USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=15 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 152:sc= 0.475 USER MOD Set 1.2: A 36 CYS SG : rot -46:sc= -0.277 USER MOD Set 1.3: A 64 CYS SG : rot 170:sc= 0.574 USER MOD Set 1.4: A 67 CYS SG : rot 85:sc= -3.05 USER MOD Set 2.1: A 19 CYS SG : rot 169:sc= 0.323 USER MOD Set 2.2: A 21 CYS SG : rot -76:sc= -1.07 USER MOD Set 2.3: A 23 GLN : amide:sc= 0.0382 X(o=-10,f=-10) USER MOD Set 2.4: A 30 MET CE :methyl -154:sc= -8.51! (180deg=-6.57!) USER MOD Set 2.5: A 41 HIS : no HD1:sc= -0.766 K(o=-10,f=-11) USER MOD Set 2.6: A 44 CYS SG : rot 180:sc= -0.0109 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.117 F(o=-0.66,f=-0.12) USER MOD Single : A 26 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0401 K(o=-0.04,f=-2.6!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.297 F(o=-2.6!,f=-0.3) USER MOD Single : A 62 TYR OH : rot -164:sc= -3.56 USER MOD Single : A 66 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.33) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N ALA A 16 -5.562 21.941 7.629 1.00 0.00 N ATOM 185 CA ALA A 16 -5.145 20.997 6.600 1.00 0.00 C ATOM 186 C ALA A 16 -6.077 19.791 6.550 1.00 0.00 C ATOM 187 O ALA A 16 -6.054 18.939 7.438 1.00 0.00 O ATOM 188 CB ALA A 16 -3.711 20.549 6.844 1.00 0.00 C ATOM 0 HA ALA A 16 -5.197 21.503 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.413 19.844 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.050 21.415 6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.642 20.066 7.819 1.00 0.00 H new ATOM 194 N LEU A 17 -6.896 19.726 5.506 1.00 0.00 N ATOM 195 CA LEU A 17 -7.837 18.624 5.340 1.00 0.00 C ATOM 196 C LEU A 17 -7.836 18.118 3.901 1.00 0.00 C ATOM 197 O LEU A 17 -8.088 18.878 2.965 1.00 0.00 O ATOM 198 CB LEU A 17 -9.247 19.067 5.736 1.00 0.00 C ATOM 199 CG LEU A 17 -9.399 19.646 7.143 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.744 20.339 7.293 1.00 0.00 C ATOM 201 CD2 LEU A 17 -9.240 18.552 8.189 1.00 0.00 C ATOM 0 H LEU A 17 -6.927 20.423 4.762 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.522 17.809 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.586 19.814 5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.915 18.210 5.643 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.614 20.386 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.834 20.745 8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.819 21.149 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.545 19.621 7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.351 18.982 9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.003 17.789 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.252 18.101 8.097 1.00 0.00 H new ATOM 213 N TYR A 18 -7.552 16.832 3.732 1.00 0.00 N ATOM 214 CA TYR A 18 -7.518 16.225 2.407 1.00 0.00 C ATOM 215 C TYR A 18 -8.574 15.131 2.281 1.00 0.00 C ATOM 216 O TYR A 18 -9.489 15.225 1.462 1.00 0.00 O ATOM 217 CB TYR A 18 -6.131 15.645 2.124 1.00 0.00 C ATOM 218 CG TYR A 18 -5.109 16.686 1.726 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.332 17.529 0.645 1.00 0.00 C ATOM 220 CD2 TYR A 18 -3.920 16.826 2.432 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.401 18.481 0.277 1.00 0.00 C ATOM 222 CE2 TYR A 18 -2.984 17.776 2.072 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.229 18.601 0.994 1.00 0.00 C ATOM 224 OH TYR A 18 -2.299 19.548 0.632 1.00 0.00 O ATOM 0 H TYR A 18 -7.342 16.190 4.496 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.736 17.002 1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.777 15.122 3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.212 14.904 1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.249 17.439 0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.725 16.181 3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.590 19.128 -0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.065 17.872 2.632 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.532 19.502 1.240 1.00 0.00 H new ATOM 234 N CYS A 19 -8.441 14.092 3.100 1.00 0.00 N ATOM 235 CA CYS A 19 -9.382 12.979 3.083 1.00 0.00 C ATOM 236 C CYS A 19 -10.746 13.412 3.613 1.00 0.00 C ATOM 237 O CYS A 19 -10.887 14.494 4.183 1.00 0.00 O ATOM 238 CB CYS A 19 -8.844 11.816 3.918 1.00 0.00 C ATOM 239 SG CYS A 19 -9.672 10.225 3.599 1.00 0.00 S ATOM 0 H CYS A 19 -7.690 13.998 3.784 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.500 12.651 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.778 11.704 3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.949 12.062 4.975 1.00 0.00 H new ATOM 0 HG CYS A 19 -9.004 9.266 4.169 1.00 0.00 H new ATOM 244 N ILE A 20 -11.747 12.559 3.421 1.00 0.00 N ATOM 245 CA ILE A 20 -13.099 12.853 3.880 1.00 0.00 C ATOM 246 C ILE A 20 -13.192 12.774 5.400 1.00 0.00 C ATOM 247 O ILE A 20 -14.081 13.368 6.010 1.00 0.00 O ATOM 248 CB ILE A 20 -14.126 11.885 3.264 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.785 10.440 3.635 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.170 12.052 1.752 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.883 9.455 3.302 1.00 0.00 C ATOM 0 H ILE A 20 -11.647 11.659 2.951 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.329 13.868 3.556 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.111 12.121 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.874 10.145 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.573 10.388 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.900 11.361 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.455 13.075 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.186 11.839 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.572 8.451 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.790 9.725 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.080 9.478 2.230 1.00 0.00 H new ATOM 263 N CYS A 21 -12.266 12.038 6.007 1.00 0.00 N ATOM 264 CA CYS A 21 -12.242 11.882 7.456 1.00 0.00 C ATOM 265 C CYS A 21 -11.635 13.112 8.125 1.00 0.00 C ATOM 266 O CYS A 21 -11.347 13.101 9.322 1.00 0.00 O ATOM 267 CB CYS A 21 -11.447 10.633 7.842 1.00 0.00 C ATOM 268 SG CYS A 21 -9.713 10.654 7.285 1.00 0.00 S ATOM 0 H CYS A 21 -11.522 11.540 5.517 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.270 11.772 7.802 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.468 10.523 8.926 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.941 9.757 7.423 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.663 10.398 6.011 1.00 0.00 H new ATOM 273 N ARG A 22 -11.443 14.170 7.344 1.00 0.00 N ATOM 274 CA ARG A 22 -10.870 15.407 7.860 1.00 0.00 C ATOM 275 C ARG A 22 -9.561 15.134 8.596 1.00 0.00 C ATOM 276 O ARG A 22 -9.386 15.544 9.743 1.00 0.00 O ATOM 277 CB ARG A 22 -11.859 16.100 8.799 1.00 0.00 C ATOM 278 CG ARG A 22 -12.874 16.972 8.077 1.00 0.00 C ATOM 279 CD ARG A 22 -13.907 16.133 7.342 1.00 0.00 C ATOM 280 NE ARG A 22 -14.953 15.645 8.238 1.00 0.00 N ATOM 281 CZ ARG A 22 -16.064 15.052 7.815 1.00 0.00 C ATOM 282 NH1 ARG A 22 -16.272 14.873 6.518 1.00 0.00 N ATOM 283 NH2 ARG A 22 -16.970 14.636 8.691 1.00 0.00 N ATOM 0 H ARG A 22 -11.676 14.195 6.351 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.662 16.062 7.014 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.389 15.343 9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.304 16.714 9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.375 17.620 8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.359 17.620 7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.358 16.727 6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.414 15.286 6.865 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.823 15.766 9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.578 15.191 5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.126 14.417 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.814 14.772 9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.823 14.181 8.365 1.00 0.00 H new ATOM 297 N GLN A 23 -8.646 14.439 7.927 1.00 0.00 N ATOM 298 CA GLN A 23 -7.354 14.111 8.518 1.00 0.00 C ATOM 299 C GLN A 23 -6.216 14.445 7.560 1.00 0.00 C ATOM 300 O GLN A 23 -6.360 14.376 6.339 1.00 0.00 O ATOM 301 CB GLN A 23 -7.303 12.628 8.892 1.00 0.00 C ATOM 302 CG GLN A 23 -8.220 12.260 10.047 1.00 0.00 C ATOM 303 CD GLN A 23 -7.697 11.089 10.857 1.00 0.00 C ATOM 304 OE1 GLN A 23 -7.174 11.265 11.958 1.00 0.00 O ATOM 305 NE2 GLN A 23 -7.837 9.885 10.314 1.00 0.00 N ATOM 0 H GLN A 23 -8.776 14.093 6.976 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.233 14.711 9.420 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.574 12.032 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.279 12.363 9.154 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.340 13.124 10.700 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.208 12.015 9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.277 9.786 9.399 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.505 9.059 10.812 1.00 0.00 H new ATOM 314 N PRO A 24 -5.057 14.818 8.123 1.00 0.00 N ATOM 315 CA PRO A 24 -3.872 15.171 7.336 1.00 0.00 C ATOM 316 C PRO A 24 -3.257 13.961 6.640 1.00 0.00 C ATOM 317 O PRO A 24 -3.827 12.870 6.652 1.00 0.00 O ATOM 318 CB PRO A 24 -2.906 15.733 8.382 1.00 0.00 C ATOM 319 CG PRO A 24 -3.324 15.099 9.664 1.00 0.00 C ATOM 320 CD PRO A 24 -4.815 14.923 9.572 1.00 0.00 C ATOM 0 HA PRO A 24 -4.109 15.871 6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.872 15.488 8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.972 16.820 8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.826 14.140 9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.057 15.726 10.515 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.148 14.030 10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.347 15.768 10.008 1.00 0.00 H new ATOM 328 N HIS A 25 -2.092 14.163 6.033 1.00 0.00 N ATOM 329 CA HIS A 25 -1.399 13.087 5.332 1.00 0.00 C ATOM 330 C HIS A 25 0.012 12.901 5.882 1.00 0.00 C ATOM 331 O HIS A 25 0.927 13.646 5.534 1.00 0.00 O ATOM 332 CB HIS A 25 -1.340 13.382 3.833 1.00 0.00 C ATOM 333 CG HIS A 25 -0.441 12.455 3.075 1.00 0.00 C ATOM 334 ND1 HIS A 25 -0.383 11.103 3.049 1.00 0.00 N flip ATOM 335 CD2 HIS A 25 0.546 12.896 2.219 1.00 0.00 C flip ATOM 336 CE1 HIS A 25 0.627 10.755 2.186 1.00 0.00 C flip ATOM 337 NE2 HIS A 25 1.171 11.856 1.698 1.00 0.00 N flip ATOM 0 H HIS A 25 -1.608 15.061 6.012 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.957 12.164 5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.346 13.318 3.419 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.999 14.407 3.686 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.773 13.931 2.008 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.928 9.746 1.945 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.943 11.896 1.032 1.00 0.00 H new ATOM 346 N ASN A 26 0.179 11.902 6.742 1.00 0.00 N ATOM 347 CA ASN A 26 1.479 11.618 7.341 1.00 0.00 C ATOM 348 C ASN A 26 2.243 10.585 6.519 1.00 0.00 C ATOM 349 O ASN A 26 3.219 10.911 5.845 1.00 0.00 O ATOM 350 CB ASN A 26 1.304 11.117 8.776 1.00 0.00 C ATOM 351 CG ASN A 26 0.350 11.981 9.578 1.00 0.00 C ATOM 352 OD1 ASN A 26 0.768 12.904 10.276 1.00 0.00 O ATOM 353 ND2 ASN A 26 -0.941 11.684 9.480 1.00 0.00 N ATOM 0 H ASN A 26 -0.569 11.276 7.040 1.00 0.00 H new ATOM 0 HA ASN A 26 2.055 12.543 7.354 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.933 10.092 8.757 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.275 11.096 9.271 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.631 12.231 9.996 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.243 10.909 8.889 1.00 0.00 H new ATOM 360 N ASN A 27 1.791 9.336 6.580 1.00 0.00 N ATOM 361 CA ASN A 27 2.431 8.254 5.841 1.00 0.00 C ATOM 362 C ASN A 27 1.397 7.425 5.085 1.00 0.00 C ATOM 363 O ASN A 27 1.680 6.889 4.013 1.00 0.00 O ATOM 364 CB ASN A 27 3.223 7.357 6.794 1.00 0.00 C ATOM 365 CG ASN A 27 4.582 7.935 7.137 1.00 0.00 C ATOM 366 OD1 ASN A 27 4.693 9.095 7.536 1.00 0.00 O ATOM 367 ND2 ASN A 27 5.625 7.127 6.983 1.00 0.00 N ATOM 0 H ASN A 27 0.984 9.049 7.134 1.00 0.00 H new ATOM 0 HA ASN A 27 3.115 8.697 5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.651 7.211 7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.353 6.375 6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.565 7.460 7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.486 6.173 6.650 1.00 0.00 H new ATOM 374 N ARG A 28 0.199 7.325 5.650 1.00 0.00 N ATOM 375 CA ARG A 28 -0.877 6.561 5.031 1.00 0.00 C ATOM 376 C ARG A 28 -0.845 6.711 3.512 1.00 0.00 C ATOM 377 O ARG A 28 -0.606 7.800 2.990 1.00 0.00 O ATOM 378 CB ARG A 28 -2.233 7.019 5.571 1.00 0.00 C ATOM 379 CG ARG A 28 -2.357 6.904 7.081 1.00 0.00 C ATOM 380 CD ARG A 28 -3.292 7.962 7.645 1.00 0.00 C ATOM 381 NE ARG A 28 -3.892 7.544 8.910 1.00 0.00 N ATOM 382 CZ ARG A 28 -3.257 7.592 10.075 1.00 0.00 C ATOM 383 NH1 ARG A 28 -2.010 8.037 10.137 1.00 0.00 N ATOM 384 NH2 ARG A 28 -3.871 7.194 11.183 1.00 0.00 N ATOM 0 H ARG A 28 -0.051 7.764 6.536 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.732 5.510 5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.399 8.056 5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.020 6.426 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.728 5.913 7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.372 7.007 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.741 8.890 7.794 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.080 8.172 6.922 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.851 7.196 8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.535 8.344 9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.525 8.073 11.034 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.831 6.851 11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.383 7.231 12.078 1.00 0.00 H new ATOM 398 N PHE A 29 -1.087 5.610 2.809 1.00 0.00 N ATOM 399 CA PHE A 29 -1.085 5.618 1.351 1.00 0.00 C ATOM 400 C PHE A 29 -2.216 6.487 0.810 1.00 0.00 C ATOM 401 O PHE A 29 -3.372 6.336 1.204 1.00 0.00 O ATOM 402 CB PHE A 29 -1.220 4.192 0.812 1.00 0.00 C ATOM 403 CG PHE A 29 -1.379 4.128 -0.681 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.318 4.437 -1.517 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.589 3.761 -1.247 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.461 4.378 -2.891 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.737 3.701 -2.619 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.672 4.011 -3.443 1.00 0.00 C ATOM 0 H PHE A 29 -1.287 4.701 3.225 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.136 6.038 1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.339 3.618 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.080 3.714 1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.631 4.727 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.426 3.519 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.374 4.619 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.685 3.412 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.787 3.966 -4.516 1.00 0.00 H new ATOM 418 N MET A 30 -1.873 7.399 -0.094 1.00 0.00 N ATOM 419 CA MET A 30 -2.860 8.293 -0.690 1.00 0.00 C ATOM 420 C MET A 30 -2.859 8.168 -2.210 1.00 0.00 C ATOM 421 O MET A 30 -1.921 7.627 -2.797 1.00 0.00 O ATOM 422 CB MET A 30 -2.577 9.741 -0.285 1.00 0.00 C ATOM 423 CG MET A 30 -3.054 10.084 1.117 1.00 0.00 C ATOM 424 SD MET A 30 -3.425 11.838 1.314 1.00 0.00 S ATOM 425 CE MET A 30 -5.128 11.763 1.865 1.00 0.00 C ATOM 0 H MET A 30 -0.920 7.539 -0.430 1.00 0.00 H new ATOM 0 HA MET A 30 -3.844 8.006 -0.321 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.505 9.925 -0.350 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.059 10.410 -0.998 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.945 9.500 1.347 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.289 9.795 1.838 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.638 12.688 1.597 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.628 10.921 1.387 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.155 11.634 2.947 1.00 0.00 H new ATOM 435 N ILE A 31 -3.914 8.671 -2.841 1.00 0.00 N ATOM 436 CA ILE A 31 -4.033 8.616 -4.293 1.00 0.00 C ATOM 437 C ILE A 31 -4.802 9.819 -4.827 1.00 0.00 C ATOM 438 O ILE A 31 -5.520 10.490 -4.084 1.00 0.00 O ATOM 439 CB ILE A 31 -4.738 7.325 -4.751 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.238 7.407 -4.461 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.126 6.114 -4.063 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.585 7.189 -3.005 1.00 0.00 C ATOM 0 H ILE A 31 -4.699 9.121 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.020 8.629 -4.694 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.600 7.216 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.607 8.385 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.758 6.663 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.635 5.210 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.068 6.049 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.236 6.215 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.665 7.261 -2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.247 6.200 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.094 7.948 -2.396 1.00 0.00 H new ATOM 454 N CYS A 32 -4.649 10.086 -6.119 1.00 0.00 N ATOM 455 CA CYS A 32 -5.330 11.208 -6.755 1.00 0.00 C ATOM 456 C CYS A 32 -6.517 10.726 -7.582 1.00 0.00 C ATOM 457 O CYS A 32 -6.346 10.058 -8.603 1.00 0.00 O ATOM 458 CB CYS A 32 -4.357 11.986 -7.642 1.00 0.00 C ATOM 459 SG CYS A 32 -5.029 13.532 -8.296 1.00 0.00 S ATOM 0 H CYS A 32 -4.059 9.540 -6.747 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.701 11.867 -5.970 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.457 12.207 -7.068 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.056 11.352 -8.476 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.132 14.118 -9.032 1.00 0.00 H new ATOM 465 N CYS A 33 -7.721 11.067 -7.135 1.00 0.00 N ATOM 466 CA CYS A 33 -8.938 10.668 -7.832 1.00 0.00 C ATOM 467 C CYS A 33 -9.059 11.390 -9.171 1.00 0.00 C ATOM 468 O CYS A 33 -8.323 12.338 -9.447 1.00 0.00 O ATOM 469 CB CYS A 33 -10.165 10.963 -6.968 1.00 0.00 C ATOM 470 SG CYS A 33 -11.675 10.093 -7.500 1.00 0.00 S ATOM 0 H CYS A 33 -7.880 11.619 -6.292 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.884 9.596 -8.021 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.944 10.688 -5.937 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.354 12.036 -6.979 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.449 9.900 -6.474 1.00 0.00 H new ATOM 475 N ASP A 34 -9.993 10.935 -10.000 1.00 0.00 N ATOM 476 CA ASP A 34 -10.212 11.538 -11.309 1.00 0.00 C ATOM 477 C ASP A 34 -11.512 12.337 -11.329 1.00 0.00 C ATOM 478 O ASP A 34 -11.611 13.362 -12.004 1.00 0.00 O ATOM 479 CB ASP A 34 -10.247 10.458 -12.392 1.00 0.00 C ATOM 480 CG ASP A 34 -9.819 10.983 -13.748 1.00 0.00 C ATOM 481 OD1 ASP A 34 -8.684 11.493 -13.856 1.00 0.00 O ATOM 482 OD2 ASP A 34 -10.619 10.884 -14.702 1.00 0.00 O ATOM 0 H ASP A 34 -10.610 10.151 -9.788 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.385 12.218 -11.511 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.594 9.635 -12.102 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.256 10.053 -12.465 1.00 0.00 H new ATOM 487 N ARG A 35 -12.505 11.861 -10.585 1.00 0.00 N ATOM 488 CA ARG A 35 -13.798 12.530 -10.519 1.00 0.00 C ATOM 489 C ARG A 35 -13.711 13.800 -9.679 1.00 0.00 C ATOM 490 O ARG A 35 -13.954 14.902 -10.173 1.00 0.00 O ATOM 491 CB ARG A 35 -14.853 11.589 -9.933 1.00 0.00 C ATOM 492 CG ARG A 35 -15.579 10.760 -10.980 1.00 0.00 C ATOM 493 CD ARG A 35 -16.737 11.529 -11.596 1.00 0.00 C ATOM 494 NE ARG A 35 -16.312 12.336 -12.736 1.00 0.00 N ATOM 495 CZ ARG A 35 -16.969 13.410 -13.163 1.00 0.00 C ATOM 496 NH1 ARG A 35 -18.074 13.803 -12.545 1.00 0.00 N ATOM 497 NH2 ARG A 35 -16.520 14.092 -14.208 1.00 0.00 N ATOM 0 H ARG A 35 -12.439 11.015 -10.020 1.00 0.00 H new ATOM 0 HA ARG A 35 -14.089 12.805 -11.533 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.374 10.919 -9.220 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.583 12.177 -9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.879 10.466 -11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.952 9.842 -10.525 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.509 10.828 -11.915 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -17.186 12.175 -10.841 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.464 12.061 -13.232 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.421 13.281 -11.740 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.577 14.627 -12.874 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.670 13.793 -14.685 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.025 14.916 -14.535 1.00 0.00 H new ATOM 511 N CYS A 36 -13.363 13.639 -8.407 1.00 0.00 N ATOM 512 CA CYS A 36 -13.245 14.772 -7.497 1.00 0.00 C ATOM 513 C CYS A 36 -11.811 15.295 -7.463 1.00 0.00 C ATOM 514 O CYS A 36 -11.575 16.469 -7.179 1.00 0.00 O ATOM 515 CB CYS A 36 -13.686 14.370 -6.088 1.00 0.00 C ATOM 516 SG CYS A 36 -12.674 13.054 -5.339 1.00 0.00 S ATOM 0 H CYS A 36 -13.158 12.734 -7.983 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.895 15.567 -7.861 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.654 15.249 -5.444 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.724 14.039 -6.124 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.489 12.103 -6.205 1.00 0.00 H new ATOM 521 N GLU A 37 -10.859 14.414 -7.754 1.00 0.00 N ATOM 522 CA GLU A 37 -9.449 14.787 -7.756 1.00 0.00 C ATOM 523 C GLU A 37 -9.008 15.254 -6.372 1.00 0.00 C ATOM 524 O GLU A 37 -8.416 16.323 -6.226 1.00 0.00 O ATOM 525 CB GLU A 37 -9.192 15.891 -8.785 1.00 0.00 C ATOM 526 CG GLU A 37 -9.600 15.512 -10.199 1.00 0.00 C ATOM 527 CD GLU A 37 -9.502 16.676 -11.165 1.00 0.00 C ATOM 528 OE1 GLU A 37 -10.490 17.431 -11.285 1.00 0.00 O ATOM 529 OE2 GLU A 37 -8.439 16.832 -11.802 1.00 0.00 O ATOM 0 H GLU A 37 -11.038 13.438 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.867 13.906 -8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.736 16.788 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.132 16.144 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.966 14.698 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.623 15.137 -10.190 1.00 0.00 H new ATOM 536 N GLU A 38 -9.301 14.444 -5.360 1.00 0.00 N ATOM 537 CA GLU A 38 -8.936 14.774 -3.987 1.00 0.00 C ATOM 538 C GLU A 38 -7.929 13.769 -3.435 1.00 0.00 C ATOM 539 O GLU A 38 -7.573 12.800 -4.105 1.00 0.00 O ATOM 540 CB GLU A 38 -10.181 14.807 -3.098 1.00 0.00 C ATOM 541 CG GLU A 38 -10.883 16.155 -3.085 1.00 0.00 C ATOM 542 CD GLU A 38 -9.944 17.300 -2.760 1.00 0.00 C ATOM 543 OE1 GLU A 38 -9.008 17.090 -1.960 1.00 0.00 O ATOM 544 OE2 GLU A 38 -10.144 18.405 -3.306 1.00 0.00 O ATOM 0 H GLU A 38 -9.790 13.555 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.474 15.761 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.882 14.045 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.897 14.545 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.341 16.331 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.690 16.133 -2.352 1.00 0.00 H new ATOM 551 N TRP A 39 -7.476 14.008 -2.210 1.00 0.00 N ATOM 552 CA TRP A 39 -6.510 13.124 -1.567 1.00 0.00 C ATOM 553 C TRP A 39 -7.147 12.381 -0.397 1.00 0.00 C ATOM 554 O TRP A 39 -7.480 12.981 0.625 1.00 0.00 O ATOM 555 CB TRP A 39 -5.300 13.923 -1.081 1.00 0.00 C ATOM 556 CG TRP A 39 -4.371 14.324 -2.187 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.087 15.595 -2.598 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.606 13.449 -3.023 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.191 15.563 -3.640 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.880 14.259 -3.918 1.00 0.00 C ATOM 561 CE3 TRP A 39 -3.462 12.062 -3.100 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -2.025 13.724 -4.879 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.613 11.532 -4.054 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.903 12.362 -4.933 1.00 0.00 C ATOM 0 H TRP A 39 -7.761 14.806 -1.642 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.180 12.391 -2.303 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.648 14.818 -0.566 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.750 13.329 -0.352 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.505 16.493 -2.168 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.818 16.378 -4.127 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.004 11.415 -2.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.478 14.362 -5.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.495 10.461 -4.123 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.247 11.918 -5.667 1.00 0.00 H new ATOM 575 N PHE A 40 -7.312 11.072 -0.553 1.00 0.00 N ATOM 576 CA PHE A 40 -7.910 10.247 0.490 1.00 0.00 C ATOM 577 C PHE A 40 -6.957 9.134 0.916 1.00 0.00 C ATOM 578 O PHE A 40 -5.865 8.991 0.365 1.00 0.00 O ATOM 579 CB PHE A 40 -9.229 9.645 0.002 1.00 0.00 C ATOM 580 CG PHE A 40 -10.142 10.648 -0.644 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.916 11.498 0.129 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.227 10.739 -2.024 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.757 12.422 -0.462 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.066 11.661 -2.621 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.833 12.503 -1.839 1.00 0.00 C ATOM 0 H PHE A 40 -7.040 10.559 -1.392 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.107 10.883 1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.014 8.849 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.745 9.187 0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.862 11.438 1.206 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.631 10.082 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.354 13.080 0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.122 11.723 -3.698 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.491 13.223 -2.303 1.00 0.00 H new ATOM 595 N HIS A 41 -7.378 8.347 1.902 1.00 0.00 N ATOM 596 CA HIS A 41 -6.563 7.246 2.402 1.00 0.00 C ATOM 597 C HIS A 41 -7.052 5.912 1.847 1.00 0.00 C ATOM 598 O HIS A 41 -8.230 5.574 1.962 1.00 0.00 O ATOM 599 CB HIS A 41 -6.591 7.217 3.931 1.00 0.00 C ATOM 600 CG HIS A 41 -6.178 8.510 4.562 1.00 0.00 C ATOM 601 ND1 HIS A 41 -6.882 9.106 5.587 1.00 0.00 N ATOM 602 CD2 HIS A 41 -5.125 9.322 4.310 1.00 0.00 C ATOM 603 CE1 HIS A 41 -6.281 10.230 5.936 1.00 0.00 C ATOM 604 NE2 HIS A 41 -5.212 10.383 5.177 1.00 0.00 N ATOM 0 H HIS A 41 -8.278 8.452 2.370 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.538 7.404 2.067 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.598 6.966 4.263 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.932 6.423 4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.359 9.165 3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.609 10.908 6.710 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.557 11.163 5.227 1.00 0.00 H new ATOM 612 N GLY A 42 -6.139 5.156 1.243 1.00 0.00 N ATOM 613 CA GLY A 42 -6.498 3.869 0.679 1.00 0.00 C ATOM 614 C GLY A 42 -7.564 3.157 1.488 1.00 0.00 C ATOM 615 O GLY A 42 -8.680 2.952 1.011 1.00 0.00 O ATOM 0 H GLY A 42 -5.158 5.413 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.855 4.010 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.609 3.240 0.622 1.00 0.00 H new ATOM 619 N ASP A 43 -7.219 2.778 2.713 1.00 0.00 N ATOM 620 CA ASP A 43 -8.155 2.084 3.591 1.00 0.00 C ATOM 621 C ASP A 43 -9.501 2.803 3.627 1.00 0.00 C ATOM 622 O ASP A 43 -10.546 2.198 3.388 1.00 0.00 O ATOM 623 CB ASP A 43 -7.581 1.980 5.004 1.00 0.00 C ATOM 624 CG ASP A 43 -8.174 0.824 5.786 1.00 0.00 C ATOM 625 OD1 ASP A 43 -8.303 -0.277 5.211 1.00 0.00 O ATOM 626 OD2 ASP A 43 -8.510 1.021 6.973 1.00 0.00 O ATOM 0 H ASP A 43 -6.298 2.939 3.121 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.310 1.080 3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.499 1.859 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.769 2.911 5.539 1.00 0.00 H new ATOM 631 N CYS A 44 -9.467 4.097 3.928 1.00 0.00 N ATOM 632 CA CYS A 44 -10.682 4.898 3.997 1.00 0.00 C ATOM 633 C CYS A 44 -11.551 4.677 2.763 1.00 0.00 C ATOM 634 O CYS A 44 -12.712 4.281 2.870 1.00 0.00 O ATOM 635 CB CYS A 44 -10.333 6.382 4.129 1.00 0.00 C ATOM 636 SG CYS A 44 -10.070 6.934 5.845 1.00 0.00 S ATOM 0 H CYS A 44 -8.610 4.613 4.128 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.244 4.584 4.876 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.431 6.585 3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.135 6.974 3.687 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.778 8.201 5.853 1.00 0.00 H new ATOM 641 N VAL A 45 -10.981 4.935 1.590 1.00 0.00 N ATOM 642 CA VAL A 45 -11.702 4.763 0.335 1.00 0.00 C ATOM 643 C VAL A 45 -11.669 3.309 -0.123 1.00 0.00 C ATOM 644 O VAL A 45 -11.884 3.012 -1.297 1.00 0.00 O ATOM 645 CB VAL A 45 -11.113 5.652 -0.777 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.322 7.123 -0.450 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.637 5.346 -0.978 1.00 0.00 C ATOM 0 H VAL A 45 -10.021 5.264 1.483 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.734 5.060 0.520 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.635 5.434 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.900 7.736 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.389 7.328 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.827 7.360 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.238 5.983 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.097 5.535 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.517 4.300 -1.261 1.00 0.00 H new ATOM 657 N GLY A 46 -11.400 2.405 0.815 1.00 0.00 N ATOM 658 CA GLY A 46 -11.345 0.992 0.489 1.00 0.00 C ATOM 659 C GLY A 46 -10.035 0.598 -0.164 1.00 0.00 C ATOM 660 O GLY A 46 -9.398 -0.374 0.244 1.00 0.00 O ATOM 0 H GLY A 46 -11.219 2.626 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.485 0.407 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.170 0.744 -0.179 1.00 0.00 H new ATOM 664 N ILE A 47 -9.631 1.353 -1.180 1.00 0.00 N ATOM 665 CA ILE A 47 -8.389 1.076 -1.891 1.00 0.00 C ATOM 666 C ILE A 47 -7.314 0.563 -0.939 1.00 0.00 C ATOM 667 O ILE A 47 -7.287 0.926 0.237 1.00 0.00 O ATOM 668 CB ILE A 47 -7.862 2.331 -2.613 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.889 2.827 -3.633 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.534 2.032 -3.292 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.091 1.882 -4.796 1.00 0.00 C ATOM 0 H ILE A 47 -10.146 2.161 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.613 0.308 -2.631 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.701 3.117 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.844 2.980 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.571 3.797 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.174 2.928 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.805 1.720 -2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.670 1.233 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.832 2.298 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.147 1.748 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.440 0.918 -4.425 1.00 0.00 H new ATOM 683 N SER A 48 -6.429 -0.283 -1.455 1.00 0.00 N ATOM 684 CA SER A 48 -5.352 -0.849 -0.651 1.00 0.00 C ATOM 685 C SER A 48 -3.996 -0.597 -1.304 1.00 0.00 C ATOM 686 O SER A 48 -3.905 -0.408 -2.516 1.00 0.00 O ATOM 687 CB SER A 48 -5.566 -2.351 -0.458 1.00 0.00 C ATOM 688 OG SER A 48 -4.966 -2.802 0.744 1.00 0.00 O ATOM 0 H SER A 48 -6.436 -0.592 -2.427 1.00 0.00 H new ATOM 0 HA SER A 48 -5.364 -0.359 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.634 -2.570 -0.439 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.144 -2.893 -1.304 1.00 0.00 H new ATOM 0 HG SER A 48 -5.119 -3.765 0.845 1.00 0.00 H new ATOM 694 N GLU A 49 -2.946 -0.595 -0.489 1.00 0.00 N ATOM 695 CA GLU A 49 -1.594 -0.365 -0.987 1.00 0.00 C ATOM 696 C GLU A 49 -1.326 -1.198 -2.237 1.00 0.00 C ATOM 697 O GLU A 49 -0.759 -0.708 -3.213 1.00 0.00 O ATOM 698 CB GLU A 49 -0.565 -0.701 0.094 1.00 0.00 C ATOM 699 CG GLU A 49 0.750 0.044 -0.065 1.00 0.00 C ATOM 700 CD GLU A 49 1.901 -0.647 0.639 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.831 -0.807 1.876 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.872 -1.030 -0.047 1.00 0.00 O ATOM 0 H GLU A 49 -3.005 -0.750 0.517 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.505 0.689 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.988 -0.469 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.370 -1.773 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.983 0.140 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.641 1.054 0.330 1.00 0.00 H new ATOM 709 N ALA A 50 -1.737 -2.461 -2.199 1.00 0.00 N ATOM 710 CA ALA A 50 -1.543 -3.363 -3.327 1.00 0.00 C ATOM 711 C ALA A 50 -2.297 -2.871 -4.558 1.00 0.00 C ATOM 712 O ALA A 50 -1.805 -2.975 -5.682 1.00 0.00 O ATOM 713 CB ALA A 50 -1.988 -4.771 -2.961 1.00 0.00 C ATOM 0 H ALA A 50 -2.207 -2.883 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.480 -3.382 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.837 -5.433 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.402 -5.129 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.044 -4.760 -2.692 1.00 0.00 H new ATOM 719 N ARG A 51 -3.494 -2.337 -4.339 1.00 0.00 N ATOM 720 CA ARG A 51 -4.317 -1.831 -5.431 1.00 0.00 C ATOM 721 C ARG A 51 -3.743 -0.532 -5.988 1.00 0.00 C ATOM 722 O ARG A 51 -3.397 -0.449 -7.166 1.00 0.00 O ATOM 723 CB ARG A 51 -5.752 -1.603 -4.953 1.00 0.00 C ATOM 724 CG ARG A 51 -6.675 -2.784 -5.211 1.00 0.00 C ATOM 725 CD ARG A 51 -6.967 -2.949 -6.694 1.00 0.00 C ATOM 726 NE ARG A 51 -7.989 -2.014 -7.158 1.00 0.00 N ATOM 727 CZ ARG A 51 -8.583 -2.103 -8.343 1.00 0.00 C ATOM 728 NH1 ARG A 51 -8.258 -3.079 -9.179 1.00 0.00 N ATOM 729 NH2 ARG A 51 -9.503 -1.214 -8.693 1.00 0.00 N ATOM 0 H ARG A 51 -3.916 -2.244 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.320 -2.577 -6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.740 -1.389 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.156 -0.721 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.218 -3.695 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.610 -2.642 -4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.050 -2.796 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.295 -3.970 -6.887 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.261 -1.251 -6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.550 -3.764 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.716 -3.145 -10.088 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.755 -0.461 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.959 -1.283 -9.603 1.00 0.00 H new ATOM 743 N GLY A 52 -3.644 0.481 -5.132 1.00 0.00 N ATOM 744 CA GLY A 52 -3.112 1.762 -5.557 1.00 0.00 C ATOM 745 C GLY A 52 -1.759 1.634 -6.229 1.00 0.00 C ATOM 746 O GLY A 52 -1.479 2.321 -7.211 1.00 0.00 O ATOM 0 H GLY A 52 -3.923 0.437 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.813 2.233 -6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.024 2.420 -4.693 1.00 0.00 H new ATOM 750 N ARG A 53 -0.918 0.753 -5.698 1.00 0.00 N ATOM 751 CA ARG A 53 0.414 0.539 -6.252 1.00 0.00 C ATOM 752 C ARG A 53 0.346 0.298 -7.756 1.00 0.00 C ATOM 753 O ARG A 53 1.046 0.948 -8.533 1.00 0.00 O ATOM 754 CB ARG A 53 1.091 -0.648 -5.564 1.00 0.00 C ATOM 755 CG ARG A 53 1.903 -0.260 -4.339 1.00 0.00 C ATOM 756 CD ARG A 53 3.270 0.284 -4.726 1.00 0.00 C ATOM 757 NE ARG A 53 3.819 1.165 -3.699 1.00 0.00 N ATOM 758 CZ ARG A 53 4.679 2.144 -3.954 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.086 2.367 -5.196 1.00 0.00 N ATOM 760 NH2 ARG A 53 5.134 2.904 -2.965 1.00 0.00 N ATOM 0 H ARG A 53 -1.135 0.176 -4.885 1.00 0.00 H new ATOM 0 HA ARG A 53 1.003 1.439 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.329 -1.370 -5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.744 -1.147 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.361 0.491 -3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.026 -1.129 -3.692 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.956 -0.546 -4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.190 0.829 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 53 3.526 1.020 -2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.738 1.786 -5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.747 3.120 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.823 2.736 -2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.795 3.656 -3.162 1.00 0.00 H new ATOM 774 N LEU A 54 -0.502 -0.642 -8.161 1.00 0.00 N ATOM 775 CA LEU A 54 -0.662 -0.971 -9.573 1.00 0.00 C ATOM 776 C LEU A 54 -1.391 0.146 -10.313 1.00 0.00 C ATOM 777 O LEU A 54 -0.888 0.683 -11.301 1.00 0.00 O ATOM 778 CB LEU A 54 -1.429 -2.285 -9.727 1.00 0.00 C ATOM 779 CG LEU A 54 -0.688 -3.550 -9.291 1.00 0.00 C ATOM 780 CD1 LEU A 54 -1.638 -4.736 -9.246 1.00 0.00 C ATOM 781 CD2 LEU A 54 0.479 -3.834 -10.226 1.00 0.00 C ATOM 0 H LEU A 54 -1.089 -1.189 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 54 0.331 -1.084 -10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.353 -2.213 -9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.712 -2.397 -10.774 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.293 -3.389 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.093 -5.627 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.440 -4.533 -8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.063 -4.899 -10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.995 -4.737 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.106 -3.974 -11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.173 -2.994 -10.207 1.00 0.00 H new ATOM 793 N LEU A 55 -2.579 0.493 -9.829 1.00 0.00 N ATOM 794 CA LEU A 55 -3.377 1.548 -10.442 1.00 0.00 C ATOM 795 C LEU A 55 -2.491 2.695 -10.918 1.00 0.00 C ATOM 796 O LEU A 55 -2.824 3.393 -11.875 1.00 0.00 O ATOM 797 CB LEU A 55 -4.418 2.070 -9.450 1.00 0.00 C ATOM 798 CG LEU A 55 -5.462 1.058 -8.978 1.00 0.00 C ATOM 799 CD1 LEU A 55 -6.317 1.652 -7.869 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.333 0.609 -10.143 1.00 0.00 C ATOM 0 H LEU A 55 -3.011 0.058 -9.013 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.889 1.126 -11.307 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.895 2.457 -8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.938 2.911 -9.909 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.942 0.186 -8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.055 0.918 -7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.682 1.924 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.828 2.540 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.071 -0.111 -9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.844 1.472 -10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.709 0.144 -10.906 1.00 0.00 H new ATOM 812 N GLU A 56 -1.361 2.881 -10.243 1.00 0.00 N ATOM 813 CA GLU A 56 -0.426 3.943 -10.599 1.00 0.00 C ATOM 814 C GLU A 56 0.440 3.530 -11.785 1.00 0.00 C ATOM 815 O GLU A 56 0.284 4.048 -12.891 1.00 0.00 O ATOM 816 CB GLU A 56 0.462 4.293 -9.403 1.00 0.00 C ATOM 817 CG GLU A 56 -0.102 5.401 -8.530 1.00 0.00 C ATOM 818 CD GLU A 56 -0.252 6.712 -9.276 1.00 0.00 C ATOM 819 OE1 GLU A 56 -1.251 6.868 -10.009 1.00 0.00 O ATOM 820 OE2 GLU A 56 0.630 7.583 -9.127 1.00 0.00 O ATOM 0 H GLU A 56 -1.071 2.312 -9.448 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.005 4.822 -10.882 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.606 3.400 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.445 4.593 -9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.074 5.094 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.551 5.549 -7.670 1.00 0.00 H new ATOM 827 N ARG A 57 1.354 2.595 -11.547 1.00 0.00 N ATOM 828 CA ARG A 57 2.246 2.114 -12.594 1.00 0.00 C ATOM 829 C ARG A 57 1.456 1.681 -13.825 1.00 0.00 C ATOM 830 O ARG A 57 1.724 2.133 -14.938 1.00 0.00 O ATOM 831 CB ARG A 57 3.089 0.946 -12.079 1.00 0.00 C ATOM 832 CG ARG A 57 2.270 -0.152 -11.419 1.00 0.00 C ATOM 833 CD ARG A 57 3.152 -1.106 -10.629 1.00 0.00 C ATOM 834 NE ARG A 57 3.851 -0.430 -9.540 1.00 0.00 N ATOM 835 CZ ARG A 57 5.041 0.145 -9.675 1.00 0.00 C ATOM 836 NH1 ARG A 57 5.661 0.126 -10.847 1.00 0.00 N ATOM 837 NH2 ARG A 57 5.613 0.740 -8.636 1.00 0.00 N ATOM 0 H ARG A 57 1.496 2.156 -10.638 1.00 0.00 H new ATOM 0 HA ARG A 57 2.907 2.933 -12.877 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.650 0.519 -12.911 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.819 1.324 -11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.529 0.294 -10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.723 -0.707 -12.181 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.541 -1.912 -10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.880 -1.564 -11.298 1.00 0.00 H new ATOM 0 HE ARG A 57 3.401 -0.397 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.224 -0.331 -11.648 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.575 0.568 -10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.139 0.756 -7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.527 1.181 -8.740 1.00 0.00 H new ATOM 851 N ASN A 58 0.481 0.801 -13.617 1.00 0.00 N ATOM 852 CA ASN A 58 -0.347 0.306 -14.710 1.00 0.00 C ATOM 853 C ASN A 58 -1.002 1.460 -15.463 1.00 0.00 C ATOM 854 O ASN A 58 -0.979 1.505 -16.692 1.00 0.00 O ATOM 855 CB ASN A 58 -1.422 -0.642 -14.174 1.00 0.00 C ATOM 856 CG ASN A 58 -0.912 -2.061 -14.011 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.185 -2.308 -12.928 1.00 0.00 O flip ATOM 858 ND2 ASN A 58 -1.170 -2.925 -14.850 1.00 0.00 N flip ATOM 0 H ASN A 58 0.246 0.417 -12.702 1.00 0.00 H new ATOM 0 HA ASN A 58 0.296 -0.238 -15.402 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.780 -0.275 -13.212 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.275 -0.641 -14.853 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.733 -2.690 -15.668 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.821 -3.875 -14.727 1.00 0.00 H new ATOM 865 N GLY A 59 -1.585 2.392 -14.715 1.00 0.00 N ATOM 866 CA GLY A 59 -2.237 3.535 -15.329 1.00 0.00 C ATOM 867 C GLY A 59 -3.744 3.381 -15.385 1.00 0.00 C ATOM 868 O GLY A 59 -4.365 3.670 -16.406 1.00 0.00 O ATOM 0 H GLY A 59 -1.618 2.376 -13.696 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.987 4.436 -14.769 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.851 3.670 -16.339 1.00 0.00 H new ATOM 872 N GLU A 60 -4.331 2.923 -14.284 1.00 0.00 N ATOM 873 CA GLU A 60 -5.775 2.729 -14.214 1.00 0.00 C ATOM 874 C GLU A 60 -6.452 3.920 -13.540 1.00 0.00 C ATOM 875 O GLU A 60 -5.970 4.430 -12.528 1.00 0.00 O ATOM 876 CB GLU A 60 -6.103 1.444 -13.451 1.00 0.00 C ATOM 877 CG GLU A 60 -5.673 0.180 -14.176 1.00 0.00 C ATOM 878 CD GLU A 60 -6.496 -1.030 -13.779 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.660 -1.127 -14.221 1.00 0.00 O ATOM 880 OE2 GLU A 60 -5.976 -1.879 -13.025 1.00 0.00 O ATOM 0 H GLU A 60 -3.830 2.680 -13.429 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.154 2.645 -15.232 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.618 1.476 -12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.177 1.402 -13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.759 0.336 -15.251 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.622 -0.015 -13.965 1.00 0.00 H new ATOM 887 N ASP A 61 -7.569 4.357 -14.109 1.00 0.00 N ATOM 888 CA ASP A 61 -8.313 5.487 -13.564 1.00 0.00 C ATOM 889 C ASP A 61 -9.076 5.080 -12.307 1.00 0.00 C ATOM 890 O ASP A 61 -10.116 4.425 -12.385 1.00 0.00 O ATOM 891 CB ASP A 61 -9.285 6.037 -14.610 1.00 0.00 C ATOM 892 CG ASP A 61 -8.676 6.084 -15.997 1.00 0.00 C ATOM 893 OD1 ASP A 61 -7.631 6.747 -16.165 1.00 0.00 O ATOM 894 OD2 ASP A 61 -9.245 5.458 -16.917 1.00 0.00 O ATOM 0 H ASP A 61 -7.980 3.946 -14.947 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.599 6.266 -13.297 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.181 5.417 -14.631 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.598 7.040 -14.319 1.00 0.00 H new ATOM 899 N TYR A 62 -8.553 5.471 -11.151 1.00 0.00 N ATOM 900 CA TYR A 62 -9.182 5.144 -9.877 1.00 0.00 C ATOM 901 C TYR A 62 -10.332 6.101 -9.576 1.00 0.00 C ATOM 902 O TYR A 62 -10.166 7.320 -9.617 1.00 0.00 O ATOM 903 CB TYR A 62 -8.153 5.195 -8.747 1.00 0.00 C ATOM 904 CG TYR A 62 -8.768 5.332 -7.373 1.00 0.00 C ATOM 905 CD1 TYR A 62 -9.599 4.344 -6.861 1.00 0.00 C ATOM 906 CD2 TYR A 62 -8.518 6.451 -6.587 1.00 0.00 C ATOM 907 CE1 TYR A 62 -10.164 4.465 -5.606 1.00 0.00 C ATOM 908 CE2 TYR A 62 -9.078 6.580 -5.331 1.00 0.00 C ATOM 909 CZ TYR A 62 -9.900 5.585 -4.845 1.00 0.00 C ATOM 910 OH TYR A 62 -10.461 5.710 -3.594 1.00 0.00 O ATOM 0 H TYR A 62 -7.694 6.015 -11.070 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.583 4.133 -9.948 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -7.549 4.288 -8.776 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.478 6.034 -8.919 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.807 3.466 -7.454 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.875 7.232 -6.965 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.808 3.688 -5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.873 7.455 -4.733 1.00 0.00 H new ATOM 0 HH TYR A 62 -10.393 6.641 -3.296 1.00 0.00 H new ATOM 920 N ILE A 63 -11.497 5.539 -9.274 1.00 0.00 N ATOM 921 CA ILE A 63 -12.674 6.341 -8.964 1.00 0.00 C ATOM 922 C ILE A 63 -13.115 6.134 -7.519 1.00 0.00 C ATOM 923 O ILE A 63 -13.955 5.281 -7.230 1.00 0.00 O ATOM 924 CB ILE A 63 -13.849 6.002 -9.901 1.00 0.00 C ATOM 925 CG1 ILE A 63 -13.452 6.240 -11.359 1.00 0.00 C ATOM 926 CG2 ILE A 63 -15.072 6.829 -9.537 1.00 0.00 C ATOM 927 CD1 ILE A 63 -13.171 7.692 -11.679 1.00 0.00 C ATOM 0 H ILE A 63 -11.651 4.531 -9.237 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.393 7.384 -9.110 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.099 4.948 -9.780 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.566 5.648 -11.587 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.251 5.881 -12.008 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.894 6.578 -10.208 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -15.364 6.614 -8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.836 7.889 -9.633 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.896 7.786 -12.729 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.063 8.287 -11.483 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.352 8.050 -11.056 1.00 0.00 H new ATOM 939 N CYS A 64 -12.545 6.922 -6.614 1.00 0.00 N ATOM 940 CA CYS A 64 -12.879 6.828 -5.198 1.00 0.00 C ATOM 941 C CYS A 64 -14.373 6.584 -5.007 1.00 0.00 C ATOM 942 O CYS A 64 -15.191 6.873 -5.880 1.00 0.00 O ATOM 943 CB CYS A 64 -12.463 8.107 -4.468 1.00 0.00 C ATOM 944 SG CYS A 64 -13.785 9.353 -4.339 1.00 0.00 S ATOM 0 H CYS A 64 -11.849 7.634 -6.836 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.333 5.983 -4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.125 7.846 -3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.612 8.548 -4.987 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.412 10.300 -3.530 1.00 0.00 H new ATOM 949 N PRO A 65 -14.738 6.038 -3.837 1.00 0.00 N ATOM 950 CA PRO A 65 -16.135 5.743 -3.503 1.00 0.00 C ATOM 951 C PRO A 65 -16.957 7.007 -3.282 1.00 0.00 C ATOM 952 O PRO A 65 -18.012 7.187 -3.889 1.00 0.00 O ATOM 953 CB PRO A 65 -16.027 4.940 -2.204 1.00 0.00 C ATOM 954 CG PRO A 65 -14.736 5.372 -1.598 1.00 0.00 C ATOM 955 CD PRO A 65 -13.816 5.667 -2.751 1.00 0.00 C ATOM 0 HA PRO A 65 -16.643 5.211 -4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.866 5.148 -1.539 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.033 3.868 -2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.874 6.254 -0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.324 4.591 -0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.125 6.477 -2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.212 4.799 -3.016 1.00 0.00 H new ATOM 963 N ASN A 66 -16.468 7.881 -2.408 1.00 0.00 N ATOM 964 CA ASN A 66 -17.158 9.130 -2.107 1.00 0.00 C ATOM 965 C ASN A 66 -17.739 9.750 -3.374 1.00 0.00 C ATOM 966 O ASN A 66 -18.759 10.438 -3.331 1.00 0.00 O ATOM 967 CB ASN A 66 -16.202 10.116 -1.435 1.00 0.00 C ATOM 968 CG ASN A 66 -16.927 11.120 -0.559 1.00 0.00 C ATOM 969 OD1 ASN A 66 -16.887 12.324 -0.811 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.596 10.626 0.477 1.00 0.00 N ATOM 0 H ASN A 66 -15.596 7.747 -1.896 1.00 0.00 H new ATOM 0 HA ASN A 66 -17.978 8.907 -1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.482 9.565 -0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.636 10.648 -2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.104 11.252 1.102 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.602 9.620 0.648 1.00 0.00 H new ATOM 977 N CYS A 67 -17.082 9.501 -4.502 1.00 0.00 N ATOM 978 CA CYS A 67 -17.532 10.033 -5.783 1.00 0.00 C ATOM 979 C CYS A 67 -18.728 9.246 -6.310 1.00 0.00 C ATOM 980 O CYS A 67 -19.776 9.816 -6.615 1.00 0.00 O ATOM 981 CB CYS A 67 -16.392 9.996 -6.803 1.00 0.00 C ATOM 982 SG CYS A 67 -15.358 11.495 -6.819 1.00 0.00 S ATOM 0 H CYS A 67 -16.236 8.934 -4.555 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.840 11.067 -5.630 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.759 9.134 -6.593 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.813 9.848 -7.797 1.00 0.00 H new ATOM 0 HG CYS A 67 -14.441 11.399 -5.903 1.00 0.00 H new ATOM 987 N THR A 68 -18.564 7.931 -6.415 1.00 0.00 N ATOM 988 CA THR A 68 -19.628 7.064 -6.905 1.00 0.00 C ATOM 989 C THR A 68 -20.782 6.994 -5.911 1.00 0.00 C ATOM 990 O THR A 68 -21.908 7.380 -6.225 1.00 0.00 O ATOM 991 CB THR A 68 -19.112 5.639 -7.177 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.869 5.695 -7.887 1.00 0.00 O ATOM 993 CG2 THR A 68 -20.125 4.840 -7.982 1.00 0.00 C ATOM 0 H THR A 68 -17.703 7.443 -6.167 1.00 0.00 H new ATOM 0 HA THR A 68 -19.983 7.498 -7.840 1.00 0.00 H new ATOM 0 HB THR A 68 -18.961 5.143 -6.218 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.547 4.785 -8.055 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.738 3.837 -8.161 1.00 0.00 H new ATOM 0 HG22 THR A 68 -21.060 4.774 -7.426 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.304 5.336 -8.936 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.494 6.499 -4.712 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.508 6.380 -3.672 1.00 0.00 C ATOM 1003 C ILE A 69 -22.380 7.630 -3.609 1.00 0.00 C ATOM 1004 O ILE A 69 -23.587 7.547 -3.378 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.872 6.142 -2.290 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.352 4.707 -2.184 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -21.879 6.429 -1.186 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.262 4.384 -3.181 1.00 0.00 C ATOM 0 H ILE A 69 -19.567 6.174 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 69 -22.126 5.521 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.030 6.824 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.972 4.540 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -21.183 4.016 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.414 6.256 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.206 7.467 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.740 5.770 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.942 3.351 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -19.643 4.518 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.414 5.050 -3.022 1.00 0.00 H new ATOM 1020 N LEU A 70 -21.762 8.787 -3.818 1.00 0.00 N ATOM 1021 CA LEU A 70 -22.482 10.055 -3.787 1.00 0.00 C ATOM 1022 C LEU A 70 -23.188 10.313 -5.114 1.00 0.00 C ATOM 1023 O LEU A 70 -24.417 10.327 -5.182 1.00 0.00 O ATOM 1024 CB LEU A 70 -21.519 11.203 -3.477 1.00 0.00 C ATOM 1025 CG LEU A 70 -20.907 11.206 -2.076 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -19.877 12.317 -1.946 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -21.993 11.357 -1.020 1.00 0.00 C ATOM 0 H LEU A 70 -20.764 8.873 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.235 9.998 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -20.709 11.178 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -22.049 12.144 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 70 -20.404 10.252 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -19.452 12.304 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.084 12.165 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -20.356 13.280 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -21.539 11.357 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -22.524 12.296 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -22.694 10.526 -1.098 1.00 0.00 H new