.173 -3.072 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.812 11.667 3.632 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.747 12.096 4.523 1.00 0.00 C ATOM 1343 C CYS A 88 -12.330 10.901 5.383 1.00 0.00 C ATOM 1344 O CYS A 88 -13.177 10.222 5.960 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.170 13.293 5.376 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.450 14.832 4.695 1.00 0.00 S ATOM 0 H CYS A 88 -14.568 11.155 4.087 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.894 12.436 3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.257 13.369 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.840 13.152 6.405 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.154 14.735 4.679 1.00 0.00 H new ATOM 1352 N PHE A 89 -11.025 10.681 5.441 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.485 9.581 6.221 1.00 0.00 C ATOM 1354 C PHE A 89 -9.506 10.088 7.282 1.00 0.00 C ATOM 1355 O PHE A 89 -8.760 11.036 7.040 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.737 8.667 5.248 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.636 9.373 4.454 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -8.961 10.169 3.400 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -7.332 9.206 4.803 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -7.939 10.824 2.663 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -6.310 9.861 4.066 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.635 10.656 3.011 1.00 0.00 C ATOM 0 H PHE A 89 -10.325 11.246 4.960 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.292 9.057 6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.296 7.842 5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.453 8.233 4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -9.996 10.303 3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.074 8.575 5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.197 11.456 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.275 9.728 4.343 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.858 11.154 2.450 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.540 9.435 8.434 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.665 9.808 9.532 1.00 0.00 C ATOM 1374 C VAL A 90 -7.502 8.817 9.611 1.00 0.00 C ATOM 1375 O VAL A 90 -7.715 7.605 9.639 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.465 9.895 10.833 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.569 9.641 12.046 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.176 11.245 10.949 1.00 0.00 C ATOM 0 H VAL A 90 -10.160 8.649 8.631 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.239 10.797 9.361 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.227 9.116 10.811 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.163 9.709 12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.130 8.646 11.972 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.775 10.387 12.074 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.738 11.281 11.882 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.438 12.047 10.938 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.860 11.370 10.109 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.297 9.368 9.644 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.101 8.547 9.720 1.00 0.00 C ATOM 1390 C ILE A 91 -4.723 8.337 11.188 1.00 0.00 C ATOM 1391 O ILE A 91 -4.201 9.244 11.834 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.979 9.157 8.877 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.168 8.833 7.394 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.606 8.716 9.390 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.299 9.738 6.520 1.00 0.00 C ATOM 0 H ILE A 91 -6.124 10.373 9.619 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.288 7.561 9.295 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.028 10.241 8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.912 7.790 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.216 8.956 7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.826 9.163 8.774 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.482 9.040 10.423 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.530 7.630 9.339 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.452 9.487 5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.574 10.779 6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.250 9.594 6.778 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.002 7.135 11.671 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.698 6.795 13.050 1.00 0.00 C ATOM 1409 C ASN A 92 -3.210 6.463 13.173 1.00 0.00 C ATOM 1410 O ASN A 92 -2.704 5.590 12.469 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.495 5.570 13.504 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.258 5.859 14.798 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.726 6.398 15.755 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.530 5.474 14.773 1.00 0.00 N ATOM 0 H ASN A 92 -5.435 6.385 11.132 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.963 7.649 13.674 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.196 5.278 12.722 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.819 4.729 13.657 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.124 5.624 15.588 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.912 5.028 13.939 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.549 7.176 14.073 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.129 6.968 14.297 1.00 0.00 C ATOM 1423 C ALA A 93 -0.882 6.727 15.788 1.00 0.00 C ATOM 1424 O ALA A 93 -1.738 6.180 16.482 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.346 8.170 13.764 1.00 0.00 C ATOM 0 H ALA A 93 -2.971 7.899 14.656 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.781 6.087 13.758 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.720 8.014 13.932 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.532 8.281 12.696 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.667 9.073 14.284 1.00 0.00 H new ATOM 1431 N LEU A 94 0.292 7.146 16.236 1.00 0.00 N ATOM 1432 CA LEU A 94 0.662 6.982 17.632 1.00 0.00 C ATOM 1433 C LEU A 94 -0.552 7.276 18.515 1.00 0.00 C ATOM 1434 O LEU A 94 -1.131 6.364 19.104 1.00 0.00 O ATOM 1435 CB LEU A 94 1.887 7.837 17.965 1.00 0.00 C ATOM 1436 CG LEU A 94 3.103 7.650 17.057 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.383 8.119 17.751 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.210 6.202 16.575 1.00 0.00 C ATOM 0 H LEU A 94 1.000 7.599 15.657 1.00 0.00 H new ATOM 0 HA LEU A 94 0.958 5.952 17.830 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.593 8.886 17.933 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.188 7.622 18.990 1.00 0.00 H new ATOM 0 HG LEU A 94 2.969 8.274 16.174 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.233 7.975 17.083 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.294 9.176 18.002 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.536 7.541 18.662 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.083 6.096 15.931 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.311 5.539 17.434 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.313 5.937 16.016 1.00 0.00 H new ATOM 1450 N SER A 95 -0.902 8.552 18.579 1.00 0.00 N ATOM 1451 CA SER A 95 -2.037 8.978 19.381 1.00 0.00 C ATOM 1452 C SER A 95 -2.624 10.271 18.812 1.00 0.00 C ATOM 1453 O SER A 95 -3.070 11.137 19.563 1.00 0.00 O ATOM 1454 CB SER A 95 -1.635 9.175 20.844 1.00 0.00 C ATOM 1455 OG SER A 95 -0.367 9.813 20.967 1.00 0.00 O ATOM 0 H SER A 95 -0.420 9.305 18.089 1.00 0.00 H new ATOM 0 HA SER A 95 -2.795 8.196 19.344 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.392 9.773 21.351 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.604 8.208 21.345 1.00 0.00 H new ATOM 0 HG SER A 95 -0.147 9.922 21.916 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.605 10.361 17.490 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.129 11.534 16.812 1.00 0.00 C ATOM 1463 C GLN A 96 -4.037 11.116 15.653 1.00 0.00 C ATOM 1464 O GLN A 96 -3.946 9.991 15.164 1.00 0.00 O ATOM 1465 CB GLN A 96 -1.996 12.437 16.323 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.496 13.419 15.261 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.372 14.349 14.800 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.241 14.267 15.250 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.745 15.235 13.881 1.00 0.00 N ATOM 0 H GLN A 96 -2.235 9.640 16.870 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.723 12.106 17.525 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.577 12.988 17.165 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.193 11.827 15.910 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.889 12.867 14.407 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.318 14.009 15.665 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.709 15.249 13.548 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.067 15.901 13.509 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.891 12.044 15.248 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.814 11.786 14.156 1.00 0.00 C ATOM 1480 C ARG A 97 -5.737 12.908 13.119 1.00 0.00 C ATOM 1481 O ARG A 97 -6.100 14.048 13.405 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.252 11.670 14.666 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.792 13.034 15.098 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.968 12.877 16.064 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.706 13.636 17.308 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.328 13.408 18.472 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.251 12.441 18.560 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -9.026 14.146 19.549 1.00 0.00 N ATOM 0 H ARG A 97 -4.963 12.976 15.656 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.526 10.841 13.695 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.887 11.255 13.883 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.289 10.977 15.507 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.998 13.609 15.576 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.110 13.598 14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.885 13.236 15.596 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.120 11.823 16.296 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.008 14.379 17.277 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.480 11.878 17.741 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.725 12.267 19.446 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.322 14.881 19.482 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.500 13.972 20.435 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.261 12.547 11.937 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.131 13.509 10.856 1.00 0.00 C ATOM 1504 C TYR A 98 -6.339 13.448 9.919 1.00 0.00 C ATOM 1505 O TYR A 98 -6.660 12.388 9.382 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.877 13.104 10.078 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.586 13.185 10.895 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.337 12.258 11.887 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.669 14.185 10.639 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -1.122 12.334 12.655 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.454 14.261 11.408 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.240 13.332 12.378 1.00 0.00 C ATOM 1513 OH TYR A 98 0.908 13.404 13.103 1.00 0.00 O ATOM 0 H TYR A 98 -4.960 11.601 11.704 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.069 14.523 11.251 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.001 12.084 9.714 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.782 13.746 9.202 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.054 11.475 12.087 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.863 14.910 9.862 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.915 11.615 13.434 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.271 15.038 11.219 1.00 0.00 H new ATOM 0 HH TYR A 98 0.695 13.363 14.059 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.977 14.597 9.751 1.00 0.00 N ATOM 1524 CA PHE A 99 -8.143 14.687 8.889 1.00 0.00 C ATOM 1525 C PHE A 99 -7.757 15.189 7.496 1.00 0.00 C ATOM 1526 O PHE A 99 -7.462 16.370 7.317 1.00 0.00 O ATOM 1527 CB PHE A 99 -9.099 15.693 9.533 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.819 15.160 10.773 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.638 14.079 10.673 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.641 15.768 11.977 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -11.306 13.585 11.824 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.309 15.274 13.128 1.00 0.00 C ATOM 1533 CZ PHE A 99 -11.128 14.193 13.027 1.00 0.00 C ATOM 0 H PHE A 99 -6.708 15.474 10.198 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.601 13.704 8.778 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.539 16.587 9.807 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.842 15.996 8.796 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.780 13.596 9.717 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.991 16.627 12.057 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.956 12.726 11.744 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.167 15.757 14.084 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.637 13.817 13.902 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.770 14.266 6.545 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.425 14.600 5.174 1.00 0.00 C ATOM 1545 C LEU A 100 -8.680 14.516 4.302 1.00 0.00 C ATOM 1546 O LEU A 100 -9.537 13.661 4.522 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.275 13.720 4.681 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.020 13.704 5.558 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.124 12.631 6.643 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.759 13.539 4.707 1.00 0.00 C ATOM 0 H LEU A 100 -8.014 13.287 6.697 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.061 15.625 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.641 12.698 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.992 14.052 3.682 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.943 14.667 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.220 12.641 7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.989 12.835 7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.237 11.652 6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.882 13.531 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.812 12.600 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.683 14.369 4.004 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.748 15.414 3.330 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.883 15.452 2.424 1.00 0.00 C ATOM 1564 C GLN A 101 -9.464 14.990 1.028 1.00 0.00 C ATOM 1565 O GLN A 101 -8.363 15.298 0.573 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.500 16.852 2.377 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.929 16.803 1.833 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.520 18.210 1.716 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.909 19.125 1.189 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.738 18.330 2.234 1.00 0.00 N ATOM 0 H GLN A 101 -8.035 16.121 3.150 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.644 14.767 2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.502 17.286 3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.890 17.501 1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.933 16.320 0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.552 16.197 2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.193 17.523 2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.218 19.229 2.205 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.363 14.259 0.386 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.100 13.751 -0.950 1.00 0.00 C ATOM 1581 C ALA A 102 -10.999 14.476 -1.953 1.00 0.00 C ATOM 1582 O ALA A 102 -11.925 15.186 -1.562 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.307 12.235 -0.970 1.00 0.00 C ATOM 0 H ALA A 102 -11.275 14.006 0.766 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.066 13.942 -1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.110 11.854 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.624 11.765 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.335 12.004 -0.690 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.696 14.273 -3.226 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.465 14.898 -4.288 1.00 0.00 C ATOM 1591 C ASN A 103 -12.812 14.185 -4.424 1.00 0.00 C ATOM 1592 O ASN A 103 -13.858 14.765 -4.136 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.738 14.795 -5.630 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.935 16.065 -5.918 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.375 16.963 -6.617 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.737 16.090 -5.342 1.00 0.00 N ATOM 0 H ASN A 103 -9.928 13.684 -3.546 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.601 15.949 -4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.071 13.933 -5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.462 14.629 -6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.125 16.895 -5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.430 15.304 -4.769 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.743 12.937 -4.863 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.944 12.138 -5.041 1.00 0.00 C ATOM 1605 C ASP A 104 -13.984 11.042 -3.975 1.00 0.00 C ATOM 1606 O ASP A 104 -13.281 11.123 -2.969 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.958 11.463 -6.414 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.551 12.364 -7.582 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -14.328 13.298 -7.876 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -12.472 12.098 -8.155 1.00 0.00 O ATOM 0 H ASP A 104 -11.874 12.459 -5.101 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.806 12.800 -4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.288 10.604 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.960 11.079 -6.603 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.816 10.042 -4.231 1.00 0.00 N ATOM 1616 CA GLN A 105 -14.958 8.931 -3.305 1.00 0.00 C ATOM 1617 C GLN A 105 -13.889 7.872 -3.580 1.00 0.00 C ATOM 1618 O GLN A 105 -13.546 7.087 -2.697 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.361 8.328 -3.384 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.389 6.922 -2.781 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.789 6.313 -2.872 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.276 5.969 -3.937 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.408 6.201 -1.700 1.00 0.00 N ATOM 0 H GLN A 105 -15.398 9.978 -5.066 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.817 9.307 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.066 8.969 -2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.685 8.288 -4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.677 6.284 -3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.074 6.964 -1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.943 6.509 -0.846 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.348 5.807 -1.655 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.392 7.883 -4.809 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.370 6.932 -5.211 1.00 0.00 C ATOM 1634 C LYS A 106 -11.050 7.288 -4.523 1.00 0.00 C ATOM 1635 O LYS A 106 -10.579 6.552 -3.657 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.270 6.866 -6.736 1.00 0.00 C ATOM 1637 CG LYS A 106 -11.550 5.593 -7.184 1.00 0.00 C ATOM 1638 CD LYS A 106 -12.173 5.033 -8.465 1.00 0.00 C ATOM 1639 CE LYS A 106 -11.096 4.485 -9.404 1.00 0.00 C ATOM 1640 NZ LYS A 106 -11.500 4.665 -10.816 1.00 0.00 N ATOM 0 H LYS A 106 -13.678 8.535 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.637 5.926 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.269 6.895 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.735 7.740 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.495 5.808 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.601 4.845 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.879 4.241 -8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.738 5.816 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.151 4.997 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.930 3.427 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.758 4.288 -11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.390 4.156 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.636 5.677 -11.012 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.490 8.416 -4.935 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.234 8.878 -4.369 1.00 0.00 C ATOM 1656 C ASP A 107 -9.293 8.761 -2.845 1.00 0.00 C ATOM 1657 O ASP A 107 -8.280 8.496 -2.200 1.00 0.00 O ATOM 1658 CB ASP A 107 -8.977 10.344 -4.722 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.509 10.706 -4.952 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.925 10.134 -5.897 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.004 11.547 -4.177 1.00 0.00 O ATOM 0 H ASP A 107 -10.883 9.023 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.433 8.263 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.541 10.590 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.368 10.969 -3.919 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.489 8.965 -2.313 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.693 8.886 -0.877 1.00 0.00 C ATOM 1668 C LEU A 108 -10.401 7.461 -0.402 1.00 0.00 C ATOM 1669 O LEU A 108 -9.440 7.232 0.331 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.092 9.383 -0.506 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.623 8.938 0.858 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.495 7.688 0.725 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.477 8.735 1.852 1.00 0.00 C ATOM 0 H LEU A 108 -11.327 9.185 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.997 9.545 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.088 10.473 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.790 9.047 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.256 9.732 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.860 7.392 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.342 7.903 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.905 6.877 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.881 8.419 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.799 7.970 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.934 9.672 1.977 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.248 6.541 -0.839 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.093 5.145 -0.468 1.00 0.00 C ATOM 1687 C LYS A 109 -9.697 4.666 -0.872 1.00 0.00 C ATOM 1688 O LYS A 109 -9.011 4.011 -0.090 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.227 4.304 -1.058 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.219 3.881 0.027 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.274 2.358 0.157 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.719 1.871 0.284 1.00 0.00 C ATOM 1693 NZ LYS A 109 -14.814 0.787 1.288 1.00 0.00 N ATOM 0 H LYS A 109 -12.044 6.735 -1.447 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.170 5.028 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.746 4.876 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.814 3.419 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.929 4.321 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.211 4.265 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.806 1.898 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.702 2.043 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.364 2.700 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.074 1.512 -0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.801 0.468 1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.213 -0.010 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.494 1.141 2.212 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.320 5.011 -2.094 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.018 4.625 -2.613 1.00 0.00 C ATOM 1709 C ASP A 110 -6.943 4.951 -1.574 1.00 0.00 C ATOM 1710 O ASP A 110 -6.264 4.055 -1.075 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.686 5.392 -3.894 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.971 4.635 -5.193 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -8.440 3.481 -5.086 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -7.713 5.228 -6.263 1.00 0.00 O ATOM 0 H ASP A 110 -9.893 5.554 -2.740 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.044 3.557 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.255 6.322 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.631 5.664 -3.874 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.822 6.237 -1.279 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.841 6.693 -0.308 1.00 0.00 C ATOM 1721 C TRP A 111 -5.977 5.826 0.945 1.00 0.00 C ATOM 1722 O TRP A 111 -4.991 5.279 1.436 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.006 8.187 -0.023 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.180 9.091 -0.940 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.618 9.886 -1.926 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.747 9.261 -0.917 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.576 10.554 -2.538 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.402 10.161 -1.905 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -2.774 8.673 -0.090 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.083 10.555 -2.157 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.460 9.077 -0.354 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.097 9.982 -1.345 1.00 0.00 C ATOM 0 H TRP A 111 -7.387 6.978 -1.695 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.830 6.581 -0.699 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.059 8.451 -0.122 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -5.725 8.382 1.012 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.656 9.991 -2.207 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.653 11.214 -3.312 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.021 7.965 0.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.839 11.263 -2.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.673 8.656 0.255 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.059 10.242 -1.488 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.208 5.728 1.427 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.486 4.937 2.613 1.00 0.00 C ATOM 1745 C VAL A 112 -6.904 3.533 2.433 1.00 0.00 C ATOM 1746 O VAL A 112 -6.104 3.080 3.251 1.00 0.00 O ATOM 1747 CB VAL A 112 -8.990 4.928 2.896 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.339 3.898 3.972 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.481 6.322 3.291 1.00 0.00 C ATOM 0 H VAL A 112 -8.023 6.183 1.017 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.007 5.379 3.487 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.503 4.640 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.414 3.912 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.041 2.905 3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.812 4.142 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.553 6.288 3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.958 6.651 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.282 7.021 2.479 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.327 2.885 1.358 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.857 1.543 1.060 1.00 0.00 C ATOM 1761 C GLU A 113 -5.329 1.517 0.995 1.00 0.00 C ATOM 1762 O GLU A 113 -4.691 0.669 1.618 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.470 1.023 -0.242 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.991 1.190 -0.236 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.687 -0.111 -0.641 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.103 -0.828 -1.483 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.786 -0.360 -0.100 1.00 0.00 O ATOM 0 H GLU A 113 -7.990 3.264 0.682 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.178 0.881 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.045 1.561 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.216 -0.029 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.324 1.490 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.276 1.988 -0.922 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.785 2.456 0.235 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.343 2.552 0.081 1.00 0.00 C ATOM 1776 C ALA A 114 -2.697 2.712 1.458 1.00 0.00 C ATOM 1777 O ALA A 114 -1.708 2.047 1.764 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.007 3.712 -0.859 1.00 0.00 C ATOM 0 H ALA A 114 -5.317 3.157 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.943 1.642 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.926 3.785 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.465 3.536 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.390 4.642 -0.440 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.281 3.597 2.252 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.774 3.852 3.590 1.00 0.00 C ATOM 1786 C LEU A 115 -2.981 2.607 4.455 1.00 0.00 C ATOM 1787 O LEU A 115 -2.304 2.430 5.467 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.408 5.117 4.171 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.084 6.424 3.444 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.126 7.499 3.758 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.663 6.892 3.766 1.00 0.00 C ATOM 0 H LEU A 115 -4.101 4.147 1.995 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.702 4.045 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.490 4.987 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.092 5.214 5.210 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.127 6.238 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.872 8.417 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.110 7.156 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.139 7.690 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.458 7.823 3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.569 7.056 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.949 6.131 3.451 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.919 1.776 4.025 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.224 0.553 4.748 1.00 0.00 C ATOM 1805 C ASN A 116 -3.246 -0.544 4.321 1.00 0.00 C ATOM 1806 O ASN A 116 -3.059 -1.527 5.037 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.642 0.068 4.437 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.520 0.104 5.690 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.778 -0.903 6.328 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -6.964 1.318 6.004 1.00 0.00 N ATOM 0 H ASN A 116 -4.478 1.926 3.185 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.140 0.762 5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.083 0.694 3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.605 -0.948 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.559 1.448 6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -6.710 2.119 5.426 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.647 -0.338 3.158 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.693 -1.297 2.628 1.00 0.00 C ATOM 1819 C GLN A 117 -0.270 -0.913 3.039 1.00 0.00 C ATOM 1820 O GLN A 117 0.451 -1.721 3.622 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.812 -1.406 1.106 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.195 -1.921 0.701 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.110 -2.789 -0.556 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.683 -2.356 -1.614 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -3.539 -4.036 -0.382 1.00 0.00 N ATOM 0 H GLN A 117 -2.804 0.479 2.568 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.921 -2.276 3.049 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.636 -0.430 0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.043 -2.078 0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.625 -2.500 1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.863 -1.078 0.521 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.884 -4.334 0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -3.523 -4.694 -1.161 1.00 0.00 H new ATOM 1834 N ALA A 118 0.092 0.321 2.720 1.00 0.00 N ATOM 1835 CA ALA A 118 1.415 0.822 3.049 1.00 0.00 C ATOM 1836 C ALA A 118 1.707 0.546 4.526 1.00 0.00 C ATOM 1837 O ALA A 118 2.863 0.377 4.913 1.00 0.00 O ATOM 1838 CB ALA A 118 1.498 2.311 2.707 1.00 0.00 C ATOM 0 H ALA A 118 -0.509 0.989 2.237 1.00 0.00 H new ATOM 0 HA ALA A 118 2.176 0.310 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.491 2.686 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.312 2.451 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.750 2.858 3.281 1.00 0.00 H new ATOM 1844 N SER A 119 0.640 0.509 5.310 1.00 0.00 N ATOM 1845 CA SER A 119 0.767 0.256 6.735 1.00 0.00 C ATOM 1846 C SER A 119 0.912 -1.245 6.990 1.00 0.00 C ATOM 1847 O SER A 119 1.669 -1.660 7.866 1.00 0.00 O ATOM 1848 CB SER A 119 -0.434 0.812 7.503 1.00 0.00 C ATOM 1849 OG SER A 119 -0.806 -0.028 8.592 1.00 0.00 O ATOM 0 H SER A 119 -0.317 0.650 4.985 1.00 0.00 H new ATOM 0 HA SER A 119 1.661 0.766 7.094 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.195 1.807 7.878 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.280 0.921 6.824 1.00 0.00 H new ATOM 0 HG SER A 119 -1.575 0.362 9.058 1.00 0.00 H new