USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 411 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 33 CYS SG : rot 153:sc= 0.218 USER MOD Set 1.2: A 36 CYS SG : rot -45:sc= -1.56 USER MOD Set 1.3: A 64 CYS SG : rot -71:sc= 1.3 USER MOD Set 1.4: A 67 CYS SG : rot -70:sc= -1.56 USER MOD Set 2.1: A 19 CYS SG : rot 19:sc= 0.593 USER MOD Set 2.2: A 21 CYS SG : rot -76:sc= -1.7 USER MOD Set 2.3: A 41 HIS :FLIP no HE2:sc= -2.83! F(o=-5.6,f=-4!) USER MOD Set 2.4: A 44 CYS SG : rot -160:sc= -0.0703 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0562 K(o=-0.056,f=-3.7!) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.876 F(o=-1.6!,f=-0.88) USER MOD Single : A 26 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 27 ASN : amide:sc=-0.00496 X(o=-0.005,f=-0.0073) USER MOD Single : A 30 MET CE :methyl 152:sc= -2.57! (180deg=-4.51!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 58 ASN : amide:sc= -5.07! C(o=-5.1!,f=-12!) USER MOD Single : A 62 TYR OH : rot 30:sc= 0.392 USER MOD Single : A 66 ASN : amide:sc= -3.05 K(o=-3,f=-3.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N ALA A 16 -6.658 22.604 7.298 1.00 0.00 N ATOM 185 CA ALA A 16 -6.541 22.005 5.975 1.00 0.00 C ATOM 186 C ALA A 16 -6.849 20.512 6.020 1.00 0.00 C ATOM 187 O ALA A 16 -6.159 19.745 6.693 1.00 0.00 O ATOM 188 CB ALA A 16 -5.148 22.241 5.410 1.00 0.00 C ATOM 0 HA ALA A 16 -7.272 22.481 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.075 21.788 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.963 23.312 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.406 21.792 6.071 1.00 0.00 H new ATOM 194 N LEU A 17 -7.889 20.106 5.300 1.00 0.00 N ATOM 195 CA LEU A 17 -8.290 18.703 5.258 1.00 0.00 C ATOM 196 C LEU A 17 -8.105 18.126 3.858 1.00 0.00 C ATOM 197 O LEU A 17 -8.021 18.865 2.877 1.00 0.00 O ATOM 198 CB LEU A 17 -9.748 18.556 5.695 1.00 0.00 C ATOM 199 CG LEU A 17 -10.082 19.057 7.101 1.00 0.00 C ATOM 200 CD1 LEU A 17 -11.559 19.405 7.207 1.00 0.00 C ATOM 201 CD2 LEU A 17 -9.701 18.015 8.142 1.00 0.00 C ATOM 0 H LEU A 17 -8.470 20.728 4.737 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.654 18.147 5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.376 19.091 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.021 17.503 5.632 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.503 19.961 7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.778 19.760 8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.801 20.186 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.158 18.519 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.946 18.388 9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.253 17.094 7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.631 17.815 8.082 1.00 0.00 H new ATOM 213 N TYR A 18 -8.045 16.802 3.774 1.00 0.00 N ATOM 214 CA TYR A 18 -7.871 16.125 2.494 1.00 0.00 C ATOM 215 C TYR A 18 -8.875 14.988 2.338 1.00 0.00 C ATOM 216 O TYR A 18 -9.723 15.010 1.445 1.00 0.00 O ATOM 217 CB TYR A 18 -6.446 15.583 2.370 1.00 0.00 C ATOM 218 CG TYR A 18 -5.421 16.644 2.038 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.542 17.421 0.892 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.331 16.870 2.870 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.608 18.390 0.585 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.393 17.838 2.571 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.535 18.595 1.427 1.00 0.00 C ATOM 224 OH TYR A 18 -2.603 19.561 1.124 1.00 0.00 O ATOM 0 H TYR A 18 -8.114 16.176 4.576 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.047 16.851 1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.167 15.101 3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.425 14.815 1.597 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.381 17.264 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.216 16.278 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.717 18.985 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.553 18.001 3.229 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.912 19.578 1.819 1.00 0.00 H new ATOM 234 N CYS A 19 -8.774 13.994 3.214 1.00 0.00 N ATOM 235 CA CYS A 19 -9.673 12.846 3.176 1.00 0.00 C ATOM 236 C CYS A 19 -11.079 13.241 3.617 1.00 0.00 C ATOM 237 O CYS A 19 -11.286 14.322 4.170 1.00 0.00 O ATOM 238 CB CYS A 19 -9.141 11.726 4.072 1.00 0.00 C ATOM 239 SG CYS A 19 -9.957 10.118 3.816 1.00 0.00 S ATOM 0 H CYS A 19 -8.078 13.960 3.959 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.721 12.488 2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.072 11.611 3.895 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.262 12.021 5.114 1.00 0.00 H new ATOM 0 HG CYS A 19 -10.555 10.114 2.662 1.00 0.00 H new ATOM 244 N ILE A 20 -12.040 12.358 3.370 1.00 0.00 N ATOM 245 CA ILE A 20 -13.426 12.614 3.742 1.00 0.00 C ATOM 246 C ILE A 20 -13.626 12.470 5.247 1.00 0.00 C ATOM 247 O ILE A 20 -14.588 12.994 5.810 1.00 0.00 O ATOM 248 CB ILE A 20 -14.391 11.660 3.013 1.00 0.00 C ATOM 249 CG1 ILE A 20 -14.085 10.208 3.387 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.294 11.857 1.508 1.00 0.00 C ATOM 251 CD1 ILE A 20 -15.121 9.225 2.888 1.00 0.00 C ATOM 0 H ILE A 20 -11.885 11.459 2.914 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.649 13.639 3.444 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.410 11.889 3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.111 9.934 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.013 10.128 4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.982 11.176 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.555 12.885 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.275 11.651 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.840 8.216 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -16.093 9.473 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.177 9.277 1.801 1.00 0.00 H new ATOM 263 N CYS A 21 -12.711 11.757 5.894 1.00 0.00 N ATOM 264 CA CYS A 21 -12.785 11.544 7.335 1.00 0.00 C ATOM 265 C CYS A 21 -12.269 12.764 8.092 1.00 0.00 C ATOM 266 O CYS A 21 -12.141 12.739 9.317 1.00 0.00 O ATOM 267 CB CYS A 21 -11.978 10.305 7.730 1.00 0.00 C ATOM 268 SG CYS A 21 -10.200 10.423 7.349 1.00 0.00 S ATOM 0 H CYS A 21 -11.909 11.316 5.443 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.830 11.389 7.602 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.099 10.132 8.799 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.392 9.436 7.217 1.00 0.00 H new ATOM 0 HG CYS A 21 -10.018 10.255 6.073 1.00 0.00 H new ATOM 273 N ARG A 22 -11.975 13.830 7.355 1.00 0.00 N ATOM 274 CA ARG A 22 -11.472 15.059 7.957 1.00 0.00 C ATOM 275 C ARG A 22 -10.202 14.792 8.760 1.00 0.00 C ATOM 276 O ARG A 22 -10.091 15.199 9.916 1.00 0.00 O ATOM 277 CB ARG A 22 -12.538 15.683 8.860 1.00 0.00 C ATOM 278 CG ARG A 22 -13.609 16.448 8.100 1.00 0.00 C ATOM 279 CD ARG A 22 -14.639 15.508 7.492 1.00 0.00 C ATOM 280 NE ARG A 22 -15.773 15.288 8.385 1.00 0.00 N ATOM 281 CZ ARG A 22 -16.819 16.104 8.459 1.00 0.00 C ATOM 282 NH1 ARG A 22 -16.873 17.188 7.697 1.00 0.00 N ATOM 283 NH2 ARG A 22 -17.813 15.837 9.296 1.00 0.00 N ATOM 0 H ARG A 22 -12.076 13.868 6.341 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.233 15.756 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.013 14.895 9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.054 16.357 9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.105 17.147 8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.145 17.040 7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.995 15.922 6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.167 14.552 7.263 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.762 14.463 8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.111 17.397 7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.677 17.813 7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.775 15.004 9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.615 16.464 9.352 1.00 0.00 H new ATOM 297 N GLN A 23 -9.249 14.105 8.139 1.00 0.00 N ATOM 298 CA GLN A 23 -7.988 13.783 8.796 1.00 0.00 C ATOM 299 C GLN A 23 -6.802 14.228 7.947 1.00 0.00 C ATOM 300 O GLN A 23 -6.875 14.292 6.720 1.00 0.00 O ATOM 301 CB GLN A 23 -7.900 12.281 9.069 1.00 0.00 C ATOM 302 CG GLN A 23 -9.039 11.750 9.925 1.00 0.00 C ATOM 303 CD GLN A 23 -8.845 12.042 11.400 1.00 0.00 C ATOM 304 OE1 GLN A 23 -7.757 12.428 11.831 1.00 0.00 O ATOM 305 NE2 GLN A 23 -9.901 11.860 12.184 1.00 0.00 N ATOM 0 H GLN A 23 -9.326 13.761 7.182 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.954 14.320 9.744 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.892 11.747 8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.953 12.065 9.564 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.977 12.194 9.591 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.126 10.673 9.780 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.783 11.539 11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.830 12.041 13.185 1.00 0.00 H new ATOM 314 N PRO A 24 -5.682 14.544 8.614 1.00 0.00 N ATOM 315 CA PRO A 24 -4.458 14.989 7.940 1.00 0.00 C ATOM 316 C PRO A 24 -3.790 13.867 7.153 1.00 0.00 C ATOM 317 O PRO A 24 -4.336 12.770 7.030 1.00 0.00 O ATOM 318 CB PRO A 24 -3.561 15.439 9.096 1.00 0.00 C ATOM 319 CG PRO A 24 -4.043 14.665 10.274 1.00 0.00 C ATOM 320 CD PRO A 24 -5.523 14.491 10.077 1.00 0.00 C ATOM 0 HA PRO A 24 -4.657 15.771 7.207 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.512 15.230 8.887 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.644 16.512 9.267 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.542 13.699 10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.833 15.196 11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.874 13.543 10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.090 15.280 10.571 1.00 0.00 H new ATOM 328 N HIS A 25 -2.604 14.148 6.621 1.00 0.00 N ATOM 329 CA HIS A 25 -1.861 13.161 5.846 1.00 0.00 C ATOM 330 C HIS A 25 -0.477 12.930 6.445 1.00 0.00 C ATOM 331 O HIS A 25 0.506 13.526 6.008 1.00 0.00 O ATOM 332 CB HIS A 25 -1.730 13.617 4.392 1.00 0.00 C ATOM 333 CG HIS A 25 -0.623 12.936 3.648 1.00 0.00 C ATOM 334 ND1 HIS A 25 -0.121 11.684 3.760 1.00 0.00 N flip ATOM 335 CD2 HIS A 25 0.105 13.552 2.653 1.00 0.00 C flip ATOM 336 CE1 HIS A 25 0.891 11.567 2.839 1.00 0.00 C flip ATOM 337 NE2 HIS A 25 1.007 12.708 2.183 1.00 0.00 N flip ATOM 0 H HIS A 25 -2.138 15.051 6.713 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.413 12.221 5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.672 13.431 3.875 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.562 14.694 4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.039 14.566 2.311 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.494 10.686 2.677 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.678 12.904 1.440 1.00 0.00 H new ATOM 346 N ASN A 26 -0.410 12.061 7.449 1.00 0.00 N ATOM 347 CA ASN A 26 0.854 11.753 8.109 1.00 0.00 C ATOM 348 C ASN A 26 1.680 10.779 7.274 1.00 0.00 C ATOM 349 O ASN A 26 2.684 11.158 6.673 1.00 0.00 O ATOM 350 CB ASN A 26 0.597 11.161 9.497 1.00 0.00 C ATOM 351 CG ASN A 26 -0.328 12.026 10.332 1.00 0.00 C ATOM 352 OD1 ASN A 26 -1.629 11.797 10.203 1.00 0.00 O flip ATOM 353 ND2 ASN A 26 0.124 12.891 11.083 1.00 0.00 N flip ATOM 0 H ASN A 26 -1.215 11.558 7.823 1.00 0.00 H new ATOM 0 HA ASN A 26 1.416 12.681 8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.163 10.167 9.390 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.546 11.040 10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.132 13.032 11.150 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.510 13.466 11.638 1.00 0.00 H new ATOM 360 N ASN A 27 1.249 9.522 7.242 1.00 0.00 N ATOM 361 CA ASN A 27 1.949 8.493 6.481 1.00 0.00 C ATOM 362 C ASN A 27 0.972 7.687 5.631 1.00 0.00 C ATOM 363 O ASN A 27 1.311 7.237 4.536 1.00 0.00 O ATOM 364 CB ASN A 27 2.712 7.561 7.425 1.00 0.00 C ATOM 365 CG ASN A 27 1.847 7.061 8.566 1.00 0.00 C ATOM 366 OD1 ASN A 27 1.753 7.700 9.614 1.00 0.00 O ATOM 367 ND2 ASN A 27 1.211 5.913 8.367 1.00 0.00 N ATOM 0 H ASN A 27 0.419 9.191 7.734 1.00 0.00 H new ATOM 0 HA ASN A 27 2.659 8.986 5.817 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.093 6.710 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.576 8.087 7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.615 5.527 9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.318 5.417 7.482 1.00 0.00 H new ATOM 374 N ARG A 28 -0.241 7.508 6.143 1.00 0.00 N ATOM 375 CA ARG A 28 -1.267 6.755 5.431 1.00 0.00 C ATOM 376 C ARG A 28 -1.153 6.969 3.925 1.00 0.00 C ATOM 377 O ARG A 28 -0.924 8.087 3.462 1.00 0.00 O ATOM 378 CB ARG A 28 -2.659 7.170 5.912 1.00 0.00 C ATOM 379 CG ARG A 28 -2.874 6.968 7.403 1.00 0.00 C ATOM 380 CD ARG A 28 -3.850 7.988 7.968 1.00 0.00 C ATOM 381 NE ARG A 28 -4.497 7.510 9.187 1.00 0.00 N ATOM 382 CZ ARG A 28 -4.999 8.315 10.117 1.00 0.00 C ATOM 383 NH1 ARG A 28 -4.929 9.630 9.967 1.00 0.00 N ATOM 384 NH2 ARG A 28 -5.573 7.804 11.199 1.00 0.00 N ATOM 0 H ARG A 28 -0.538 7.874 7.048 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.117 5.696 5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.820 8.220 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.409 6.598 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.252 5.962 7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.920 7.049 7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.321 8.917 8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.609 8.216 7.220 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.567 6.503 9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.489 10.026 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.315 10.246 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.629 6.792 11.317 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.958 8.423 11.913 1.00 0.00 H new ATOM 398 N PHE A 29 -1.312 5.891 3.165 1.00 0.00 N ATOM 399 CA PHE A 29 -1.225 5.960 1.711 1.00 0.00 C ATOM 400 C PHE A 29 -2.375 6.781 1.136 1.00 0.00 C ATOM 401 O PHE A 29 -3.516 6.667 1.582 1.00 0.00 O ATOM 402 CB PHE A 29 -1.237 4.553 1.111 1.00 0.00 C ATOM 403 CG PHE A 29 -1.436 4.538 -0.378 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.451 5.017 -1.227 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.609 4.045 -0.929 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.631 5.004 -2.597 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.794 4.030 -2.298 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.805 4.511 -3.133 1.00 0.00 C ATOM 0 H PHE A 29 -1.502 4.958 3.532 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.287 6.450 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.296 4.057 1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.031 3.973 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.468 5.405 -0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.387 3.669 -0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.145 5.379 -3.248 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.712 3.642 -2.715 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.949 4.502 -4.203 1.00 0.00 H new ATOM 418 N MET A 30 -2.065 7.608 0.143 1.00 0.00 N ATOM 419 CA MET A 30 -3.073 8.448 -0.494 1.00 0.00 C ATOM 420 C MET A 30 -3.034 8.287 -2.011 1.00 0.00 C ATOM 421 O MET A 30 -2.028 7.854 -2.573 1.00 0.00 O ATOM 422 CB MET A 30 -2.856 9.915 -0.120 1.00 0.00 C ATOM 423 CG MET A 30 -3.012 10.192 1.367 1.00 0.00 C ATOM 424 SD MET A 30 -4.739 10.288 1.878 1.00 0.00 S ATOM 425 CE MET A 30 -4.903 12.044 2.189 1.00 0.00 C ATOM 0 H MET A 30 -1.125 7.715 -0.238 1.00 0.00 H new ATOM 0 HA MET A 30 -4.053 8.131 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.857 10.218 -0.435 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.565 10.531 -0.673 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.513 9.406 1.933 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.512 11.129 1.613 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.937 12.348 2.025 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.621 12.259 3.220 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.251 12.596 1.512 1.00 0.00 H new ATOM 435 N ILE A 31 -4.135 8.639 -2.666 1.00 0.00 N ATOM 436 CA ILE A 31 -4.226 8.534 -4.118 1.00 0.00 C ATOM 437 C ILE A 31 -4.879 9.774 -4.718 1.00 0.00 C ATOM 438 O ILE A 31 -5.581 10.515 -4.028 1.00 0.00 O ATOM 439 CB ILE A 31 -5.026 7.289 -4.543 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.523 7.520 -4.330 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.557 6.067 -3.766 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.914 7.649 -2.875 1.00 0.00 C ATOM 0 H ILE A 31 -4.976 8.999 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.206 8.446 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.853 7.109 -5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.822 8.425 -4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.077 6.693 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.132 5.195 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.499 5.894 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.704 6.236 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.989 7.811 -2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.647 6.735 -2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.388 8.494 -2.430 1.00 0.00 H new ATOM 454 N CYS A 32 -4.646 9.992 -6.008 1.00 0.00 N ATOM 455 CA CYS A 32 -5.213 11.142 -6.703 1.00 0.00 C ATOM 456 C CYS A 32 -6.427 10.733 -7.531 1.00 0.00 C ATOM 457 O CYS A 32 -6.292 10.123 -8.592 1.00 0.00 O ATOM 458 CB CYS A 32 -4.161 11.789 -7.605 1.00 0.00 C ATOM 459 SG CYS A 32 -4.641 13.405 -8.258 1.00 0.00 S ATOM 0 H CYS A 32 -4.069 9.388 -6.593 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.534 11.866 -5.954 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.233 11.897 -7.043 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.952 11.119 -8.439 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.686 13.871 -9.007 1.00 0.00 H new ATOM 465 N CYS A 33 -7.614 11.071 -7.038 1.00 0.00 N ATOM 466 CA CYS A 33 -8.853 10.738 -7.730 1.00 0.00 C ATOM 467 C CYS A 33 -8.953 11.485 -9.057 1.00 0.00 C ATOM 468 O CYS A 33 -8.179 12.404 -9.324 1.00 0.00 O ATOM 469 CB CYS A 33 -10.059 11.074 -6.850 1.00 0.00 C ATOM 470 SG CYS A 33 -11.609 10.275 -7.378 1.00 0.00 S ATOM 0 H CYS A 33 -7.744 11.576 -6.161 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.849 9.668 -7.936 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.841 10.777 -5.824 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.203 12.154 -6.846 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.389 10.119 -6.350 1.00 0.00 H new ATOM 475 N ASP A 34 -9.912 11.084 -9.884 1.00 0.00 N ATOM 476 CA ASP A 34 -10.116 11.716 -11.182 1.00 0.00 C ATOM 477 C ASP A 34 -11.381 12.569 -11.180 1.00 0.00 C ATOM 478 O ASP A 34 -11.433 13.620 -11.818 1.00 0.00 O ATOM 479 CB ASP A 34 -10.203 10.655 -12.281 1.00 0.00 C ATOM 480 CG ASP A 34 -10.908 11.165 -13.522 1.00 0.00 C ATOM 481 OD1 ASP A 34 -10.778 12.369 -13.828 1.00 0.00 O ATOM 482 OD2 ASP A 34 -11.590 10.359 -14.189 1.00 0.00 O ATOM 0 H ASP A 34 -10.561 10.324 -9.679 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.263 12.365 -11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.198 10.327 -12.546 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.732 9.782 -11.899 1.00 0.00 H new ATOM 487 N ARG A 35 -12.397 12.108 -10.459 1.00 0.00 N ATOM 488 CA ARG A 35 -13.663 12.827 -10.375 1.00 0.00 C ATOM 489 C ARG A 35 -13.522 14.076 -9.510 1.00 0.00 C ATOM 490 O ARG A 35 -13.634 15.200 -10.001 1.00 0.00 O ATOM 491 CB ARG A 35 -14.753 11.918 -9.805 1.00 0.00 C ATOM 492 CG ARG A 35 -15.380 10.996 -10.838 1.00 0.00 C ATOM 493 CD ARG A 35 -16.591 11.638 -11.496 1.00 0.00 C ATOM 494 NE ARG A 35 -16.779 11.173 -12.868 1.00 0.00 N ATOM 495 CZ ARG A 35 -17.894 11.365 -13.563 1.00 0.00 C ATOM 496 NH1 ARG A 35 -18.915 12.011 -13.018 1.00 0.00 N ATOM 497 NH2 ARG A 35 -17.989 10.912 -14.806 1.00 0.00 N ATOM 0 H ARG A 35 -12.369 11.240 -9.924 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.946 13.134 -11.382 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.328 11.315 -9.003 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.533 12.536 -9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.641 10.745 -11.599 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.676 10.062 -10.361 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.483 11.413 -10.911 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.473 12.722 -11.493 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.011 10.673 -13.317 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.845 12.362 -12.063 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -19.771 12.157 -13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.205 10.415 -15.229 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.846 11.060 -15.339 1.00 0.00 H new ATOM 511 N CYS A 36 -13.277 13.871 -8.220 1.00 0.00 N ATOM 512 CA CYS A 36 -13.122 14.979 -7.286 1.00 0.00 C ATOM 513 C CYS A 36 -11.667 15.436 -7.221 1.00 0.00 C ATOM 514 O CYS A 36 -11.375 16.549 -6.784 1.00 0.00 O ATOM 515 CB CYS A 36 -13.602 14.570 -5.892 1.00 0.00 C ATOM 516 SG CYS A 36 -12.585 13.279 -5.105 1.00 0.00 S ATOM 0 H CYS A 36 -13.182 12.947 -7.798 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.730 15.810 -7.643 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.613 15.451 -5.250 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.630 14.215 -5.963 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.333 12.339 -5.967 1.00 0.00 H new ATOM 521 N GLU A 37 -10.760 14.569 -7.658 1.00 0.00 N ATOM 522 CA GLU A 37 -9.336 14.884 -7.648 1.00 0.00 C ATOM 523 C GLU A 37 -8.881 15.306 -6.254 1.00 0.00 C ATOM 524 O GLU A 37 -8.276 16.363 -6.081 1.00 0.00 O ATOM 525 CB GLU A 37 -9.030 15.995 -8.655 1.00 0.00 C ATOM 526 CG GLU A 37 -9.297 15.601 -10.097 1.00 0.00 C ATOM 527 CD GLU A 37 -8.712 16.587 -11.090 1.00 0.00 C ATOM 528 OE1 GLU A 37 -7.578 17.057 -10.862 1.00 0.00 O ATOM 529 OE2 GLU A 37 -9.390 16.889 -12.094 1.00 0.00 O ATOM 0 H GLU A 37 -10.985 13.644 -8.023 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.789 13.985 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.630 16.871 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.985 16.287 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.878 14.612 -10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.373 15.526 -10.256 1.00 0.00 H new ATOM 536 N GLU A 38 -9.179 14.471 -5.263 1.00 0.00 N ATOM 537 CA GLU A 38 -8.802 14.758 -3.884 1.00 0.00 C ATOM 538 C GLU A 38 -7.853 13.691 -3.346 1.00 0.00 C ATOM 539 O GLU A 38 -7.477 12.762 -4.061 1.00 0.00 O ATOM 540 CB GLU A 38 -10.047 14.842 -2.999 1.00 0.00 C ATOM 541 CG GLU A 38 -10.630 16.242 -2.900 1.00 0.00 C ATOM 542 CD GLU A 38 -11.733 16.343 -1.865 1.00 0.00 C ATOM 543 OE1 GLU A 38 -12.873 15.934 -2.172 1.00 0.00 O ATOM 544 OE2 GLU A 38 -11.458 16.830 -0.749 1.00 0.00 O ATOM 0 H GLU A 38 -9.680 13.591 -5.389 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.287 15.719 -3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.808 14.168 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.796 14.491 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.836 16.945 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.022 16.538 -3.873 1.00 0.00 H new ATOM 551 N TRP A 39 -7.469 13.832 -2.082 1.00 0.00 N ATOM 552 CA TRP A 39 -6.564 12.881 -1.448 1.00 0.00 C ATOM 553 C TRP A 39 -7.260 12.142 -0.311 1.00 0.00 C ATOM 554 O TRP A 39 -7.697 12.753 0.665 1.00 0.00 O ATOM 555 CB TRP A 39 -5.323 13.602 -0.920 1.00 0.00 C ATOM 556 CG TRP A 39 -4.435 14.130 -2.006 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.206 15.441 -2.312 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.659 13.358 -2.929 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.335 15.531 -3.371 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.984 14.268 -3.767 1.00 0.00 C ATOM 561 CE3 TRP A 39 -3.467 11.989 -3.129 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -2.134 13.849 -4.788 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.624 11.575 -4.142 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.965 12.502 -4.960 1.00 0.00 C ATOM 0 H TRP A 39 -7.770 14.596 -1.477 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.260 12.151 -2.198 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.636 14.429 -0.282 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.752 12.916 -0.295 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.645 16.283 -1.797 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.004 16.398 -3.794 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.969 11.267 -2.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.627 14.562 -5.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.470 10.519 -4.306 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.310 12.146 -5.742 1.00 0.00 H new ATOM 575 N PHE A 40 -7.361 10.823 -0.442 1.00 0.00 N ATOM 576 CA PHE A 40 -8.005 10.000 0.575 1.00 0.00 C ATOM 577 C PHE A 40 -7.124 8.814 0.954 1.00 0.00 C ATOM 578 O PHE A 40 -6.220 8.434 0.208 1.00 0.00 O ATOM 579 CB PHE A 40 -9.362 9.503 0.074 1.00 0.00 C ATOM 580 CG PHE A 40 -10.175 10.565 -0.610 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.973 11.426 0.125 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.141 10.700 -1.989 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.721 12.405 -0.502 1.00 0.00 C ATOM 584 CE2 PHE A 40 -10.887 11.677 -2.621 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.679 12.530 -1.877 1.00 0.00 C ATOM 0 H PHE A 40 -7.005 10.301 -1.243 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.156 10.615 1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.204 8.676 -0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.929 9.109 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.011 11.331 1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.525 10.035 -2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.338 13.072 0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.851 11.773 -3.696 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.264 13.293 -2.369 1.00 0.00 H new ATOM 595 N HIS A 41 -7.393 8.232 2.118 1.00 0.00 N ATOM 596 CA HIS A 41 -6.625 7.088 2.597 1.00 0.00 C ATOM 597 C HIS A 41 -7.118 5.795 1.953 1.00 0.00 C ATOM 598 O HIS A 41 -8.305 5.477 2.006 1.00 0.00 O ATOM 599 CB HIS A 41 -6.722 6.983 4.119 1.00 0.00 C ATOM 600 CG HIS A 41 -6.264 8.216 4.835 1.00 0.00 C ATOM 601 ND1 HIS A 41 -5.072 8.858 4.819 1.00 0.00 N flip ATOM 602 CD2 HIS A 41 -7.072 8.933 5.692 1.00 0.00 C flip ATOM 603 CE1 HIS A 41 -5.181 9.940 5.657 1.00 0.00 C flip ATOM 604 NE2 HIS A 41 -6.398 9.963 6.171 1.00 0.00 N flip ATOM 0 H HIS A 41 -8.137 8.534 2.747 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.582 7.238 2.317 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.756 6.775 4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.125 6.135 4.455 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -4.247 8.588 4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -8.096 8.690 5.934 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -4.399 10.656 5.863 1.00 0.00 H new ATOM 612 N GLY A 42 -6.197 5.054 1.345 1.00 0.00 N ATOM 613 CA GLY A 42 -6.557 3.805 0.699 1.00 0.00 C ATOM 614 C GLY A 42 -7.663 3.072 1.432 1.00 0.00 C ATOM 615 O GLY A 42 -8.743 2.855 0.882 1.00 0.00 O ATOM 0 H GLY A 42 -5.208 5.296 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.875 4.007 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.678 3.164 0.639 1.00 0.00 H new ATOM 619 N ASP A 43 -7.394 2.687 2.674 1.00 0.00 N ATOM 620 CA ASP A 43 -8.374 1.973 3.483 1.00 0.00 C ATOM 621 C ASP A 43 -9.716 2.698 3.476 1.00 0.00 C ATOM 622 O ASP A 43 -10.755 2.102 3.189 1.00 0.00 O ATOM 623 CB ASP A 43 -7.870 1.823 4.919 1.00 0.00 C ATOM 624 CG ASP A 43 -8.703 0.846 5.726 1.00 0.00 C ATOM 625 OD1 ASP A 43 -8.471 -0.374 5.604 1.00 0.00 O ATOM 626 OD2 ASP A 43 -9.588 1.303 6.480 1.00 0.00 O ATOM 0 H ASP A 43 -6.504 2.858 3.143 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.513 0.983 3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.833 1.486 4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.882 2.797 5.409 1.00 0.00 H new ATOM 631 N CYS A 44 -9.688 3.988 3.794 1.00 0.00 N ATOM 632 CA CYS A 44 -10.902 4.795 3.826 1.00 0.00 C ATOM 633 C CYS A 44 -11.707 4.617 2.542 1.00 0.00 C ATOM 634 O CYS A 44 -12.895 4.295 2.581 1.00 0.00 O ATOM 635 CB CYS A 44 -10.552 6.272 4.021 1.00 0.00 C ATOM 636 SG CYS A 44 -10.301 6.753 5.760 1.00 0.00 S ATOM 0 H CYS A 44 -8.837 4.497 4.033 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.511 4.459 4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.646 6.497 3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.350 6.882 3.598 1.00 0.00 H new ATOM 0 HG CYS A 44 -10.429 8.041 5.877 1.00 0.00 H new ATOM 641 N VAL A 45 -11.052 4.829 1.405 1.00 0.00 N ATOM 642 CA VAL A 45 -11.706 4.691 0.109 1.00 0.00 C ATOM 643 C VAL A 45 -11.619 3.257 -0.400 1.00 0.00 C ATOM 644 O VAL A 45 -11.832 2.993 -1.583 1.00 0.00 O ATOM 645 CB VAL A 45 -11.083 5.634 -0.937 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.272 7.087 -0.526 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.609 5.314 -1.132 1.00 0.00 C ATOM 0 H VAL A 45 -10.069 5.097 1.355 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.753 4.960 0.252 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.593 5.481 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.825 7.739 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.337 7.306 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.790 7.259 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.185 5.990 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.082 5.437 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.502 4.285 -1.475 1.00 0.00 H new ATOM 657 N GLY A 46 -11.304 2.332 0.502 1.00 0.00 N ATOM 658 CA GLY A 46 -11.195 0.935 0.125 1.00 0.00 C ATOM 659 C GLY A 46 -9.867 0.614 -0.532 1.00 0.00 C ATOM 660 O GLY A 46 -9.203 -0.355 -0.163 1.00 0.00 O ATOM 0 H GLY A 46 -11.122 2.525 1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.319 0.312 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.006 0.682 -0.558 1.00 0.00 H new ATOM 664 N ILE A 47 -9.481 1.427 -1.509 1.00 0.00 N ATOM 665 CA ILE A 47 -8.224 1.224 -2.220 1.00 0.00 C ATOM 666 C ILE A 47 -7.132 0.734 -1.276 1.00 0.00 C ATOM 667 O ILE A 47 -6.813 1.390 -0.285 1.00 0.00 O ATOM 668 CB ILE A 47 -7.750 2.519 -2.907 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.813 3.020 -3.887 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.429 2.285 -3.623 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.086 2.062 -5.025 1.00 0.00 C ATOM 0 H ILE A 47 -10.020 2.232 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.411 0.466 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.597 3.283 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.741 3.199 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.494 3.978 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.107 3.209 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.675 1.969 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.557 1.509 -4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.850 2.483 -5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.170 1.901 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.436 1.111 -4.624 1.00 0.00 H new ATOM 683 N SER A 48 -6.561 -0.424 -1.591 1.00 0.00 N ATOM 684 CA SER A 48 -5.505 -1.005 -0.770 1.00 0.00 C ATOM 685 C SER A 48 -4.130 -0.567 -1.264 1.00 0.00 C ATOM 686 O SER A 48 -3.951 -0.260 -2.443 1.00 0.00 O ATOM 687 CB SER A 48 -5.602 -2.531 -0.781 1.00 0.00 C ATOM 688 OG SER A 48 -5.003 -3.071 -1.947 1.00 0.00 O ATOM 0 H SER A 48 -6.812 -0.979 -2.409 1.00 0.00 H new ATOM 0 HA SER A 48 -5.635 -0.648 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.112 -2.936 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.648 -2.833 -0.733 1.00 0.00 H new ATOM 0 HG SER A 48 -5.076 -4.048 -1.930 1.00 0.00 H new ATOM 694 N GLU A 49 -3.161 -0.541 -0.354 1.00 0.00 N ATOM 695 CA GLU A 49 -1.802 -0.140 -0.697 1.00 0.00 C ATOM 696 C GLU A 49 -1.315 -0.877 -1.941 1.00 0.00 C ATOM 697 O GLU A 49 -0.654 -0.296 -2.802 1.00 0.00 O ATOM 698 CB GLU A 49 -0.855 -0.412 0.474 1.00 0.00 C ATOM 699 CG GLU A 49 0.380 0.474 0.476 1.00 0.00 C ATOM 700 CD GLU A 49 1.574 -0.192 1.132 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.440 -0.647 2.287 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.642 -0.259 0.489 1.00 0.00 O ATOM 0 H GLU A 49 -3.292 -0.793 0.626 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.809 0.929 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.396 -0.269 1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.543 -1.456 0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.635 0.739 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.155 1.404 0.998 1.00 0.00 H new ATOM 709 N ALA A 50 -1.646 -2.161 -2.028 1.00 0.00 N ATOM 710 CA ALA A 50 -1.244 -2.978 -3.167 1.00 0.00 C ATOM 711 C ALA A 50 -1.900 -2.488 -4.453 1.00 0.00 C ATOM 712 O ALA A 50 -1.288 -2.514 -5.521 1.00 0.00 O ATOM 713 CB ALA A 50 -1.594 -4.438 -2.918 1.00 0.00 C ATOM 0 H ALA A 50 -2.191 -2.658 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.164 -2.888 -3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.289 -5.037 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.075 -4.790 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.670 -4.535 -2.773 1.00 0.00 H new ATOM 719 N ARG A 51 -3.147 -2.042 -4.344 1.00 0.00 N ATOM 720 CA ARG A 51 -3.886 -1.547 -5.499 1.00 0.00 C ATOM 721 C ARG A 51 -3.307 -0.222 -5.988 1.00 0.00 C ATOM 722 O ARG A 51 -2.816 -0.125 -7.112 1.00 0.00 O ATOM 723 CB ARG A 51 -5.365 -1.372 -5.149 1.00 0.00 C ATOM 724 CG ARG A 51 -6.221 -2.577 -5.502 1.00 0.00 C ATOM 725 CD ARG A 51 -6.341 -2.753 -7.008 1.00 0.00 C ATOM 726 NE ARG A 51 -7.322 -3.774 -7.363 1.00 0.00 N ATOM 727 CZ ARG A 51 -8.629 -3.545 -7.430 1.00 0.00 C ATOM 728 NH1 ARG A 51 -9.108 -2.337 -7.167 1.00 0.00 N ATOM 729 NH2 ARG A 51 -9.460 -4.526 -7.760 1.00 0.00 N ATOM 0 H ARG A 51 -3.667 -2.013 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.794 -2.281 -6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.456 -1.173 -4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.752 -0.497 -5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.786 -3.475 -5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.214 -2.459 -5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.625 -1.804 -7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.369 -3.025 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.986 -4.714 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.473 -1.581 -6.913 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.112 -2.164 -7.219 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.095 -5.457 -7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.463 -4.349 -7.811 1.00 0.00 H new ATOM 743 N GLY A 52 -3.370 0.796 -5.135 1.00 0.00 N ATOM 744 CA GLY A 52 -2.849 2.101 -5.498 1.00 0.00 C ATOM 745 C GLY A 52 -1.495 2.017 -6.174 1.00 0.00 C ATOM 746 O GLY A 52 -1.259 2.674 -7.188 1.00 0.00 O ATOM 0 H GLY A 52 -3.772 0.740 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.554 2.598 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.767 2.718 -4.603 1.00 0.00 H new ATOM 750 N ARG A 53 -0.603 1.210 -5.610 1.00 0.00 N ATOM 751 CA ARG A 53 0.736 1.046 -6.163 1.00 0.00 C ATOM 752 C ARG A 53 0.672 0.541 -7.601 1.00 0.00 C ATOM 753 O ARG A 53 1.387 1.032 -8.475 1.00 0.00 O ATOM 754 CB ARG A 53 1.549 0.074 -5.305 1.00 0.00 C ATOM 755 CG ARG A 53 2.262 0.740 -4.140 1.00 0.00 C ATOM 756 CD ARG A 53 3.652 1.216 -4.536 1.00 0.00 C ATOM 757 NE ARG A 53 4.090 2.353 -3.732 1.00 0.00 N ATOM 758 CZ ARG A 53 3.773 3.613 -4.007 1.00 0.00 C ATOM 759 NH1 ARG A 53 3.018 3.895 -5.060 1.00 0.00 N ATOM 760 NH2 ARG A 53 4.210 4.594 -3.228 1.00 0.00 N ATOM 0 H ARG A 53 -0.783 0.659 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 53 1.226 2.020 -6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.885 -0.700 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.286 -0.424 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.673 1.587 -3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.339 0.038 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.362 0.397 -4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.653 1.495 -5.590 1.00 0.00 H new ATOM 0 HE ARG A 53 4.671 2.170 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.679 3.143 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.776 4.863 -5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.790 4.381 -2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.966 5.561 -3.440 1.00 0.00 H new ATOM 774 N LEU A 54 -0.188 -0.443 -7.840 1.00 0.00 N ATOM 775 CA LEU A 54 -0.346 -1.015 -9.172 1.00 0.00 C ATOM 776 C LEU A 54 -1.067 -0.043 -10.101 1.00 0.00 C ATOM 777 O LEU A 54 -0.526 0.368 -11.128 1.00 0.00 O ATOM 778 CB LEU A 54 -1.119 -2.333 -9.094 1.00 0.00 C ATOM 779 CG LEU A 54 -0.296 -3.575 -8.752 1.00 0.00 C ATOM 780 CD1 LEU A 54 -1.204 -4.712 -8.310 1.00 0.00 C ATOM 781 CD2 LEU A 54 0.551 -3.998 -9.943 1.00 0.00 C ATOM 0 H LEU A 54 -0.787 -0.861 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 54 0.647 -1.207 -9.578 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.906 -2.226 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.610 -2.500 -10.053 1.00 0.00 H new ATOM 0 HG LEU A 54 0.372 -3.329 -7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.600 -5.588 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.766 -4.407 -7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.897 -4.958 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.130 -4.884 -9.681 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.098 -4.226 -10.789 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.229 -3.188 -10.214 1.00 0.00 H new ATOM 793 N LEU A 55 -2.290 0.322 -9.731 1.00 0.00 N ATOM 794 CA LEU A 55 -3.085 1.249 -10.530 1.00 0.00 C ATOM 795 C LEU A 55 -2.198 2.300 -11.189 1.00 0.00 C ATOM 796 O LEU A 55 -2.488 2.770 -12.288 1.00 0.00 O ATOM 797 CB LEU A 55 -4.140 1.930 -9.657 1.00 0.00 C ATOM 798 CG LEU A 55 -5.108 1.000 -8.925 1.00 0.00 C ATOM 799 CD1 LEU A 55 -5.897 1.768 -7.876 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.049 0.326 -9.914 1.00 0.00 C ATOM 0 H LEU A 55 -2.752 -0.009 -8.884 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.584 0.679 -11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.628 2.545 -8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.721 2.605 -10.285 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.528 0.228 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.580 1.089 -7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.210 2.204 -7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.467 2.562 -8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.731 -0.332 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.622 1.085 -10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.469 -0.258 -10.628 1.00 0.00 H new ATOM 812 N GLU A 56 -1.114 2.663 -10.509 1.00 0.00 N ATOM 813 CA GLU A 56 -0.184 3.658 -11.030 1.00 0.00 C ATOM 814 C GLU A 56 0.481 3.162 -12.311 1.00 0.00 C ATOM 815 O GLU A 56 0.203 3.663 -13.401 1.00 0.00 O ATOM 816 CB GLU A 56 0.882 3.989 -9.984 1.00 0.00 C ATOM 817 CG GLU A 56 1.597 5.305 -10.239 1.00 0.00 C ATOM 818 CD GLU A 56 2.371 5.306 -11.542 1.00 0.00 C ATOM 819 OE1 GLU A 56 3.205 4.397 -11.737 1.00 0.00 O ATOM 820 OE2 GLU A 56 2.144 6.216 -12.367 1.00 0.00 O ATOM 0 H GLU A 56 -0.859 2.283 -9.597 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.749 4.561 -11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.415 4.024 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.617 3.185 -9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.867 6.114 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.281 5.508 -9.415 1.00 0.00 H new ATOM 827 N ARG A 57 1.361 2.176 -12.171 1.00 0.00 N ATOM 828 CA ARG A 57 2.067 1.614 -13.316 1.00 0.00 C ATOM 829 C ARG A 57 1.087 1.205 -14.412 1.00 0.00 C ATOM 830 O ARG A 57 1.283 1.525 -15.584 1.00 0.00 O ATOM 831 CB ARG A 57 2.900 0.406 -12.885 1.00 0.00 C ATOM 832 CG ARG A 57 2.131 -0.593 -12.036 1.00 0.00 C ATOM 833 CD ARG A 57 3.032 -1.713 -11.539 1.00 0.00 C ATOM 834 NE ARG A 57 3.679 -2.424 -12.638 1.00 0.00 N ATOM 835 CZ ARG A 57 4.818 -3.096 -12.509 1.00 0.00 C ATOM 836 NH1 ARG A 57 5.431 -3.149 -11.335 1.00 0.00 N ATOM 837 NH2 ARG A 57 5.344 -3.718 -13.557 1.00 0.00 N ATOM 0 H ARG A 57 1.602 1.750 -11.276 1.00 0.00 H new ATOM 0 HA ARG A 57 2.731 2.381 -13.714 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.277 -0.100 -13.774 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.767 0.755 -12.324 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.683 -0.080 -11.185 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.313 -1.015 -12.620 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.793 -1.299 -10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.444 -2.416 -10.949 1.00 0.00 H new ATOM 0 HE ARG A 57 3.232 -2.404 -13.555 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.028 -2.673 -10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.305 -3.666 -11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.874 -3.680 -14.461 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.218 -4.234 -13.458 1.00 0.00 H new ATOM 851 N ASN A 58 0.034 0.495 -14.022 1.00 0.00 N ATOM 852 CA ASN A 58 -0.976 0.041 -14.971 1.00 0.00 C ATOM 853 C ASN A 58 -1.568 1.219 -15.741 1.00 0.00 C ATOM 854 O ASN A 58 -1.734 1.157 -16.958 1.00 0.00 O ATOM 855 CB ASN A 58 -2.088 -0.716 -14.242 1.00 0.00 C ATOM 856 CG ASN A 58 -1.545 -1.743 -13.268 1.00 0.00 C ATOM 857 OD1 ASN A 58 -1.664 -1.587 -12.053 1.00 0.00 O ATOM 858 ND2 ASN A 58 -0.943 -2.802 -13.799 1.00 0.00 N ATOM 0 H ASN A 58 -0.142 0.221 -13.055 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.494 -0.630 -15.682 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.716 -0.005 -13.704 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.725 -1.214 -14.973 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.557 -3.526 -13.193 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.867 -2.891 -14.812 1.00 0.00 H new ATOM 865 N GLY A 59 -1.883 2.291 -15.020 1.00 0.00 N ATOM 866 CA GLY A 59 -2.452 3.467 -15.652 1.00 0.00 C ATOM 867 C GLY A 59 -3.968 3.457 -15.638 1.00 0.00 C ATOM 868 O GLY A 59 -4.606 3.873 -16.605 1.00 0.00 O ATOM 0 H GLY A 59 -1.754 2.366 -14.011 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.093 4.360 -15.141 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.102 3.527 -16.682 1.00 0.00 H new ATOM 872 N GLU A 60 -4.545 2.978 -14.541 1.00 0.00 N ATOM 873 CA GLU A 60 -5.996 2.913 -14.408 1.00 0.00 C ATOM 874 C GLU A 60 -6.521 4.089 -13.589 1.00 0.00 C ATOM 875 O GLU A 60 -5.759 4.768 -12.900 1.00 0.00 O ATOM 876 CB GLU A 60 -6.411 1.595 -13.752 1.00 0.00 C ATOM 877 CG GLU A 60 -6.386 0.408 -14.701 1.00 0.00 C ATOM 878 CD GLU A 60 -7.113 -0.800 -14.143 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.219 -0.625 -13.592 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.575 -1.921 -14.260 1.00 0.00 O ATOM 0 H GLU A 60 -4.031 2.629 -13.732 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.430 2.966 -15.407 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.747 1.392 -12.912 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.416 1.702 -13.344 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.841 0.696 -15.649 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.351 0.139 -14.913 1.00 0.00 H new ATOM 887 N ASP A 61 -7.826 4.323 -13.670 1.00 0.00 N ATOM 888 CA ASP A 61 -8.454 5.416 -12.937 1.00 0.00 C ATOM 889 C ASP A 61 -9.208 4.891 -11.720 1.00 0.00 C ATOM 890 O ASP A 61 -10.188 4.158 -11.853 1.00 0.00 O ATOM 891 CB ASP A 61 -9.407 6.189 -13.849 1.00 0.00 C ATOM 892 CG ASP A 61 -10.289 5.273 -14.675 1.00 0.00 C ATOM 893 OD1 ASP A 61 -9.798 4.734 -15.689 1.00 0.00 O ATOM 894 OD2 ASP A 61 -11.469 5.095 -14.308 1.00 0.00 O ATOM 0 H ASP A 61 -8.470 3.770 -14.236 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.668 6.089 -12.593 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.034 6.843 -13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.828 6.829 -14.515 1.00 0.00 H new ATOM 899 N TYR A 62 -8.744 5.270 -10.534 1.00 0.00 N ATOM 900 CA TYR A 62 -9.373 4.834 -9.293 1.00 0.00 C ATOM 901 C TYR A 62 -10.420 5.842 -8.829 1.00 0.00 C ATOM 902 O TYR A 62 -10.121 6.755 -8.058 1.00 0.00 O ATOM 903 CB TYR A 62 -8.318 4.641 -8.202 1.00 0.00 C ATOM 904 CG TYR A 62 -7.201 5.658 -8.254 1.00 0.00 C ATOM 905 CD1 TYR A 62 -6.156 5.527 -9.160 1.00 0.00 C ATOM 906 CD2 TYR A 62 -7.190 6.751 -7.396 1.00 0.00 C ATOM 907 CE1 TYR A 62 -5.133 6.454 -9.210 1.00 0.00 C ATOM 908 CE2 TYR A 62 -6.172 7.684 -7.440 1.00 0.00 C ATOM 909 CZ TYR A 62 -5.145 7.531 -8.348 1.00 0.00 C ATOM 910 OH TYR A 62 -4.129 8.457 -8.395 1.00 0.00 O ATOM 0 H TYR A 62 -7.935 5.878 -10.406 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.869 3.882 -9.483 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.802 4.695 -7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.893 3.641 -8.292 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.143 4.686 -9.837 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.991 6.873 -6.682 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.328 6.336 -9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.180 8.529 -6.767 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.778 8.511 -9.308 1.00 0.00 H new ATOM 920 N ILE A 63 -11.649 5.670 -9.305 1.00 0.00 N ATOM 921 CA ILE A 63 -12.741 6.563 -8.939 1.00 0.00 C ATOM 922 C ILE A 63 -13.167 6.345 -7.491 1.00 0.00 C ATOM 923 O ILE A 63 -13.992 5.479 -7.198 1.00 0.00 O ATOM 924 CB ILE A 63 -13.962 6.364 -9.856 1.00 0.00 C ATOM 925 CG1 ILE A 63 -13.591 6.671 -11.309 1.00 0.00 C ATOM 926 CG2 ILE A 63 -15.116 7.246 -9.402 1.00 0.00 C ATOM 927 CD1 ILE A 63 -13.023 8.059 -11.507 1.00 0.00 C ATOM 0 H ILE A 63 -11.913 4.921 -9.945 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.370 7.581 -9.057 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.279 5.323 -9.793 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.862 5.937 -11.652 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.477 6.557 -11.934 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.971 7.094 -10.060 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -15.393 6.985 -8.381 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.811 8.292 -9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.783 8.207 -12.560 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.758 8.801 -11.195 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.118 8.171 -10.909 1.00 0.00 H new ATOM 939 N CYS A 64 -12.601 7.138 -6.588 1.00 0.00 N ATOM 940 CA CYS A 64 -12.922 7.035 -5.169 1.00 0.00 C ATOM 941 C CYS A 64 -14.409 6.755 -4.967 1.00 0.00 C ATOM 942 O CYS A 64 -15.244 7.052 -5.822 1.00 0.00 O ATOM 943 CB CYS A 64 -12.531 8.322 -4.441 1.00 0.00 C ATOM 944 SG CYS A 64 -13.864 9.560 -4.351 1.00 0.00 S ATOM 0 H CYS A 64 -11.917 7.860 -6.814 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.353 6.203 -4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.213 8.072 -3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.672 8.765 -4.945 1.00 0.00 H new ATOM 0 HG CYS A 64 -14.071 10.061 -5.532 1.00 0.00 H new ATOM 949 N PRO A 65 -14.748 6.169 -3.809 1.00 0.00 N ATOM 950 CA PRO A 65 -16.134 5.836 -3.467 1.00 0.00 C ATOM 951 C PRO A 65 -16.979 7.078 -3.200 1.00 0.00 C ATOM 952 O PRO A 65 -18.045 7.253 -3.789 1.00 0.00 O ATOM 953 CB PRO A 65 -15.994 5.000 -2.192 1.00 0.00 C ATOM 954 CG PRO A 65 -14.705 5.441 -1.590 1.00 0.00 C ATOM 955 CD PRO A 65 -13.805 5.786 -2.745 1.00 0.00 C ATOM 0 HA PRO A 65 -16.641 5.316 -4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.828 5.172 -1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.982 3.934 -2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.853 6.303 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.269 4.651 -0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.127 6.602 -2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.188 4.938 -3.041 1.00 0.00 H new ATOM 963 N ASN A 66 -16.496 7.936 -2.308 1.00 0.00 N ATOM 964 CA ASN A 66 -17.207 9.161 -1.963 1.00 0.00 C ATOM 965 C ASN A 66 -17.772 9.832 -3.211 1.00 0.00 C ATOM 966 O ASN A 66 -18.785 10.530 -3.150 1.00 0.00 O ATOM 967 CB ASN A 66 -16.276 10.127 -1.228 1.00 0.00 C ATOM 968 CG ASN A 66 -17.029 11.261 -0.560 1.00 0.00 C ATOM 969 OD1 ASN A 66 -17.107 11.332 0.667 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.587 12.156 -1.366 1.00 0.00 N ATOM 0 H ASN A 66 -15.615 7.806 -1.811 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.036 8.897 -1.307 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.709 9.579 -0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.555 10.539 -1.933 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.106 12.942 -0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.497 12.058 -2.377 1.00 0.00 H new ATOM 977 N CYS A 67 -17.110 9.616 -4.343 1.00 0.00 N ATOM 978 CA CYS A 67 -17.545 10.199 -5.606 1.00 0.00 C ATOM 979 C CYS A 67 -18.781 9.482 -6.140 1.00 0.00 C ATOM 980 O CYS A 67 -19.864 10.063 -6.221 1.00 0.00 O ATOM 981 CB CYS A 67 -16.417 10.130 -6.638 1.00 0.00 C ATOM 982 SG CYS A 67 -15.319 11.584 -6.639 1.00 0.00 S ATOM 0 H CYS A 67 -16.270 9.041 -4.411 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.802 11.243 -5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.820 9.238 -6.449 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.853 10.017 -7.630 1.00 0.00 H new ATOM 0 HG CYS A 67 -15.961 12.612 -7.108 1.00 0.00 H new ATOM 987 N THR A 68 -18.613 8.214 -6.502 1.00 0.00 N ATOM 988 CA THR A 68 -19.714 7.417 -7.028 1.00 0.00 C ATOM 989 C THR A 68 -20.881 7.375 -6.047 1.00 0.00 C ATOM 990 O THR A 68 -22.036 7.555 -6.434 1.00 0.00 O ATOM 991 CB THR A 68 -19.267 5.975 -7.337 1.00 0.00 C ATOM 992 OG1 THR A 68 -18.237 5.985 -8.332 1.00 0.00 O ATOM 993 CG2 THR A 68 -20.440 5.137 -7.822 1.00 0.00 C ATOM 0 H THR A 68 -17.724 7.717 -6.440 1.00 0.00 H new ATOM 0 HA THR A 68 -20.036 7.896 -7.952 1.00 0.00 H new ATOM 0 HB THR A 68 -18.881 5.533 -6.419 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.957 5.065 -8.522 1.00 0.00 H new ATOM 0 HG21 THR A 68 -20.100 4.123 -8.034 1.00 0.00 H new ATOM 0 HG22 THR A 68 -21.210 5.108 -7.051 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.852 5.578 -8.729 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.571 7.138 -4.777 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.595 7.075 -3.741 1.00 0.00 C ATOM 1003 C ILE A 69 -22.657 8.148 -3.952 1.00 0.00 C ATOM 1004 O ILE A 69 -23.804 7.993 -3.531 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.985 7.241 -2.337 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.153 6.011 -1.969 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.081 7.473 -1.308 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.433 6.142 -0.645 1.00 0.00 C ATOM 0 H ILE A 69 -19.620 6.987 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 69 -22.058 6.091 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.329 8.111 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.805 5.139 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.420 5.830 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.634 7.588 -0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.635 8.376 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.760 6.621 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.864 5.233 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.755 6.994 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.161 6.293 0.152 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.269 9.236 -4.608 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.189 10.336 -4.878 1.00 0.00 C ATOM 1022 C LEU A 70 -23.964 10.093 -6.169 1.00 0.00 C ATOM 1023 O LEU A 70 -25.193 10.025 -6.163 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.423 11.656 -4.970 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.690 12.098 -3.703 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.585 13.086 -4.042 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.666 12.707 -2.707 1.00 0.00 C ATOM 0 H LEU A 70 -21.324 9.380 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.901 10.393 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.695 11.575 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.125 12.441 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.235 11.220 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.075 13.389 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.871 12.615 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.016 13.963 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.127 13.016 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.150 13.574 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.421 11.968 -2.439 1.00 0.00 H new