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 149:sc= 0.646 USER MOD Set 1.2: A 36 CYS SG : rot -39:sc= -2.04 USER MOD Set 1.3: A 64 CYS SG : rot 170:sc= 0.655 USER MOD Set 1.4: A 67 CYS SG : rot 89:sc= -3.04 USER MOD Set 2.1: A 19 CYS SG : rot 25:sc= 0.568 USER MOD Set 2.2: A 21 CYS SG : rot -77:sc= -0.397 USER MOD Set 2.3: A 41 HIS :FLIP no HD1:sc= -0.079 F(o=-0.59,f=0.092) USER MOD Set 2.4: A 44 CYS SG : rot -169:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.92) USER MOD Single : A 25 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.4!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.35) USER MOD Single : A 30 MET CE :methyl -122:sc= -0.423 (180deg=-2.06!) 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= -0.0708 F(o=-1.2,f=-0.071) USER MOD Single : A 62 TYR OH : rot 97:sc= 0.0469 USER MOD Single : A 66 ASN : amide:sc=-0.00334 X(o=-0.0033,f=-0.0033) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N ALA A 16 -5.063 22.093 7.780 1.00 0.00 N ATOM 185 CA ALA A 16 -5.215 21.549 6.437 1.00 0.00 C ATOM 186 C ALA A 16 -6.015 20.251 6.457 1.00 0.00 C ATOM 187 O ALA A 16 -5.956 19.488 7.422 1.00 0.00 O ATOM 188 CB ALA A 16 -3.851 21.320 5.803 1.00 0.00 C ATOM 0 HA ALA A 16 -5.765 22.275 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.980 20.913 4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.313 22.266 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.281 20.616 6.410 1.00 0.00 H new ATOM 194 N LEU A 17 -6.765 20.007 5.387 1.00 0.00 N ATOM 195 CA LEU A 17 -7.578 18.801 5.282 1.00 0.00 C ATOM 196 C LEU A 17 -7.549 18.246 3.862 1.00 0.00 C ATOM 197 O LEU A 17 -7.679 18.992 2.891 1.00 0.00 O ATOM 198 CB LEU A 17 -9.021 19.098 5.697 1.00 0.00 C ATOM 199 CG LEU A 17 -9.207 19.721 7.081 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.680 19.981 7.355 1.00 0.00 C ATOM 201 CD2 LEU A 17 -8.614 18.821 8.155 1.00 0.00 C ATOM 0 H LEU A 17 -6.826 20.629 4.581 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.160 18.051 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.460 19.767 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.587 18.167 5.661 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.680 20.675 7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.793 20.424 8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.075 20.665 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.229 19.040 7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.755 19.280 9.133 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.112 17.852 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.549 18.685 7.969 1.00 0.00 H new ATOM 213 N TYR A 18 -7.380 16.934 3.748 1.00 0.00 N ATOM 214 CA TYR A 18 -7.334 16.279 2.447 1.00 0.00 C ATOM 215 C TYR A 18 -8.394 15.185 2.349 1.00 0.00 C ATOM 216 O TYR A 18 -9.300 15.255 1.519 1.00 0.00 O ATOM 217 CB TYR A 18 -5.947 15.683 2.201 1.00 0.00 C ATOM 218 CG TYR A 18 -4.922 16.701 1.751 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.121 17.454 0.601 1.00 0.00 C ATOM 220 CD2 TYR A 18 -3.756 16.908 2.477 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.187 18.384 0.186 1.00 0.00 C ATOM 222 CE2 TYR A 18 -2.818 17.837 2.071 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.037 18.572 0.925 1.00 0.00 C ATOM 224 OH TYR A 18 -2.106 19.498 0.515 1.00 0.00 O ATOM 0 H TYR A 18 -7.272 16.303 4.542 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.541 17.030 1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.597 15.208 3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.025 14.901 1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.021 17.310 0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.580 16.333 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.356 18.960 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.918 17.987 2.648 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.356 19.509 1.145 1.00 0.00 H new ATOM 234 N CYS A 19 -8.273 14.175 3.204 1.00 0.00 N ATOM 235 CA CYS A 19 -9.218 13.066 3.217 1.00 0.00 C ATOM 236 C CYS A 19 -10.572 13.511 3.763 1.00 0.00 C ATOM 237 O CYS A 19 -10.686 14.572 4.377 1.00 0.00 O ATOM 238 CB CYS A 19 -8.671 11.911 4.058 1.00 0.00 C ATOM 239 SG CYS A 19 -9.632 10.370 3.921 1.00 0.00 S ATOM 0 H CYS A 19 -7.529 14.102 3.898 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.354 12.726 2.190 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.642 11.713 3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.644 12.218 5.104 1.00 0.00 H new ATOM 0 HG CYS A 19 -10.264 10.352 2.785 1.00 0.00 H new ATOM 244 N ILE A 20 -11.593 12.692 3.537 1.00 0.00 N ATOM 245 CA ILE A 20 -12.938 13.000 4.008 1.00 0.00 C ATOM 246 C ILE A 20 -13.017 12.930 5.529 1.00 0.00 C ATOM 247 O ILE A 20 -13.862 13.577 6.148 1.00 0.00 O ATOM 248 CB ILE A 20 -13.979 12.039 3.405 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.543 10.586 3.610 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.180 12.334 1.926 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.638 9.581 3.329 1.00 0.00 C ATOM 0 H ILE A 20 -11.515 11.810 3.031 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.162 14.016 3.682 1.00 0.00 H new ATOM 0 HB ILE A 20 -14.929 12.189 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.693 10.375 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.200 10.460 4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.919 11.646 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.531 13.359 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.235 12.209 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.258 8.573 3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.481 9.765 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.966 9.680 2.294 1.00 0.00 H new ATOM 263 N CYS A 21 -12.130 12.141 6.126 1.00 0.00 N ATOM 264 CA CYS A 21 -12.098 11.986 7.575 1.00 0.00 C ATOM 265 C CYS A 21 -11.506 13.225 8.242 1.00 0.00 C ATOM 266 O CYS A 21 -11.323 13.260 9.459 1.00 0.00 O ATOM 267 CB CYS A 21 -11.283 10.749 7.959 1.00 0.00 C ATOM 268 SG CYS A 21 -9.545 10.805 7.416 1.00 0.00 S ATOM 0 H CYS A 21 -11.424 11.599 5.628 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.123 11.861 7.924 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.310 10.631 9.042 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.758 9.867 7.530 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.479 10.544 6.144 1.00 0.00 H new ATOM 273 N ARG A 22 -11.209 14.239 7.435 1.00 0.00 N ATOM 274 CA ARG A 22 -10.638 15.479 7.946 1.00 0.00 C ATOM 275 C ARG A 22 -9.301 15.218 8.635 1.00 0.00 C ATOM 276 O ARG A 22 -9.092 15.625 9.778 1.00 0.00 O ATOM 277 CB ARG A 22 -11.606 16.147 8.924 1.00 0.00 C ATOM 278 CG ARG A 22 -12.622 17.055 8.250 1.00 0.00 C ATOM 279 CD ARG A 22 -13.565 16.268 7.355 1.00 0.00 C ATOM 280 NE ARG A 22 -14.860 16.927 7.210 1.00 0.00 N ATOM 281 CZ ARG A 22 -15.105 17.878 6.315 1.00 0.00 C ATOM 282 NH1 ARG A 22 -14.148 18.278 5.490 1.00 0.00 N ATOM 283 NH2 ARG A 22 -16.309 18.430 6.245 1.00 0.00 N ATOM 0 H ARG A 22 -11.354 14.226 6.426 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.468 16.147 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.135 15.375 9.483 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.035 16.729 9.647 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.197 17.586 9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.102 17.809 7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.111 16.141 6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.710 15.271 7.770 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.618 16.642 7.830 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.221 17.856 5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.339 19.008 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.048 18.125 6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.496 19.160 5.558 1.00 0.00 H new ATOM 297 N GLN A 23 -8.402 14.538 7.932 1.00 0.00 N ATOM 298 CA GLN A 23 -7.087 14.223 8.477 1.00 0.00 C ATOM 299 C GLN A 23 -5.987 14.567 7.478 1.00 0.00 C ATOM 300 O GLN A 23 -6.193 14.563 6.265 1.00 0.00 O ATOM 301 CB GLN A 23 -7.008 12.741 8.850 1.00 0.00 C ATOM 302 CG GLN A 23 -8.007 12.329 9.920 1.00 0.00 C ATOM 303 CD GLN A 23 -7.457 12.486 11.323 1.00 0.00 C ATOM 304 OE1 GLN A 23 -6.283 12.213 11.577 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.304 12.928 12.246 1.00 0.00 N ATOM 0 H GLN A 23 -8.560 14.195 6.985 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.939 14.825 9.374 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.177 12.140 7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.000 12.516 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.911 12.930 9.819 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.296 11.290 9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.268 13.142 11.992 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.990 13.053 13.208 1.00 0.00 H new ATOM 314 N PRO A 24 -4.788 14.871 7.998 1.00 0.00 N ATOM 315 CA PRO A 24 -3.632 15.223 7.169 1.00 0.00 C ATOM 316 C PRO A 24 -3.097 14.030 6.384 1.00 0.00 C ATOM 317 O PRO A 24 -3.698 12.956 6.383 1.00 0.00 O ATOM 318 CB PRO A 24 -2.595 15.700 8.190 1.00 0.00 C ATOM 319 CG PRO A 24 -2.972 15.016 9.459 1.00 0.00 C ATOM 320 CD PRO A 24 -4.470 14.895 9.436 1.00 0.00 C ATOM 0 HA PRO A 24 -3.883 15.970 6.416 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.584 15.434 7.882 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.619 16.784 8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.502 14.035 9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.640 15.589 10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.808 13.988 9.937 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.949 15.735 9.940 1.00 0.00 H new ATOM 328 N HIS A 25 -1.964 14.227 5.718 1.00 0.00 N ATOM 329 CA HIS A 25 -1.347 13.166 4.929 1.00 0.00 C ATOM 330 C HIS A 25 -0.296 12.422 5.747 1.00 0.00 C ATOM 331 O HIS A 25 0.795 12.937 5.989 1.00 0.00 O ATOM 332 CB HIS A 25 -0.711 13.745 3.665 1.00 0.00 C ATOM 333 CG HIS A 25 0.474 12.967 3.181 1.00 0.00 C ATOM 334 ND1 HIS A 25 1.764 13.227 3.592 1.00 0.00 N ATOM 335 CD2 HIS A 25 0.558 11.930 2.315 1.00 0.00 C ATOM 336 CE1 HIS A 25 2.591 12.384 2.999 1.00 0.00 C ATOM 337 NE2 HIS A 25 1.884 11.586 2.219 1.00 0.00 N ATOM 0 H HIS A 25 -1.455 15.111 5.709 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.126 12.460 4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.460 13.780 2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.406 14.773 3.860 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.265 11.461 1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.663 12.353 3.130 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.262 10.836 1.640 1.00 0.00 H new ATOM 346 N ASN A 26 -0.633 11.208 6.171 1.00 0.00 N ATOM 347 CA ASN A 26 0.282 10.394 6.963 1.00 0.00 C ATOM 348 C ASN A 26 0.957 9.335 6.097 1.00 0.00 C ATOM 349 O ASN A 26 0.602 9.152 4.933 1.00 0.00 O ATOM 350 CB ASN A 26 -0.468 9.723 8.116 1.00 0.00 C ATOM 351 CG ASN A 26 -1.249 10.717 8.954 1.00 0.00 C ATOM 352 OD1 ASN A 26 -0.675 11.626 9.554 1.00 0.00 O ATOM 353 ND2 ASN A 26 -2.565 10.547 8.998 1.00 0.00 N ATOM 0 H ASN A 26 -1.532 10.767 5.979 1.00 0.00 H new ATOM 0 HA ASN A 26 1.052 11.049 7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.151 8.974 7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.244 9.197 8.751 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.144 11.184 9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.997 9.779 8.484 1.00 0.00 H new ATOM 360 N ASN A 27 1.933 8.641 6.673 1.00 0.00 N ATOM 361 CA ASN A 27 2.658 7.600 5.954 1.00 0.00 C ATOM 362 C ASN A 27 1.705 6.747 5.123 1.00 0.00 C ATOM 363 O ASN A 27 1.981 6.439 3.964 1.00 0.00 O ATOM 364 CB ASN A 27 3.429 6.715 6.936 1.00 0.00 C ATOM 365 CG ASN A 27 4.007 7.504 8.095 1.00 0.00 C ATOM 366 OD1 ASN A 27 4.899 8.333 7.912 1.00 0.00 O ATOM 367 ND2 ASN A 27 3.500 7.249 9.295 1.00 0.00 N ATOM 0 H ASN A 27 2.240 8.781 7.636 1.00 0.00 H new ATOM 0 HA ASN A 27 3.365 8.084 5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.765 5.941 7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.236 6.208 6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.849 7.749 10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.761 6.553 9.399 1.00 0.00 H new ATOM 374 N ARG A 28 0.581 6.369 5.725 1.00 0.00 N ATOM 375 CA ARG A 28 -0.414 5.551 5.041 1.00 0.00 C ATOM 376 C ARG A 28 -0.480 5.903 3.558 1.00 0.00 C ATOM 377 O ARG A 28 -0.233 7.044 3.168 1.00 0.00 O ATOM 378 CB ARG A 28 -1.789 5.740 5.683 1.00 0.00 C ATOM 379 CG ARG A 28 -1.830 5.365 7.156 1.00 0.00 C ATOM 380 CD ARG A 28 -3.020 5.999 7.859 1.00 0.00 C ATOM 381 NE ARG A 28 -4.229 5.190 7.727 1.00 0.00 N ATOM 382 CZ ARG A 28 -5.457 5.675 7.875 1.00 0.00 C ATOM 383 NH1 ARG A 28 -5.638 6.957 8.158 1.00 0.00 N ATOM 384 NH2 ARG A 28 -6.508 4.875 7.739 1.00 0.00 N ATOM 0 H ARG A 28 0.337 6.616 6.684 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.117 4.507 5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.092 6.781 5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.519 5.137 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.883 4.281 7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.907 5.685 7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.787 6.133 8.915 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.200 6.991 7.444 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.125 4.199 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.833 7.575 8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.582 7.326 8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.373 3.888 7.521 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.451 5.248 7.853 1.00 0.00 H new ATOM 398 N PHE A 29 -0.815 4.914 2.735 1.00 0.00 N ATOM 399 CA PHE A 29 -0.913 5.118 1.295 1.00 0.00 C ATOM 400 C PHE A 29 -2.104 6.008 0.951 1.00 0.00 C ATOM 401 O PHE A 29 -3.118 6.002 1.648 1.00 0.00 O ATOM 402 CB PHE A 29 -1.041 3.774 0.575 1.00 0.00 C ATOM 403 CG PHE A 29 -1.380 3.904 -0.882 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.392 4.167 -1.817 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.688 3.764 -1.318 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.701 4.287 -3.159 1.00 0.00 C ATOM 407 CE2 PHE A 29 -3.003 3.883 -2.658 1.00 0.00 C ATOM 408 CZ PHE A 29 -2.009 4.146 -3.580 1.00 0.00 C ATOM 0 H PHE A 29 -1.023 3.964 3.041 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.002 5.615 0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.103 3.227 0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.810 3.179 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.632 4.280 -1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.470 3.559 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.079 4.491 -3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.026 3.770 -2.984 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.254 4.241 -4.628 1.00 0.00 H new ATOM 418 N MET A 30 -1.973 6.771 -0.129 1.00 0.00 N ATOM 419 CA MET A 30 -3.038 7.666 -0.566 1.00 0.00 C ATOM 420 C MET A 30 -2.994 7.866 -2.077 1.00 0.00 C ATOM 421 O MET A 30 -1.958 7.660 -2.710 1.00 0.00 O ATOM 422 CB MET A 30 -2.922 9.017 0.143 1.00 0.00 C ATOM 423 CG MET A 30 -3.159 8.939 1.642 1.00 0.00 C ATOM 424 SD MET A 30 -2.659 10.442 2.503 1.00 0.00 S ATOM 425 CE MET A 30 -3.938 11.578 1.973 1.00 0.00 C ATOM 0 H MET A 30 -1.140 6.787 -0.718 1.00 0.00 H new ATOM 0 HA MET A 30 -3.992 7.208 -0.306 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.929 9.429 -0.039 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.640 9.710 -0.294 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.216 8.752 1.830 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.608 8.091 2.049 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.481 12.434 1.477 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.609 11.072 1.279 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.503 11.920 2.840 1.00 0.00 H new ATOM 435 N ILE A 31 -4.124 8.268 -2.650 1.00 0.00 N ATOM 436 CA ILE A 31 -4.213 8.496 -4.087 1.00 0.00 C ATOM 437 C ILE A 31 -4.954 9.793 -4.392 1.00 0.00 C ATOM 438 O ILE A 31 -5.722 10.291 -3.568 1.00 0.00 O ATOM 439 CB ILE A 31 -4.925 7.331 -4.799 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.395 7.271 -4.380 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.226 6.015 -4.489 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.593 7.063 -2.895 1.00 0.00 C ATOM 0 H ILE A 31 -4.990 8.442 -2.141 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.191 8.568 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.880 7.500 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.887 8.197 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.886 6.461 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.741 5.201 -4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.192 6.062 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.244 5.838 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.659 7.031 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.130 6.123 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.132 7.885 -2.348 1.00 0.00 H new ATOM 454 N CYS A 32 -4.721 10.335 -5.582 1.00 0.00 N ATOM 455 CA CYS A 32 -5.367 11.575 -5.998 1.00 0.00 C ATOM 456 C CYS A 32 -6.527 11.291 -6.947 1.00 0.00 C ATOM 457 O CYS A 32 -6.346 11.221 -8.163 1.00 0.00 O ATOM 458 CB CYS A 32 -4.355 12.501 -6.674 1.00 0.00 C ATOM 459 SG CYS A 32 -4.985 14.161 -7.012 1.00 0.00 S ATOM 0 H CYS A 32 -4.089 9.935 -6.276 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.760 12.067 -5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.472 12.581 -6.040 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.034 12.048 -7.612 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.056 14.870 -7.582 1.00 0.00 H new ATOM 465 N CYS A 33 -7.719 11.126 -6.384 1.00 0.00 N ATOM 466 CA CYS A 33 -8.909 10.848 -7.178 1.00 0.00 C ATOM 467 C CYS A 33 -8.916 11.679 -8.458 1.00 0.00 C ATOM 468 O CYS A 33 -8.212 12.684 -8.561 1.00 0.00 O ATOM 469 CB CYS A 33 -10.172 11.136 -6.363 1.00 0.00 C ATOM 470 SG CYS A 33 -11.707 10.526 -7.129 1.00 0.00 S ATOM 0 H CYS A 33 -7.886 11.180 -5.379 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.894 9.793 -7.451 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.066 10.684 -5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.257 12.212 -6.212 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.554 10.196 -6.200 1.00 0.00 H new ATOM 475 N ASP A 34 -9.716 11.253 -9.429 1.00 0.00 N ATOM 476 CA ASP A 34 -9.816 11.958 -10.701 1.00 0.00 C ATOM 477 C ASP A 34 -11.112 12.760 -10.778 1.00 0.00 C ATOM 478 O ASP A 34 -11.211 13.728 -11.533 1.00 0.00 O ATOM 479 CB ASP A 34 -9.746 10.968 -11.865 1.00 0.00 C ATOM 480 CG ASP A 34 -9.942 11.639 -13.210 1.00 0.00 C ATOM 481 OD1 ASP A 34 -9.288 12.674 -13.458 1.00 0.00 O ATOM 482 OD2 ASP A 34 -10.749 11.129 -14.015 1.00 0.00 O ATOM 0 H ASP A 34 -10.305 10.423 -9.359 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.976 12.650 -10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.780 10.464 -11.851 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.508 10.200 -11.731 1.00 0.00 H new ATOM 487 N ARG A 35 -12.103 12.351 -9.992 1.00 0.00 N ATOM 488 CA ARG A 35 -13.392 13.030 -9.973 1.00 0.00 C ATOM 489 C ARG A 35 -13.327 14.297 -9.125 1.00 0.00 C ATOM 490 O ARG A 35 -13.386 15.410 -9.648 1.00 0.00 O ATOM 491 CB ARG A 35 -14.476 12.096 -9.431 1.00 0.00 C ATOM 492 CG ARG A 35 -15.091 11.196 -10.491 1.00 0.00 C ATOM 493 CD ARG A 35 -16.248 11.881 -11.200 1.00 0.00 C ATOM 494 NE ARG A 35 -16.398 11.418 -12.577 1.00 0.00 N ATOM 495 CZ ARG A 35 -17.038 10.303 -12.912 1.00 0.00 C ATOM 496 NH1 ARG A 35 -17.586 9.542 -11.974 1.00 0.00 N ATOM 497 NH2 ARG A 35 -17.132 9.947 -14.187 1.00 0.00 N ATOM 0 H ARG A 35 -12.037 11.553 -9.360 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.642 13.311 -10.996 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.048 11.476 -8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.264 12.694 -8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.330 10.918 -11.220 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.441 10.274 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.171 11.693 -10.652 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.088 12.959 -11.196 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.989 11.982 -13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.517 9.812 -10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.077 8.686 -12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.713 10.530 -14.911 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.624 9.091 -14.442 1.00 0.00 H new ATOM 511 N CYS A 36 -13.206 14.119 -7.814 1.00 0.00 N ATOM 512 CA CYS A 36 -13.134 15.247 -6.892 1.00 0.00 C ATOM 513 C CYS A 36 -11.715 15.802 -6.822 1.00 0.00 C ATOM 514 O CYS A 36 -11.490 16.895 -6.303 1.00 0.00 O ATOM 515 CB CYS A 36 -13.597 14.822 -5.497 1.00 0.00 C ATOM 516 SG CYS A 36 -12.695 13.393 -4.817 1.00 0.00 S ATOM 0 H CYS A 36 -13.156 13.204 -7.366 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.794 16.031 -7.263 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.485 15.666 -4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.660 14.582 -5.536 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.478 12.527 -5.762 1.00 0.00 H new ATOM 521 N GLU A 37 -10.761 15.041 -7.350 1.00 0.00 N ATOM 522 CA GLU A 37 -9.363 15.457 -7.346 1.00 0.00 C ATOM 523 C GLU A 37 -8.885 15.745 -5.926 1.00 0.00 C ATOM 524 O GLU A 37 -8.273 16.780 -5.665 1.00 0.00 O ATOM 525 CB GLU A 37 -9.175 16.699 -8.221 1.00 0.00 C ATOM 526 CG GLU A 37 -9.745 16.548 -9.621 1.00 0.00 C ATOM 527 CD GLU A 37 -9.570 17.800 -10.460 1.00 0.00 C ATOM 528 OE1 GLU A 37 -8.439 18.051 -10.924 1.00 0.00 O ATOM 529 OE2 GLU A 37 -10.567 18.528 -10.652 1.00 0.00 O ATOM 0 H GLU A 37 -10.930 14.134 -7.785 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.766 14.641 -7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.649 17.551 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.111 16.925 -8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.258 15.710 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.806 16.306 -9.553 1.00 0.00 H new ATOM 536 N GLU A 38 -9.168 14.821 -5.014 1.00 0.00 N ATOM 537 CA GLU A 38 -8.768 14.976 -3.620 1.00 0.00 C ATOM 538 C GLU A 38 -7.858 13.831 -3.184 1.00 0.00 C ATOM 539 O GLU A 38 -7.652 12.871 -3.927 1.00 0.00 O ATOM 540 CB GLU A 38 -10.001 15.035 -2.716 1.00 0.00 C ATOM 541 CG GLU A 38 -10.528 16.443 -2.496 1.00 0.00 C ATOM 542 CD GLU A 38 -11.313 16.577 -1.205 1.00 0.00 C ATOM 543 OE1 GLU A 38 -12.388 15.951 -1.097 1.00 0.00 O ATOM 544 OE2 GLU A 38 -10.852 17.308 -0.303 1.00 0.00 O ATOM 0 H GLU A 38 -9.672 13.958 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.215 15.911 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.791 14.425 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.755 14.593 -1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.692 17.142 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.165 16.724 -3.335 1.00 0.00 H new ATOM 551 N TRP A 39 -7.317 13.941 -1.977 1.00 0.00 N ATOM 552 CA TRP A 39 -6.429 12.915 -1.441 1.00 0.00 C ATOM 553 C TRP A 39 -7.081 12.187 -0.271 1.00 0.00 C ATOM 554 O TRP A 39 -7.348 12.783 0.772 1.00 0.00 O ATOM 555 CB TRP A 39 -5.105 13.539 -0.996 1.00 0.00 C ATOM 556 CG TRP A 39 -4.192 13.871 -2.137 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.058 15.081 -2.755 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.286 12.979 -2.797 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.124 14.996 -3.760 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.635 13.717 -3.805 1.00 0.00 C ATOM 561 CE3 TRP A 39 -2.960 11.630 -2.633 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.680 13.149 -4.644 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.012 11.068 -3.466 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.381 11.827 -4.461 1.00 0.00 C ATOM 0 H TRP A 39 -7.477 14.730 -1.350 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.234 12.190 -2.231 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.312 14.447 -0.429 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.596 12.851 -0.321 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.606 15.974 -2.493 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.841 15.761 -4.373 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.441 11.037 -1.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.193 13.732 -5.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.753 10.026 -3.349 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.644 11.358 -5.096 1.00 0.00 H new ATOM 575 N PHE A 40 -7.334 10.895 -0.451 1.00 0.00 N ATOM 576 CA PHE A 40 -7.955 10.085 0.591 1.00 0.00 C ATOM 577 C PHE A 40 -7.078 8.888 0.945 1.00 0.00 C ATOM 578 O PHE A 40 -6.200 8.498 0.175 1.00 0.00 O ATOM 579 CB PHE A 40 -9.335 9.605 0.138 1.00 0.00 C ATOM 580 CG PHE A 40 -10.151 10.673 -0.533 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.814 11.631 0.217 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.255 10.719 -1.914 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.565 12.616 -0.398 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.004 11.701 -2.534 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.661 12.650 -1.775 1.00 0.00 C ATOM 0 H PHE A 40 -7.119 10.386 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.068 10.705 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.212 8.768 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.882 9.230 1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.743 11.608 1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.745 9.979 -2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.076 13.358 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.076 11.727 -3.611 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.249 13.417 -2.258 1.00 0.00 H new ATOM 595 N HIS A 41 -7.323 8.308 2.116 1.00 0.00 N ATOM 596 CA HIS A 41 -6.557 7.154 2.573 1.00 0.00 C ATOM 597 C HIS A 41 -7.138 5.859 2.013 1.00 0.00 C ATOM 598 O HIS A 41 -8.336 5.605 2.126 1.00 0.00 O ATOM 599 CB HIS A 41 -6.539 7.100 4.101 1.00 0.00 C ATOM 600 CG HIS A 41 -5.968 8.330 4.737 1.00 0.00 C ATOM 601 ND1 HIS A 41 -4.743 8.896 4.627 1.00 0.00 N flip ATOM 602 CD2 HIS A 41 -6.681 9.128 5.606 1.00 0.00 C flip ATOM 603 CE1 HIS A 41 -4.740 10.015 5.423 1.00 0.00 C flip ATOM 604 NE2 HIS A 41 -5.921 10.133 6.002 1.00 0.00 N flip ATOM 0 H HIS A 41 -8.046 8.618 2.765 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.535 7.260 2.209 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.556 6.953 4.463 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.959 6.234 4.419 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.702 8.958 5.915 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.907 10.689 5.554 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -6.199 10.874 6.645 1.00 0.00 H new ATOM 612 N GLY A 42 -6.280 5.044 1.407 1.00 0.00 N ATOM 613 CA GLY A 42 -6.727 3.786 0.837 1.00 0.00 C ATOM 614 C GLY A 42 -7.832 3.142 1.651 1.00 0.00 C ATOM 615 O GLY A 42 -8.957 2.991 1.173 1.00 0.00 O ATOM 0 H GLY A 42 -5.283 5.232 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.081 3.956 -0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.882 3.100 0.770 1.00 0.00 H new ATOM 619 N ASP A 43 -7.513 2.761 2.882 1.00 0.00 N ATOM 620 CA ASP A 43 -8.487 2.128 3.764 1.00 0.00 C ATOM 621 C ASP A 43 -9.781 2.936 3.812 1.00 0.00 C ATOM 622 O ASP A 43 -10.873 2.388 3.660 1.00 0.00 O ATOM 623 CB ASP A 43 -7.911 1.980 5.173 1.00 0.00 C ATOM 624 CG ASP A 43 -6.532 1.349 5.171 1.00 0.00 C ATOM 625 OD1 ASP A 43 -6.446 0.112 5.022 1.00 0.00 O ATOM 626 OD2 ASP A 43 -5.540 2.092 5.319 1.00 0.00 O ATOM 0 H ASP A 43 -6.587 2.879 3.293 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.712 1.138 3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.858 2.961 5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.585 1.372 5.776 1.00 0.00 H new ATOM 631 N CYS A 44 -9.650 4.240 4.027 1.00 0.00 N ATOM 632 CA CYS A 44 -10.807 5.124 4.097 1.00 0.00 C ATOM 633 C CYS A 44 -11.693 4.960 2.865 1.00 0.00 C ATOM 634 O CYS A 44 -12.914 4.847 2.975 1.00 0.00 O ATOM 635 CB CYS A 44 -10.357 6.580 4.224 1.00 0.00 C ATOM 636 SG CYS A 44 -10.115 7.137 5.942 1.00 0.00 S ATOM 0 H CYS A 44 -8.753 4.709 4.156 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.387 4.852 4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.423 6.710 3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.098 7.221 3.747 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.964 8.428 5.962 1.00 0.00 H new ATOM 641 N VAL A 45 -11.068 4.948 1.692 1.00 0.00 N ATOM 642 CA VAL A 45 -11.798 4.796 0.439 1.00 0.00 C ATOM 643 C VAL A 45 -11.761 3.352 -0.048 1.00 0.00 C ATOM 644 O VAL A 45 -12.065 3.067 -1.205 1.00 0.00 O ATOM 645 CB VAL A 45 -11.224 5.711 -0.659 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.468 7.173 -0.318 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.739 5.441 -0.855 1.00 0.00 C ATOM 0 H VAL A 45 -10.058 5.042 1.583 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.831 5.082 0.638 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.737 5.491 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.055 7.804 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.540 7.353 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.984 7.411 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.350 6.096 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.208 5.632 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.594 4.401 -1.149 1.00 0.00 H new ATOM 657 N GLY A 46 -11.385 2.441 0.846 1.00 0.00 N ATOM 658 CA GLY A 46 -11.315 1.036 0.489 1.00 0.00 C ATOM 659 C GLY A 46 -10.021 0.681 -0.217 1.00 0.00 C ATOM 660 O GLY A 46 -9.364 -0.299 0.135 1.00 0.00 O ATOM 0 H GLY A 46 -11.128 2.651 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.412 0.430 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.158 0.786 -0.156 1.00 0.00 H new ATOM 664 N ILE A 47 -9.656 1.477 -1.216 1.00 0.00 N ATOM 665 CA ILE A 47 -8.434 1.241 -1.973 1.00 0.00 C ATOM 666 C ILE A 47 -7.312 0.749 -1.065 1.00 0.00 C ATOM 667 O ILE A 47 -7.182 1.193 0.076 1.00 0.00 O ATOM 668 CB ILE A 47 -7.967 2.515 -2.702 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.989 2.923 -3.765 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.600 2.295 -3.331 1.00 0.00 C ATOM 671 CD1 ILE A 47 -8.981 2.030 -4.986 1.00 0.00 C ATOM 0 H ILE A 47 -10.190 2.291 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.664 0.474 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.884 3.323 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.985 2.911 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.790 3.949 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.284 3.204 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.878 2.046 -2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.657 1.477 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.730 2.379 -5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.996 2.060 -5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.211 1.006 -4.690 1.00 0.00 H new ATOM 683 N SER A 48 -6.501 -0.170 -1.580 1.00 0.00 N ATOM 684 CA SER A 48 -5.390 -0.725 -0.815 1.00 0.00 C ATOM 685 C SER A 48 -4.053 -0.267 -1.390 1.00 0.00 C ATOM 686 O SER A 48 -3.958 0.079 -2.567 1.00 0.00 O ATOM 687 CB SER A 48 -5.460 -2.253 -0.810 1.00 0.00 C ATOM 688 OG SER A 48 -6.354 -2.720 0.185 1.00 0.00 O ATOM 0 H SER A 48 -6.592 -0.546 -2.524 1.00 0.00 H new ATOM 0 HA SER A 48 -5.469 -0.362 0.210 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.783 -2.608 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.467 -2.665 -0.633 1.00 0.00 H new ATOM 0 HG SER A 48 -6.382 -3.699 0.166 1.00 0.00 H new ATOM 694 N GLU A 49 -3.023 -0.268 -0.549 1.00 0.00 N ATOM 695 CA GLU A 49 -1.692 0.148 -0.973 1.00 0.00 C ATOM 696 C GLU A 49 -1.368 -0.396 -2.362 1.00 0.00 C ATOM 697 O GLU A 49 -1.120 0.366 -3.296 1.00 0.00 O ATOM 698 CB GLU A 49 -0.640 -0.330 0.031 1.00 0.00 C ATOM 699 CG GLU A 49 0.670 0.435 -0.050 1.00 0.00 C ATOM 700 CD GLU A 49 1.551 0.213 1.164 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.011 -0.136 2.234 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.782 0.389 1.044 1.00 0.00 O ATOM 0 H GLU A 49 -3.085 -0.552 0.429 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.676 1.237 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.044 -0.237 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.444 -1.389 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.210 0.130 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.459 1.500 -0.151 1.00 0.00 H new ATOM 709 N ALA A 50 -1.372 -1.719 -2.489 1.00 0.00 N ATOM 710 CA ALA A 50 -1.081 -2.365 -3.762 1.00 0.00 C ATOM 711 C ALA A 50 -2.120 -1.996 -4.815 1.00 0.00 C ATOM 712 O ALA A 50 -1.780 -1.499 -5.889 1.00 0.00 O ATOM 713 CB ALA A 50 -1.018 -3.875 -3.586 1.00 0.00 C ATOM 0 H ALA A 50 -1.574 -2.364 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.110 -2.010 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.800 -4.344 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.233 -4.126 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.976 -4.238 -3.214 1.00 0.00 H new ATOM 719 N ARG A 51 -3.388 -2.243 -4.501 1.00 0.00 N ATOM 720 CA ARG A 51 -4.476 -1.938 -5.422 1.00 0.00 C ATOM 721 C ARG A 51 -4.170 -0.679 -6.228 1.00 0.00 C ATOM 722 O ARG A 51 -4.367 -0.644 -7.442 1.00 0.00 O ATOM 723 CB ARG A 51 -5.787 -1.758 -4.654 1.00 0.00 C ATOM 724 CG ARG A 51 -7.019 -2.158 -5.449 1.00 0.00 C ATOM 725 CD ARG A 51 -7.315 -1.159 -6.557 1.00 0.00 C ATOM 726 NE ARG A 51 -8.587 -1.435 -7.218 1.00 0.00 N ATOM 727 CZ ARG A 51 -9.244 -0.543 -7.951 1.00 0.00 C ATOM 728 NH1 ARG A 51 -8.750 0.676 -8.117 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.397 -0.870 -8.520 1.00 0.00 N ATOM 0 H ARG A 51 -3.687 -2.653 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.579 -2.775 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.747 -2.350 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.882 -0.714 -4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.870 -3.148 -5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.878 -2.228 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.334 -0.152 -6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.511 -1.185 -7.293 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.994 -2.364 -7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.864 0.931 -7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.256 1.359 -8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.780 -1.807 -8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.901 -0.184 -9.083 1.00 0.00 H new ATOM 743 N GLY A 52 -3.686 0.353 -5.544 1.00 0.00 N ATOM 744 CA GLY A 52 -3.361 1.599 -6.212 1.00 0.00 C ATOM 745 C GLY A 52 -1.920 1.648 -6.680 1.00 0.00 C ATOM 746 O GLY A 52 -1.652 1.822 -7.869 1.00 0.00 O ATOM 0 H GLY A 52 -3.513 0.348 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.022 1.732 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.548 2.431 -5.533 1.00 0.00 H new ATOM 750 N ARG A 53 -0.990 1.496 -5.743 1.00 0.00 N ATOM 751 CA ARG A 53 0.431 1.526 -6.065 1.00 0.00 C ATOM 752 C ARG A 53 0.691 0.914 -7.438 1.00 0.00 C ATOM 753 O ARG A 53 1.494 1.429 -8.218 1.00 0.00 O ATOM 754 CB ARG A 53 1.233 0.775 -5.000 1.00 0.00 C ATOM 755 CG ARG A 53 1.704 1.658 -3.856 1.00 0.00 C ATOM 756 CD ARG A 53 3.084 2.236 -4.130 1.00 0.00 C ATOM 757 NE ARG A 53 3.486 3.200 -3.109 1.00 0.00 N ATOM 758 CZ ARG A 53 4.751 3.504 -2.844 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.732 2.925 -3.521 1.00 0.00 N ATOM 760 NH2 ARG A 53 5.037 4.391 -1.899 1.00 0.00 N ATOM 0 H ARG A 53 -1.195 1.351 -4.755 1.00 0.00 H new ATOM 0 HA ARG A 53 0.751 2.568 -6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.620 -0.031 -4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.100 0.311 -5.470 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.992 2.469 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.728 1.078 -2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.814 1.427 -4.173 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.087 2.720 -5.107 1.00 0.00 H new ATOM 0 HE ARG A 53 2.755 3.665 -2.570 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.516 2.243 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.703 3.161 -3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.285 4.839 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.009 4.624 -1.696 1.00 0.00 H new ATOM 774 N LEU A 54 0.006 -0.187 -7.729 1.00 0.00 N ATOM 775 CA LEU A 54 0.163 -0.870 -9.008 1.00 0.00 C ATOM 776 C LEU A 54 -0.612 -0.150 -10.108 1.00 0.00 C ATOM 777 O LEU A 54 -0.041 0.251 -11.123 1.00 0.00 O ATOM 778 CB LEU A 54 -0.315 -2.319 -8.897 1.00 0.00 C ATOM 779 CG LEU A 54 0.731 -3.338 -8.447 1.00 0.00 C ATOM 780 CD1 LEU A 54 0.140 -4.739 -8.430 1.00 0.00 C ATOM 781 CD2 LEU A 54 1.953 -3.284 -9.353 1.00 0.00 C ATOM 0 H LEU A 54 -0.663 -0.625 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 54 1.221 -0.862 -9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.150 -2.352 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.700 -2.629 -9.868 1.00 0.00 H new ATOM 0 HG LEU A 54 1.043 -3.085 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.900 -5.451 -8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.703 -4.770 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.201 -5.002 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.687 -4.016 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.657 -3.510 -10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.391 -2.287 -9.314 1.00 0.00 H new ATOM 793 N LEU A 55 -1.913 0.013 -9.898 1.00 0.00 N ATOM 794 CA LEU A 55 -2.766 0.688 -10.870 1.00 0.00 C ATOM 795 C LEU A 55 -2.011 1.813 -11.569 1.00 0.00 C ATOM 796 O LEU A 55 -2.256 2.104 -12.740 1.00 0.00 O ATOM 797 CB LEU A 55 -4.014 1.245 -10.183 1.00 0.00 C ATOM 798 CG LEU A 55 -3.945 2.710 -9.750 1.00 0.00 C ATOM 799 CD1 LEU A 55 -4.017 3.628 -10.961 1.00 0.00 C ATOM 800 CD2 LEU A 55 -5.062 3.029 -8.768 1.00 0.00 C ATOM 0 H LEU A 55 -2.401 -0.313 -9.063 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.068 -0.043 -11.621 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.860 1.127 -10.860 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.222 0.636 -9.303 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.991 2.877 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.967 4.667 -10.634 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.181 3.417 -11.628 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.955 3.459 -11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.997 4.076 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.026 2.845 -9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.964 2.395 -7.887 1.00 0.00 H new ATOM 812 N GLU A 56 -1.091 2.442 -10.844 1.00 0.00 N ATOM 813 CA GLU A 56 -0.299 3.535 -11.395 1.00 0.00 C ATOM 814 C GLU A 56 0.544 3.055 -12.573 1.00 0.00 C ATOM 815 O GLU A 56 0.305 3.437 -13.718 1.00 0.00 O ATOM 816 CB GLU A 56 0.605 4.134 -10.317 1.00 0.00 C ATOM 817 CG GLU A 56 0.989 5.581 -10.579 1.00 0.00 C ATOM 818 CD GLU A 56 -0.213 6.460 -10.864 1.00 0.00 C ATOM 819 OE1 GLU A 56 -1.327 6.104 -10.427 1.00 0.00 O ATOM 820 OE2 GLU A 56 -0.039 7.505 -11.526 1.00 0.00 O ATOM 0 H GLU A 56 -0.876 2.213 -9.874 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.985 4.304 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.099 4.070 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.512 3.534 -10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.525 5.973 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.675 5.624 -11.425 1.00 0.00 H new ATOM 827 N ARG A 57 1.532 2.215 -12.282 1.00 0.00 N ATOM 828 CA ARG A 57 2.413 1.684 -13.315 1.00 0.00 C ATOM 829 C ARG A 57 1.619 0.898 -14.355 1.00 0.00 C ATOM 830 O ARG A 57 2.050 0.751 -15.498 1.00 0.00 O ATOM 831 CB ARG A 57 3.484 0.787 -12.691 1.00 0.00 C ATOM 832 CG ARG A 57 2.943 -0.533 -12.167 1.00 0.00 C ATOM 833 CD ARG A 57 3.029 -1.627 -13.219 1.00 0.00 C ATOM 834 NE ARG A 57 4.407 -1.886 -13.629 1.00 0.00 N ATOM 835 CZ ARG A 57 4.818 -3.042 -14.137 1.00 0.00 C ATOM 836 NH1 ARG A 57 3.961 -4.042 -14.297 1.00 0.00 N ATOM 837 NH2 ARG A 57 6.088 -3.201 -14.487 1.00 0.00 N ATOM 0 H ARG A 57 1.742 1.888 -11.339 1.00 0.00 H new ATOM 0 HA ARG A 57 2.897 2.525 -13.811 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.255 0.585 -13.435 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.964 1.324 -11.873 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.505 -0.832 -11.282 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.906 -0.405 -11.857 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.590 -2.544 -12.825 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.440 -1.340 -14.090 1.00 0.00 H new ATOM 0 HE ARG A 57 5.091 -1.138 -13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.984 -3.924 -14.030 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.279 -4.929 -14.687 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.750 -2.435 -14.366 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.402 -4.090 -14.877 1.00 0.00 H new ATOM 851 N ASN A 58 0.458 0.394 -13.949 1.00 0.00 N ATOM 852 CA ASN A 58 -0.395 -0.377 -14.845 1.00 0.00 C ATOM 853 C ASN A 58 -1.126 0.538 -15.823 1.00 0.00 C ATOM 854 O ASN A 58 -1.335 0.184 -16.982 1.00 0.00 O ATOM 855 CB ASN A 58 -1.408 -1.195 -14.040 1.00 0.00 C ATOM 856 CG ASN A 58 -0.873 -2.561 -13.655 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.692 -2.781 -12.358 1.00 0.00 O flip ATOM 858 ND2 ASN A 58 -0.625 -3.407 -14.513 1.00 0.00 N flip ATOM 0 H ASN A 58 0.087 0.506 -13.006 1.00 0.00 H new ATOM 0 HA ASN A 58 0.239 -1.055 -15.415 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.679 -0.646 -13.138 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.320 -1.317 -14.625 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.779 -3.194 -15.499 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.265 -4.321 -14.239 1.00 0.00 H new ATOM 865 N GLY A 59 -1.512 1.717 -15.345 1.00 0.00 N ATOM 866 CA GLY A 59 -2.214 2.665 -16.190 1.00 0.00 C ATOM 867 C GLY A 59 -3.719 2.583 -16.027 1.00 0.00 C ATOM 868 O GLY A 59 -4.450 2.466 -17.010 1.00 0.00 O ATOM 0 H GLY A 59 -1.351 2.032 -14.388 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.880 3.675 -15.953 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.954 2.480 -17.232 1.00 0.00 H new ATOM 872 N GLU A 60 -4.182 2.643 -14.782 1.00 0.00 N ATOM 873 CA GLU A 60 -5.610 2.572 -14.495 1.00 0.00 C ATOM 874 C GLU A 60 -6.090 3.845 -13.804 1.00 0.00 C ATOM 875 O GLU A 60 -5.287 4.631 -13.300 1.00 0.00 O ATOM 876 CB GLU A 60 -5.916 1.356 -13.618 1.00 0.00 C ATOM 877 CG GLU A 60 -6.012 0.054 -14.395 1.00 0.00 C ATOM 878 CD GLU A 60 -6.923 -0.958 -13.727 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.931 -0.541 -13.121 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.626 -2.169 -13.811 1.00 0.00 O ATOM 0 H GLU A 60 -3.590 2.740 -13.957 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.141 2.471 -15.442 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.139 1.260 -12.860 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.855 1.525 -13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.380 0.261 -15.400 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.016 -0.375 -14.503 1.00 0.00 H new ATOM 887 N ASP A 61 -7.404 4.041 -13.786 1.00 0.00 N ATOM 888 CA ASP A 61 -7.992 5.218 -13.157 1.00 0.00 C ATOM 889 C ASP A 61 -8.827 4.825 -11.942 1.00 0.00 C ATOM 890 O ASP A 61 -9.772 4.044 -12.052 1.00 0.00 O ATOM 891 CB ASP A 61 -8.858 5.980 -14.161 1.00 0.00 C ATOM 892 CG ASP A 61 -9.867 5.084 -14.853 1.00 0.00 C ATOM 893 OD1 ASP A 61 -9.441 4.183 -15.605 1.00 0.00 O ATOM 894 OD2 ASP A 61 -11.081 5.285 -14.643 1.00 0.00 O ATOM 0 H ASP A 61 -8.082 3.401 -14.199 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.180 5.865 -12.824 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.384 6.784 -13.646 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.217 6.446 -14.909 1.00 0.00 H new ATOM 899 N TYR A 62 -8.470 5.370 -10.784 1.00 0.00 N ATOM 900 CA TYR A 62 -9.183 5.073 -9.547 1.00 0.00 C ATOM 901 C TYR A 62 -10.240 6.136 -9.260 1.00 0.00 C ATOM 902 O TYR A 62 -9.970 7.334 -9.345 1.00 0.00 O ATOM 903 CB TYR A 62 -8.203 4.983 -8.377 1.00 0.00 C ATOM 904 CG TYR A 62 -7.269 6.168 -8.277 1.00 0.00 C ATOM 905 CD1 TYR A 62 -6.186 6.300 -9.138 1.00 0.00 C ATOM 906 CD2 TYR A 62 -7.470 7.157 -7.322 1.00 0.00 C ATOM 907 CE1 TYR A 62 -5.330 7.380 -9.049 1.00 0.00 C ATOM 908 CE2 TYR A 62 -6.620 8.242 -7.227 1.00 0.00 C ATOM 909 CZ TYR A 62 -5.552 8.349 -8.093 1.00 0.00 C ATOM 910 OH TYR A 62 -4.702 9.428 -8.002 1.00 0.00 O ATOM 0 H TYR A 62 -7.691 6.020 -10.676 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.683 4.112 -9.667 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.766 4.896 -7.448 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.612 4.073 -8.478 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.011 5.545 -9.890 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.305 7.076 -6.642 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.491 7.465 -9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.791 9.002 -6.479 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.084 10.188 -8.489 1.00 0.00 H new ATOM 920 N ILE A 63 -11.443 5.687 -8.919 1.00 0.00 N ATOM 921 CA ILE A 63 -12.540 6.598 -8.617 1.00 0.00 C ATOM 922 C ILE A 63 -13.051 6.391 -7.195 1.00 0.00 C ATOM 923 O ILE A 63 -13.875 5.511 -6.941 1.00 0.00 O ATOM 924 CB ILE A 63 -13.710 6.417 -9.602 1.00 0.00 C ATOM 925 CG1 ILE A 63 -13.244 6.683 -11.035 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.861 7.341 -9.233 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.612 8.044 -11.222 1.00 0.00 C ATOM 0 H ILE A 63 -11.683 4.698 -8.845 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.146 7.609 -8.716 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.063 5.387 -9.540 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.526 5.915 -11.323 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.096 6.591 -11.708 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.680 7.201 -9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -15.206 7.108 -8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.523 8.376 -9.270 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.306 8.163 -12.261 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.334 8.819 -10.965 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.740 8.132 -10.574 1.00 0.00 H new ATOM 939 N CYS A 64 -12.558 7.207 -6.270 1.00 0.00 N ATOM 940 CA CYS A 64 -12.964 7.116 -4.873 1.00 0.00 C ATOM 941 C CYS A 64 -14.457 6.820 -4.759 1.00 0.00 C ATOM 942 O CYS A 64 -15.244 7.112 -5.660 1.00 0.00 O ATOM 943 CB CYS A 64 -12.634 8.416 -4.138 1.00 0.00 C ATOM 944 SG CYS A 64 -13.969 9.655 -4.181 1.00 0.00 S ATOM 0 H CYS A 64 -11.876 7.940 -6.463 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.412 6.296 -4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.402 8.184 -3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.736 8.850 -4.576 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.687 10.625 -3.362 1.00 0.00 H new ATOM 949 N PRO A 65 -14.857 6.225 -3.626 1.00 0.00 N ATOM 950 CA PRO A 65 -16.257 5.877 -3.366 1.00 0.00 C ATOM 951 C PRO A 65 -17.130 7.108 -3.144 1.00 0.00 C ATOM 952 O PRO A 65 -18.164 7.271 -3.789 1.00 0.00 O ATOM 953 CB PRO A 65 -16.183 5.037 -2.089 1.00 0.00 C ATOM 954 CG PRO A 65 -14.936 5.488 -1.411 1.00 0.00 C ATOM 955 CD PRO A 65 -13.974 5.848 -2.509 1.00 0.00 C ATOM 0 HA PRO A 65 -16.710 5.356 -4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.057 5.198 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.146 3.972 -2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.131 6.345 -0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.529 4.699 -0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.321 6.671 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.331 5.008 -2.771 1.00 0.00 H new ATOM 963 N ASN A 66 -16.704 7.971 -2.228 1.00 0.00 N ATOM 964 CA ASN A 66 -17.447 9.188 -1.921 1.00 0.00 C ATOM 965 C ASN A 66 -17.986 9.832 -3.195 1.00 0.00 C ATOM 966 O ASN A 66 -19.045 10.460 -3.186 1.00 0.00 O ATOM 967 CB ASN A 66 -16.555 10.180 -1.173 1.00 0.00 C ATOM 968 CG ASN A 66 -17.203 11.544 -1.025 1.00 0.00 C ATOM 969 OD1 ASN A 66 -18.334 11.658 -0.554 1.00 0.00 O ATOM 970 ND2 ASN A 66 -16.486 12.586 -1.429 1.00 0.00 N ATOM 0 H ASN A 66 -15.849 7.851 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.291 8.918 -1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.323 9.782 -0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.609 10.286 -1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.869 13.528 -1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.552 12.444 -1.813 1.00 0.00 H new ATOM 977 N CYS A 67 -17.249 9.672 -4.289 1.00 0.00 N ATOM 978 CA CYS A 67 -17.652 10.237 -5.572 1.00 0.00 C ATOM 979 C CYS A 67 -18.823 9.460 -6.165 1.00 0.00 C ATOM 980 O CYS A 67 -19.921 9.996 -6.327 1.00 0.00 O ATOM 981 CB CYS A 67 -16.474 10.230 -6.548 1.00 0.00 C ATOM 982 SG CYS A 67 -15.470 11.750 -6.514 1.00 0.00 S ATOM 0 H CYS A 67 -16.370 9.156 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.970 11.266 -5.404 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.833 9.379 -6.320 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.854 10.081 -7.559 1.00 0.00 H new ATOM 0 HG CYS A 67 -14.536 11.633 -5.618 1.00 0.00 H new ATOM 987 N THR A 68 -18.583 8.193 -6.488 1.00 0.00 N ATOM 988 CA THR A 68 -19.617 7.342 -7.063 1.00 0.00 C ATOM 989 C THR A 68 -20.824 7.240 -6.138 1.00 0.00 C ATOM 990 O THR A 68 -21.960 7.459 -6.559 1.00 0.00 O ATOM 991 CB THR A 68 -19.083 5.925 -7.350 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.826 6.004 -8.030 1.00 0.00 O ATOM 993 CG2 THR A 68 -20.073 5.134 -8.191 1.00 0.00 C ATOM 0 H THR A 68 -17.681 7.734 -6.361 1.00 0.00 H new ATOM 0 HA THR A 68 -19.921 7.805 -8.002 1.00 0.00 H new ATOM 0 HB THR A 68 -18.948 5.411 -6.398 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.493 5.100 -8.207 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.674 4.137 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 68 -21.019 5.051 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.236 5.646 -9.139 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.571 6.908 -4.877 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.638 6.780 -3.892 1.00 0.00 C ATOM 1003 C ILE A 69 -22.737 7.808 -4.136 1.00 0.00 C ATOM 1004 O ILE A 69 -23.924 7.511 -3.990 1.00 0.00 O ATOM 1005 CB ILE A 69 -21.103 6.948 -2.458 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.236 5.748 -2.070 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.256 7.114 -1.479 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.803 5.759 -0.621 1.00 0.00 C ATOM 0 H ILE A 69 -19.636 6.723 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 69 -22.051 5.777 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.486 7.846 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.790 4.830 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.350 5.729 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.862 7.232 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.837 7.997 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.896 6.233 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.192 4.880 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -19.221 6.659 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.683 5.746 0.022 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.336 9.018 -4.510 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.287 10.091 -4.777 1.00 0.00 C ATOM 1022 C LEU A 70 -24.106 9.794 -6.029 1.00 0.00 C ATOM 1023 O LEU A 70 -25.318 9.590 -5.956 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.552 11.423 -4.939 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.826 11.944 -3.698 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.700 12.887 -4.095 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.803 12.641 -2.762 1.00 0.00 C ATOM 0 H LEU A 70 -21.358 9.281 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.967 10.159 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.824 11.318 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.273 12.176 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.392 11.094 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.195 13.248 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.986 12.357 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.111 13.733 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.269 13.005 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.266 13.481 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.574 11.936 -2.451 1.00 0.00 H new