USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=13 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 156:sc= 0.533 USER MOD Set 1.2: A 36 CYS SG : rot -48:sc= -0.769 USER MOD Set 1.3: A 64 CYS SG : rot 170:sc= 0.842 USER MOD Set 1.4: A 67 CYS SG : rot 86:sc= -3.47 USER MOD Set 2.1: A 25 HIS : no HD1:sc= -1.83 X(o=-3.3,f=-3.5!) USER MOD Set 2.2: A 30 MET CE :methyl 137:sc= -1.49 (180deg=-2) USER MOD Set 3.1: A 19 CYS SG : rot 168:sc= -0.0878 USER MOD Set 3.2: A 21 CYS SG : rot -72:sc= -1.73 USER MOD Set 3.3: A 23 GLN : amide:sc= 0.347 X(o=-1.9,f=-2.3) USER MOD Set 3.4: A 41 HIS : no HD1:sc= -0.446 X(o=-1.9,f=-1.6) USER MOD Set 3.5: A 44 CYS SG : rot 176:sc=0.000996 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.8) USER MOD Single : A 27 ASN : amide:sc= -0.0068 X(o=-0.0068,f=-0.23) 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 : amide:sc= -0.433 X(o=-0.43,f=-0.049) USER MOD Single : A 62 TYR OH : rot 121:sc= 1.29 USER MOD Single : A 66 ASN : amide:sc= -0.0067 X(o=-0.0067,f=-0.0067) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N ALA A 16 -6.559 21.861 8.229 1.00 0.00 N ATOM 185 CA ALA A 16 -6.161 21.082 7.063 1.00 0.00 C ATOM 186 C ALA A 16 -6.966 19.791 6.964 1.00 0.00 C ATOM 187 O ALA A 16 -6.748 18.851 7.729 1.00 0.00 O ATOM 188 CB ALA A 16 -4.672 20.775 7.118 1.00 0.00 C ATOM 0 HA ALA A 16 -6.366 21.676 6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.388 20.193 6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.108 21.708 7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.451 20.204 8.020 1.00 0.00 H new ATOM 194 N LEU A 17 -7.898 19.752 6.017 1.00 0.00 N ATOM 195 CA LEU A 17 -8.737 18.576 5.818 1.00 0.00 C ATOM 196 C LEU A 17 -8.713 18.130 4.360 1.00 0.00 C ATOM 197 O LEU A 17 -9.150 18.861 3.470 1.00 0.00 O ATOM 198 CB LEU A 17 -10.175 18.872 6.250 1.00 0.00 C ATOM 199 CG LEU A 17 -10.351 19.423 7.665 1.00 0.00 C ATOM 200 CD1 LEU A 17 -11.811 19.756 7.930 1.00 0.00 C ATOM 201 CD2 LEU A 17 -9.834 18.427 8.693 1.00 0.00 C ATOM 0 H LEU A 17 -8.091 20.521 5.376 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.339 17.768 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.604 19.586 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.755 17.953 6.165 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.769 20.340 7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.917 20.147 8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.149 20.505 7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.415 18.855 7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.967 18.836 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.389 17.493 8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.775 18.238 8.516 1.00 0.00 H new ATOM 213 N TYR A 18 -8.203 16.927 4.122 1.00 0.00 N ATOM 214 CA TYR A 18 -8.122 16.384 2.772 1.00 0.00 C ATOM 215 C TYR A 18 -9.122 15.248 2.581 1.00 0.00 C ATOM 216 O TYR A 18 -10.000 15.315 1.720 1.00 0.00 O ATOM 217 CB TYR A 18 -6.705 15.885 2.484 1.00 0.00 C ATOM 218 CG TYR A 18 -5.732 16.991 2.141 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.891 17.750 0.988 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.654 17.276 2.970 1.00 0.00 C ATOM 221 CE1 TYR A 18 -5.004 18.760 0.671 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.763 18.285 2.661 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.942 19.024 1.510 1.00 0.00 C ATOM 224 OH TYR A 18 -3.057 20.031 1.198 1.00 0.00 O ATOM 0 H TYR A 18 -7.839 16.309 4.847 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.368 17.182 2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.335 15.344 3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.740 15.174 1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.722 17.547 0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.510 16.699 3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.141 19.340 -0.230 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.931 18.494 3.317 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.368 20.088 1.892 1.00 0.00 H new ATOM 234 N CYS A 19 -8.982 14.203 3.390 1.00 0.00 N ATOM 235 CA CYS A 19 -9.871 13.051 3.313 1.00 0.00 C ATOM 236 C CYS A 19 -11.298 13.438 3.692 1.00 0.00 C ATOM 237 O CYS A 19 -11.540 14.533 4.200 1.00 0.00 O ATOM 238 CB CYS A 19 -9.373 11.933 4.231 1.00 0.00 C ATOM 239 SG CYS A 19 -10.071 10.293 3.853 1.00 0.00 S ATOM 0 H CYS A 19 -8.260 14.131 4.107 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.872 12.693 2.283 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.287 11.878 4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.615 12.190 5.262 1.00 0.00 H new ATOM 0 HG CYS A 19 -9.413 9.381 4.505 1.00 0.00 H new ATOM 244 N ILE A 20 -12.237 12.532 3.443 1.00 0.00 N ATOM 245 CA ILE A 20 -13.638 12.778 3.760 1.00 0.00 C ATOM 246 C ILE A 20 -13.871 12.773 5.267 1.00 0.00 C ATOM 247 O ILE A 20 -14.834 13.360 5.760 1.00 0.00 O ATOM 248 CB ILE A 20 -14.556 11.727 3.107 1.00 0.00 C ATOM 249 CG1 ILE A 20 -14.197 10.325 3.605 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.450 11.800 1.591 1.00 0.00 C ATOM 251 CD1 ILE A 20 -15.248 9.284 3.287 1.00 0.00 C ATOM 0 H ILE A 20 -12.053 11.621 3.023 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.883 13.762 3.360 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.587 11.940 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.250 10.021 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.045 10.359 4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.104 11.051 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.749 12.792 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.420 11.609 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.927 8.315 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -16.191 9.565 3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.383 9.222 2.207 1.00 0.00 H new ATOM 263 N CYS A 21 -12.980 12.107 5.995 1.00 0.00 N ATOM 264 CA CYS A 21 -13.086 12.026 7.447 1.00 0.00 C ATOM 265 C CYS A 21 -12.488 13.266 8.105 1.00 0.00 C ATOM 266 O CYS A 21 -12.199 13.268 9.302 1.00 0.00 O ATOM 267 CB CYS A 21 -12.379 10.771 7.961 1.00 0.00 C ATOM 268 SG CYS A 21 -10.592 10.728 7.610 1.00 0.00 S ATOM 0 H CYS A 21 -12.177 11.616 5.603 1.00 0.00 H new ATOM 0 HA CYS A 21 -14.143 11.972 7.708 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.529 10.698 9.038 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.847 9.894 7.514 1.00 0.00 H new ATOM 0 HG CYS A 21 -10.404 10.515 6.341 1.00 0.00 H new ATOM 273 N ARG A 22 -12.307 14.320 7.316 1.00 0.00 N ATOM 274 CA ARG A 22 -11.743 15.566 7.822 1.00 0.00 C ATOM 275 C ARG A 22 -10.483 15.300 8.640 1.00 0.00 C ATOM 276 O ARG A 22 -10.373 15.735 9.786 1.00 0.00 O ATOM 277 CB ARG A 22 -12.773 16.306 8.677 1.00 0.00 C ATOM 278 CG ARG A 22 -13.920 16.896 7.874 1.00 0.00 C ATOM 279 CD ARG A 22 -14.907 15.824 7.441 1.00 0.00 C ATOM 280 NE ARG A 22 -16.268 16.344 7.332 1.00 0.00 N ATOM 281 CZ ARG A 22 -17.355 15.587 7.435 1.00 0.00 C ATOM 282 NH1 ARG A 22 -17.241 14.284 7.650 1.00 0.00 N ATOM 283 NH2 ARG A 22 -18.558 16.134 7.324 1.00 0.00 N ATOM 0 H ARG A 22 -12.543 14.336 6.324 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.476 16.188 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.177 15.619 9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.273 17.107 9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.436 17.647 8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.526 17.405 6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.598 15.414 6.480 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.889 15.004 8.158 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.390 17.343 7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.317 13.860 7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.077 13.705 7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.649 17.136 7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.392 15.552 7.403 1.00 0.00 H new ATOM 297 N GLN A 23 -9.537 14.581 8.044 1.00 0.00 N ATOM 298 CA GLN A 23 -8.286 14.256 8.718 1.00 0.00 C ATOM 299 C GLN A 23 -7.087 14.655 7.864 1.00 0.00 C ATOM 300 O GLN A 23 -7.167 14.735 6.638 1.00 0.00 O ATOM 301 CB GLN A 23 -8.226 12.761 9.036 1.00 0.00 C ATOM 302 CG GLN A 23 -9.118 12.349 10.196 1.00 0.00 C ATOM 303 CD GLN A 23 -8.570 11.161 10.960 1.00 0.00 C ATOM 304 OE1 GLN A 23 -8.027 11.309 12.056 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.708 9.972 10.385 1.00 0.00 N ATOM 0 H GLN A 23 -9.613 14.213 7.096 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.248 14.820 9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.515 12.198 8.149 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.196 12.488 9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.234 13.192 10.877 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.111 12.106 9.817 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.164 9.895 9.476 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.358 9.136 10.852 1.00 0.00 H new ATOM 314 N PRO A 24 -5.948 14.912 8.524 1.00 0.00 N ATOM 315 CA PRO A 24 -4.711 15.307 7.845 1.00 0.00 C ATOM 316 C PRO A 24 -4.101 14.164 7.040 1.00 0.00 C ATOM 317 O PRO A 24 -4.714 13.108 6.880 1.00 0.00 O ATOM 318 CB PRO A 24 -3.785 15.704 8.997 1.00 0.00 C ATOM 319 CG PRO A 24 -4.292 14.941 10.171 1.00 0.00 C ATOM 320 CD PRO A 24 -5.781 14.837 9.985 1.00 0.00 C ATOM 0 HA PRO A 24 -4.880 16.105 7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.748 15.449 8.777 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.818 16.778 9.179 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.835 13.953 10.221 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.050 15.452 11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.172 13.902 10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.307 15.646 10.492 1.00 0.00 H new ATOM 328 N HIS A 25 -2.891 14.381 6.536 1.00 0.00 N ATOM 329 CA HIS A 25 -2.197 13.368 5.749 1.00 0.00 C ATOM 330 C HIS A 25 -1.380 12.446 6.649 1.00 0.00 C ATOM 331 O HIS A 25 -0.243 12.756 7.001 1.00 0.00 O ATOM 332 CB HIS A 25 -1.286 14.030 4.715 1.00 0.00 C ATOM 333 CG HIS A 25 -0.755 13.078 3.688 1.00 0.00 C ATOM 334 ND1 HIS A 25 -0.690 13.381 2.344 1.00 0.00 N ATOM 335 CD2 HIS A 25 -0.261 11.824 3.814 1.00 0.00 C ATOM 336 CE1 HIS A 25 -0.181 12.353 1.688 1.00 0.00 C ATOM 337 NE2 HIS A 25 0.089 11.396 2.557 1.00 0.00 N ATOM 0 H HIS A 25 -2.370 15.250 6.658 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.947 12.770 5.231 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.838 14.824 4.212 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.448 14.501 5.229 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.161 11.264 4.732 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.014 12.304 0.622 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.492 10.487 2.331 1.00 0.00 H new ATOM 346 N ASN A 26 -1.968 11.312 7.017 1.00 0.00 N ATOM 347 CA ASN A 26 -1.294 10.346 7.877 1.00 0.00 C ATOM 348 C ASN A 26 -0.465 9.368 7.051 1.00 0.00 C ATOM 349 O ASN A 26 -0.534 9.363 5.823 1.00 0.00 O ATOM 350 CB ASN A 26 -2.317 9.581 8.719 1.00 0.00 C ATOM 351 CG ASN A 26 -3.182 10.503 9.557 1.00 0.00 C ATOM 352 OD1 ASN A 26 -2.791 11.629 9.866 1.00 0.00 O ATOM 353 ND2 ASN A 26 -4.365 10.028 9.930 1.00 0.00 N ATOM 0 H ASN A 26 -2.909 11.040 6.733 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.624 10.893 8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.953 8.988 8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.795 8.883 9.373 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.990 10.603 10.495 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.648 9.089 9.651 1.00 0.00 H new ATOM 360 N ASN A 27 0.317 8.539 7.735 1.00 0.00 N ATOM 361 CA ASN A 27 1.160 7.555 7.065 1.00 0.00 C ATOM 362 C ASN A 27 0.355 6.752 6.048 1.00 0.00 C ATOM 363 O ASN A 27 0.814 6.504 4.933 1.00 0.00 O ATOM 364 CB ASN A 27 1.794 6.613 8.090 1.00 0.00 C ATOM 365 CG ASN A 27 2.045 5.228 7.524 1.00 0.00 C ATOM 366 OD1 ASN A 27 1.179 4.355 7.582 1.00 0.00 O ATOM 367 ND2 ASN A 27 3.235 5.022 6.973 1.00 0.00 N ATOM 0 H ASN A 27 0.385 8.529 8.753 1.00 0.00 H new ATOM 0 HA ASN A 27 1.950 8.089 6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.736 7.038 8.436 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.142 6.535 8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.462 4.111 6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.922 5.775 6.947 1.00 0.00 H new ATOM 374 N ARG A 28 -0.849 6.349 6.440 1.00 0.00 N ATOM 375 CA ARG A 28 -1.719 5.573 5.564 1.00 0.00 C ATOM 376 C ARG A 28 -1.528 5.984 4.107 1.00 0.00 C ATOM 377 O ARG A 28 -1.228 7.141 3.812 1.00 0.00 O ATOM 378 CB ARG A 28 -3.182 5.756 5.970 1.00 0.00 C ATOM 379 CG ARG A 28 -3.565 4.993 7.228 1.00 0.00 C ATOM 380 CD ARG A 28 -4.737 5.650 7.942 1.00 0.00 C ATOM 381 NE ARG A 28 -4.295 6.624 8.936 1.00 0.00 N ATOM 382 CZ ARG A 28 -3.718 6.290 10.086 1.00 0.00 C ATOM 383 NH1 ARG A 28 -3.515 5.015 10.384 1.00 0.00 N ATOM 384 NH2 ARG A 28 -3.344 7.234 10.940 1.00 0.00 N ATOM 0 H ARG A 28 -1.245 6.547 7.359 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.451 4.521 5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.377 6.817 6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.821 5.431 5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.825 3.967 6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.709 4.944 7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.377 6.143 7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.341 4.884 8.428 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.437 7.614 8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.802 4.287 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.072 4.762 11.267 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.499 8.217 10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.901 6.977 11.822 1.00 0.00 H new ATOM 398 N PHE A 29 -1.705 5.029 3.200 1.00 0.00 N ATOM 399 CA PHE A 29 -1.551 5.291 1.774 1.00 0.00 C ATOM 400 C PHE A 29 -2.586 6.303 1.292 1.00 0.00 C ATOM 401 O PHE A 29 -3.696 6.370 1.819 1.00 0.00 O ATOM 402 CB PHE A 29 -1.683 3.991 0.978 1.00 0.00 C ATOM 403 CG PHE A 29 -1.630 4.191 -0.510 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.579 4.881 -1.092 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.631 3.690 -1.326 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.527 5.067 -2.461 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.584 3.872 -2.695 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.531 4.562 -3.263 1.00 0.00 C ATOM 0 H PHE A 29 -1.955 4.067 3.427 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.557 5.709 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.884 3.311 1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.625 3.509 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.209 5.278 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.458 3.151 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.298 5.607 -2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.370 3.475 -3.320 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.493 4.706 -4.333 1.00 0.00 H new ATOM 418 N MET A 30 -2.213 7.090 0.288 1.00 0.00 N ATOM 419 CA MET A 30 -3.109 8.098 -0.265 1.00 0.00 C ATOM 420 C MET A 30 -3.068 8.084 -1.790 1.00 0.00 C ATOM 421 O MET A 30 -2.075 7.672 -2.390 1.00 0.00 O ATOM 422 CB MET A 30 -2.731 9.487 0.254 1.00 0.00 C ATOM 423 CG MET A 30 -2.810 9.612 1.767 1.00 0.00 C ATOM 424 SD MET A 30 -4.429 10.164 2.335 1.00 0.00 S ATOM 425 CE MET A 30 -4.097 11.890 2.679 1.00 0.00 C ATOM 0 H MET A 30 -1.297 7.049 -0.159 1.00 0.00 H new ATOM 0 HA MET A 30 -4.124 7.862 0.056 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.717 9.723 -0.070 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.391 10.227 -0.199 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.580 8.648 2.220 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.050 10.314 2.110 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.919 12.500 2.304 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.999 12.034 3.755 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.171 12.187 2.188 1.00 0.00 H new ATOM 435 N ILE A 31 -4.153 8.537 -2.411 1.00 0.00 N ATOM 436 CA ILE A 31 -4.239 8.576 -3.866 1.00 0.00 C ATOM 437 C ILE A 31 -4.943 9.843 -4.340 1.00 0.00 C ATOM 438 O ILE A 31 -5.732 10.439 -3.606 1.00 0.00 O ATOM 439 CB ILE A 31 -4.987 7.349 -4.419 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.487 7.473 -4.146 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.435 6.071 -3.804 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.863 7.218 -2.704 1.00 0.00 C ATOM 0 H ILE A 31 -4.984 8.882 -1.930 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.216 8.568 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.836 7.305 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.818 8.473 -4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.023 6.769 -4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.974 5.212 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.376 5.979 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.560 6.105 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.941 7.323 -2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.564 6.208 -2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.355 7.938 -2.063 1.00 0.00 H new ATOM 454 N CYS A 32 -4.653 10.248 -5.572 1.00 0.00 N ATOM 455 CA CYS A 32 -5.259 11.444 -6.146 1.00 0.00 C ATOM 456 C CYS A 32 -6.409 11.077 -7.078 1.00 0.00 C ATOM 457 O CYS A 32 -6.197 10.769 -8.251 1.00 0.00 O ATOM 458 CB CYS A 32 -4.210 12.258 -6.906 1.00 0.00 C ATOM 459 SG CYS A 32 -4.582 14.024 -7.013 1.00 0.00 S ATOM 0 H CYS A 32 -4.002 9.766 -6.192 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.656 12.048 -5.330 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.243 12.130 -6.419 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.114 11.856 -7.915 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.637 14.627 -7.671 1.00 0.00 H new ATOM 465 N CYS A 33 -7.627 11.110 -6.547 1.00 0.00 N ATOM 466 CA CYS A 33 -8.811 10.779 -7.330 1.00 0.00 C ATOM 467 C CYS A 33 -8.839 11.569 -8.635 1.00 0.00 C ATOM 468 O CYS A 33 -8.043 12.487 -8.835 1.00 0.00 O ATOM 469 CB CYS A 33 -10.079 11.064 -6.521 1.00 0.00 C ATOM 470 SG CYS A 33 -11.563 10.207 -7.138 1.00 0.00 S ATOM 0 H CYS A 33 -7.819 11.363 -5.578 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.772 9.716 -7.570 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.909 10.773 -5.485 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.265 12.138 -6.524 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.423 10.078 -6.172 1.00 0.00 H new ATOM 475 N ASP A 34 -9.761 11.205 -9.521 1.00 0.00 N ATOM 476 CA ASP A 34 -9.894 11.880 -10.806 1.00 0.00 C ATOM 477 C ASP A 34 -11.186 12.689 -10.864 1.00 0.00 C ATOM 478 O ASP A 34 -11.233 13.759 -11.471 1.00 0.00 O ATOM 479 CB ASP A 34 -9.864 10.861 -11.947 1.00 0.00 C ATOM 480 CG ASP A 34 -9.563 11.501 -13.287 1.00 0.00 C ATOM 481 OD1 ASP A 34 -8.369 11.612 -13.637 1.00 0.00 O ATOM 482 OD2 ASP A 34 -10.521 11.890 -13.987 1.00 0.00 O ATOM 0 H ASP A 34 -10.427 10.447 -9.372 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.053 12.564 -10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.111 10.102 -11.733 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.826 10.350 -11.999 1.00 0.00 H new ATOM 487 N ARG A 35 -12.232 12.170 -10.230 1.00 0.00 N ATOM 488 CA ARG A 35 -13.525 12.843 -10.211 1.00 0.00 C ATOM 489 C ARG A 35 -13.481 14.080 -9.318 1.00 0.00 C ATOM 490 O ARG A 35 -13.757 15.193 -9.767 1.00 0.00 O ATOM 491 CB ARG A 35 -14.615 11.887 -9.723 1.00 0.00 C ATOM 492 CG ARG A 35 -15.282 11.103 -10.841 1.00 0.00 C ATOM 493 CD ARG A 35 -16.493 11.839 -11.393 1.00 0.00 C ATOM 494 NE ARG A 35 -16.723 11.536 -12.803 1.00 0.00 N ATOM 495 CZ ARG A 35 -17.813 11.905 -13.466 1.00 0.00 C ATOM 496 NH1 ARG A 35 -18.767 12.589 -12.850 1.00 0.00 N ATOM 497 NH2 ARG A 35 -17.949 11.592 -14.748 1.00 0.00 N ATOM 0 H ARG A 35 -12.209 11.285 -9.723 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.757 13.158 -11.228 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.180 11.187 -9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.374 12.458 -9.188 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.564 10.929 -11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.588 10.125 -10.469 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.376 11.567 -10.815 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.351 12.913 -11.272 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.007 11.012 -13.306 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.665 12.833 -11.865 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -19.603 12.871 -13.361 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.216 11.067 -15.225 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.787 11.876 -15.256 1.00 0.00 H new ATOM 511 N CYS A 36 -13.133 13.877 -8.052 1.00 0.00 N ATOM 512 CA CYS A 36 -13.054 14.974 -7.095 1.00 0.00 C ATOM 513 C CYS A 36 -11.621 15.481 -6.966 1.00 0.00 C ATOM 514 O CYS A 36 -11.390 16.620 -6.563 1.00 0.00 O ATOM 515 CB CYS A 36 -13.573 14.524 -5.728 1.00 0.00 C ATOM 516 SG CYS A 36 -12.607 13.176 -4.973 1.00 0.00 S ATOM 0 H CYS A 36 -12.901 12.962 -7.665 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.677 15.789 -7.462 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.574 15.379 -5.052 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.608 14.200 -5.833 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.410 12.238 -5.852 1.00 0.00 H new ATOM 521 N GLU A 37 -10.663 14.626 -7.312 1.00 0.00 N ATOM 522 CA GLU A 37 -9.253 14.988 -7.234 1.00 0.00 C ATOM 523 C GLU A 37 -8.871 15.388 -5.812 1.00 0.00 C ATOM 524 O GLU A 37 -8.330 16.470 -5.585 1.00 0.00 O ATOM 525 CB GLU A 37 -8.944 16.135 -8.199 1.00 0.00 C ATOM 526 CG GLU A 37 -8.928 15.715 -9.659 1.00 0.00 C ATOM 527 CD GLU A 37 -8.727 16.886 -10.601 1.00 0.00 C ATOM 528 OE1 GLU A 37 -9.473 17.880 -10.478 1.00 0.00 O ATOM 529 OE2 GLU A 37 -7.824 16.809 -11.460 1.00 0.00 O ATOM 0 H GLU A 37 -10.838 13.679 -7.649 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.664 14.115 -7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.686 16.922 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.975 16.563 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.132 14.987 -9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.867 15.217 -9.900 1.00 0.00 H new ATOM 536 N GLU A 38 -9.159 14.508 -4.858 1.00 0.00 N ATOM 537 CA GLU A 38 -8.847 14.770 -3.458 1.00 0.00 C ATOM 538 C GLU A 38 -7.921 13.695 -2.897 1.00 0.00 C ATOM 539 O GLU A 38 -7.647 12.691 -3.554 1.00 0.00 O ATOM 540 CB GLU A 38 -10.132 14.834 -2.630 1.00 0.00 C ATOM 541 CG GLU A 38 -10.764 16.216 -2.593 1.00 0.00 C ATOM 542 CD GLU A 38 -11.957 16.287 -1.660 1.00 0.00 C ATOM 543 OE1 GLU A 38 -11.757 16.188 -0.432 1.00 0.00 O ATOM 544 OE2 GLU A 38 -13.091 16.443 -2.159 1.00 0.00 O ATOM 0 H GLU A 38 -9.608 13.608 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.337 15.732 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.853 14.125 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.914 14.516 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.017 16.945 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.077 16.495 -3.599 1.00 0.00 H new ATOM 551 N TRP A 39 -7.441 13.915 -1.678 1.00 0.00 N ATOM 552 CA TRP A 39 -6.544 12.966 -1.027 1.00 0.00 C ATOM 553 C TRP A 39 -7.260 12.222 0.095 1.00 0.00 C ATOM 554 O TRP A 39 -7.598 12.808 1.124 1.00 0.00 O ATOM 555 CB TRP A 39 -5.316 13.690 -0.474 1.00 0.00 C ATOM 556 CG TRP A 39 -4.379 14.170 -1.541 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.104 15.468 -1.867 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.596 13.358 -2.422 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.197 15.511 -2.898 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.869 14.230 -3.256 1.00 0.00 C ATOM 561 CE3 TRP A 39 -3.436 11.980 -2.587 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.998 13.767 -4.238 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.572 11.521 -3.563 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.861 12.412 -4.378 1.00 0.00 C ATOM 0 H TRP A 39 -7.658 14.741 -1.121 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.222 12.238 -1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.643 14.542 0.122 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.779 13.019 0.196 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.536 16.333 -1.385 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.828 16.359 -3.327 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.978 11.285 -1.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.450 14.452 -4.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.443 10.458 -3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.192 12.022 -5.131 1.00 0.00 H new ATOM 575 N PHE A 40 -7.489 10.929 -0.109 1.00 0.00 N ATOM 576 CA PHE A 40 -8.165 10.106 0.887 1.00 0.00 C ATOM 577 C PHE A 40 -7.261 8.972 1.360 1.00 0.00 C ATOM 578 O PHE A 40 -6.220 8.702 0.761 1.00 0.00 O ATOM 579 CB PHE A 40 -9.462 9.534 0.310 1.00 0.00 C ATOM 580 CG PHE A 40 -10.304 10.555 -0.400 1.00 0.00 C ATOM 581 CD1 PHE A 40 -11.089 11.444 0.315 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.311 10.624 -1.784 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.865 12.385 -0.335 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.084 11.563 -2.440 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.863 12.444 -1.715 1.00 0.00 C ATOM 0 H PHE A 40 -7.216 10.429 -0.955 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.403 10.737 1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.218 8.730 -0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.045 9.092 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.095 11.401 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.706 9.936 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.472 13.073 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.079 11.608 -3.519 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.469 13.177 -2.226 1.00 0.00 H new ATOM 595 N HIS A 41 -7.667 8.310 2.439 1.00 0.00 N ATOM 596 CA HIS A 41 -6.895 7.204 2.993 1.00 0.00 C ATOM 597 C HIS A 41 -7.282 5.885 2.332 1.00 0.00 C ATOM 598 O HIS A 41 -8.462 5.551 2.236 1.00 0.00 O ATOM 599 CB HIS A 41 -7.108 7.112 4.505 1.00 0.00 C ATOM 600 CG HIS A 41 -6.725 8.359 5.241 1.00 0.00 C ATOM 601 ND1 HIS A 41 -7.602 9.059 6.043 1.00 0.00 N ATOM 602 CD2 HIS A 41 -5.551 9.031 5.294 1.00 0.00 C ATOM 603 CE1 HIS A 41 -6.984 10.107 6.557 1.00 0.00 C ATOM 604 NE2 HIS A 41 -5.738 10.113 6.118 1.00 0.00 N ATOM 0 H HIS A 41 -8.526 8.521 2.947 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.841 7.394 2.793 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.157 6.891 4.703 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.527 6.277 4.895 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.637 8.765 4.783 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -7.423 10.835 7.223 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -5.030 10.809 6.353 1.00 0.00 H new ATOM 612 N GLY A 42 -6.280 5.140 1.876 1.00 0.00 N ATOM 613 CA GLY A 42 -6.536 3.867 1.228 1.00 0.00 C ATOM 614 C GLY A 42 -7.598 3.056 1.945 1.00 0.00 C ATOM 615 O GLY A 42 -8.416 2.392 1.308 1.00 0.00 O ATOM 0 H GLY A 42 -5.295 5.395 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.850 4.043 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.611 3.292 1.185 1.00 0.00 H new ATOM 619 N ASP A 43 -7.584 3.107 3.272 1.00 0.00 N ATOM 620 CA ASP A 43 -8.552 2.371 4.076 1.00 0.00 C ATOM 621 C ASP A 43 -9.938 3.000 3.969 1.00 0.00 C ATOM 622 O ASP A 43 -10.935 2.303 3.781 1.00 0.00 O ATOM 623 CB ASP A 43 -8.107 2.331 5.539 1.00 0.00 C ATOM 624 CG ASP A 43 -9.085 1.580 6.421 1.00 0.00 C ATOM 625 OD1 ASP A 43 -9.721 0.627 5.924 1.00 0.00 O ATOM 626 OD2 ASP A 43 -9.215 1.946 7.608 1.00 0.00 O ATOM 0 H ASP A 43 -6.912 3.651 3.814 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.605 1.352 3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.127 1.859 5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.996 3.350 5.910 1.00 0.00 H new ATOM 631 N CYS A 44 -9.992 4.322 4.092 1.00 0.00 N ATOM 632 CA CYS A 44 -11.255 5.047 4.011 1.00 0.00 C ATOM 633 C CYS A 44 -11.979 4.734 2.705 1.00 0.00 C ATOM 634 O CYS A 44 -13.074 4.172 2.709 1.00 0.00 O ATOM 635 CB CYS A 44 -11.011 6.553 4.124 1.00 0.00 C ATOM 636 SG CYS A 44 -11.060 7.189 5.831 1.00 0.00 S ATOM 0 H CYS A 44 -9.176 4.913 4.248 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.884 4.725 4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -10.039 6.786 3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.760 7.077 3.531 1.00 0.00 H new ATOM 0 HG CYS A 44 -10.764 8.455 5.831 1.00 0.00 H new ATOM 641 N VAL A 45 -11.359 5.102 1.588 1.00 0.00 N ATOM 642 CA VAL A 45 -11.942 4.860 0.274 1.00 0.00 C ATOM 643 C VAL A 45 -11.929 3.374 -0.068 1.00 0.00 C ATOM 644 O VAL A 45 -12.764 2.895 -0.833 1.00 0.00 O ATOM 645 CB VAL A 45 -11.191 5.635 -0.825 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.313 7.134 -0.598 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.731 5.211 -0.872 1.00 0.00 C ATOM 0 H VAL A 45 -10.452 5.569 1.567 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.973 5.211 0.316 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.645 5.399 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.776 7.666 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.364 7.421 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.886 7.391 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.215 5.768 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.261 5.416 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.669 4.144 -1.086 1.00 0.00 H new ATOM 657 N GLY A 46 -10.974 2.649 0.507 1.00 0.00 N ATOM 658 CA GLY A 46 -10.869 1.224 0.251 1.00 0.00 C ATOM 659 C GLY A 46 -9.566 0.850 -0.427 1.00 0.00 C ATOM 660 O GLY A 46 -8.968 -0.179 -0.112 1.00 0.00 O ATOM 0 H GLY A 46 -10.272 3.023 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.953 0.682 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.704 0.908 -0.374 1.00 0.00 H new ATOM 664 N ILE A 47 -9.126 1.687 -1.361 1.00 0.00 N ATOM 665 CA ILE A 47 -7.885 1.438 -2.085 1.00 0.00 C ATOM 666 C ILE A 47 -6.793 0.933 -1.147 1.00 0.00 C ATOM 667 O ILE A 47 -6.580 1.489 -0.070 1.00 0.00 O ATOM 668 CB ILE A 47 -7.386 2.708 -2.799 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.448 3.223 -3.772 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.082 2.427 -3.530 1.00 0.00 C ATOM 671 CD1 ILE A 47 -8.842 2.212 -4.827 1.00 0.00 C ATOM 0 H ILE A 47 -9.610 2.542 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.102 0.673 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.201 3.479 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.335 3.513 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.074 4.122 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.742 3.334 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.327 2.102 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.242 1.643 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.598 2.645 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.966 1.940 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.246 1.322 -4.345 1.00 0.00 H new ATOM 683 N SER A 48 -6.103 -0.122 -1.566 1.00 0.00 N ATOM 684 CA SER A 48 -5.034 -0.704 -0.764 1.00 0.00 C ATOM 685 C SER A 48 -3.666 -0.280 -1.291 1.00 0.00 C ATOM 686 O SER A 48 -3.502 -0.027 -2.484 1.00 0.00 O ATOM 687 CB SER A 48 -5.142 -2.230 -0.761 1.00 0.00 C ATOM 688 OG SER A 48 -6.351 -2.655 -0.158 1.00 0.00 O ATOM 0 H SER A 48 -6.265 -0.592 -2.457 1.00 0.00 H new ATOM 0 HA SER A 48 -5.140 -0.338 0.257 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.092 -2.603 -1.784 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.295 -2.656 -0.224 1.00 0.00 H new ATOM 0 HG SER A 48 -6.396 -3.634 -0.170 1.00 0.00 H new ATOM 694 N GLU A 49 -2.689 -0.207 -0.393 1.00 0.00 N ATOM 695 CA GLU A 49 -1.336 0.187 -0.768 1.00 0.00 C ATOM 696 C GLU A 49 -0.935 -0.443 -2.098 1.00 0.00 C ATOM 697 O GLU A 49 -0.404 0.231 -2.981 1.00 0.00 O ATOM 698 CB GLU A 49 -0.342 -0.220 0.322 1.00 0.00 C ATOM 699 CG GLU A 49 0.879 0.681 0.400 1.00 0.00 C ATOM 700 CD GLU A 49 1.789 0.331 1.561 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.290 -0.230 2.559 1.00 0.00 O ATOM 702 OE2 GLU A 49 3.001 0.619 1.472 1.00 0.00 O ATOM 0 H GLU A 49 -2.809 -0.415 0.598 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.318 1.271 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.850 -0.213 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.016 -1.244 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.440 0.608 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.556 1.717 0.496 1.00 0.00 H new ATOM 709 N ALA A 50 -1.193 -1.739 -2.234 1.00 0.00 N ATOM 710 CA ALA A 50 -0.860 -2.461 -3.456 1.00 0.00 C ATOM 711 C ALA A 50 -1.785 -2.057 -4.600 1.00 0.00 C ATOM 712 O ALA A 50 -1.329 -1.772 -5.708 1.00 0.00 O ATOM 713 CB ALA A 50 -0.934 -3.962 -3.220 1.00 0.00 C ATOM 0 H ALA A 50 -1.632 -2.311 -1.513 1.00 0.00 H new ATOM 0 HA ALA A 50 0.160 -2.199 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.683 -4.488 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.228 -4.243 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.944 -4.232 -2.912 1.00 0.00 H new ATOM 719 N ARG A 51 -3.085 -2.037 -4.325 1.00 0.00 N ATOM 720 CA ARG A 51 -4.073 -1.670 -5.332 1.00 0.00 C ATOM 721 C ARG A 51 -3.609 -0.457 -6.133 1.00 0.00 C ATOM 722 O ARG A 51 -3.409 -0.539 -7.344 1.00 0.00 O ATOM 723 CB ARG A 51 -5.420 -1.373 -4.671 1.00 0.00 C ATOM 724 CG ARG A 51 -6.613 -1.620 -5.581 1.00 0.00 C ATOM 725 CD ARG A 51 -6.819 -0.468 -6.553 1.00 0.00 C ATOM 726 NE ARG A 51 -8.224 -0.301 -6.913 1.00 0.00 N ATOM 727 CZ ARG A 51 -8.900 -1.168 -7.659 1.00 0.00 C ATOM 728 NH1 ARG A 51 -8.303 -2.258 -8.120 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.177 -0.947 -7.944 1.00 0.00 N ATOM 0 H ARG A 51 -3.478 -2.271 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.189 -2.512 -6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.521 -1.990 -3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.433 -0.334 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.462 -2.545 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.511 -1.754 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.447 0.454 -6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.232 -0.645 -7.454 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.714 0.527 -6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.322 -2.433 -7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.825 -2.922 -8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.641 -0.110 -7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.694 -1.614 -8.517 1.00 0.00 H new ATOM 743 N GLY A 52 -3.440 0.670 -5.447 1.00 0.00 N ATOM 744 CA GLY A 52 -3.002 1.884 -6.110 1.00 0.00 C ATOM 745 C GLY A 52 -1.674 1.710 -6.820 1.00 0.00 C ATOM 746 O GLY A 52 -1.565 1.970 -8.018 1.00 0.00 O ATOM 0 H GLY A 52 -3.599 0.763 -4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.758 2.193 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.916 2.685 -5.375 1.00 0.00 H new ATOM 750 N ARG A 53 -0.662 1.269 -6.080 1.00 0.00 N ATOM 751 CA ARG A 53 0.666 1.063 -6.646 1.00 0.00 C ATOM 752 C ARG A 53 0.572 0.506 -8.063 1.00 0.00 C ATOM 753 O ARG A 53 1.118 1.082 -9.006 1.00 0.00 O ATOM 754 CB ARG A 53 1.477 0.111 -5.765 1.00 0.00 C ATOM 755 CG ARG A 53 2.188 0.804 -4.614 1.00 0.00 C ATOM 756 CD ARG A 53 3.560 1.310 -5.031 1.00 0.00 C ATOM 757 NE ARG A 53 4.279 1.923 -3.917 1.00 0.00 N ATOM 758 CZ ARG A 53 5.423 2.584 -4.056 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.975 2.717 -5.254 1.00 0.00 N ATOM 760 NH2 ARG A 53 6.017 3.114 -2.994 1.00 0.00 N ATOM 0 H ARG A 53 -0.736 1.047 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 53 1.170 2.028 -6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.812 -0.654 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.216 -0.401 -6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.583 1.639 -4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.293 0.111 -3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.146 0.482 -5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.449 2.037 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 53 3.881 1.839 -2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.521 2.311 -6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.853 3.225 -5.357 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.595 3.014 -2.071 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.895 3.621 -3.101 1.00 0.00 H new ATOM 774 N LEU A 54 -0.122 -0.617 -8.207 1.00 0.00 N ATOM 775 CA LEU A 54 -0.288 -1.253 -9.510 1.00 0.00 C ATOM 776 C LEU A 54 -0.990 -0.316 -10.488 1.00 0.00 C ATOM 777 O LEU A 54 -0.442 0.027 -11.537 1.00 0.00 O ATOM 778 CB LEU A 54 -1.084 -2.551 -9.368 1.00 0.00 C ATOM 779 CG LEU A 54 -0.301 -3.769 -8.877 1.00 0.00 C ATOM 780 CD1 LEU A 54 -1.245 -4.916 -8.554 1.00 0.00 C ATOM 781 CD2 LEU A 54 0.726 -4.197 -9.915 1.00 0.00 C ATOM 0 H LEU A 54 -0.579 -1.107 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 54 0.702 -1.483 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.910 -2.373 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.523 -2.792 -10.336 1.00 0.00 H new ATOM 0 HG LEU A 54 0.228 -3.493 -7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.670 -5.774 -8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.941 -4.606 -7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.802 -5.192 -9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.274 -5.065 -9.548 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.218 -4.454 -10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.423 -3.379 -10.097 1.00 0.00 H new ATOM 793 N LEU A 55 -2.203 0.096 -10.137 1.00 0.00 N ATOM 794 CA LEU A 55 -2.980 0.995 -10.983 1.00 0.00 C ATOM 795 C LEU A 55 -2.076 2.018 -11.664 1.00 0.00 C ATOM 796 O LEU A 55 -2.357 2.466 -12.775 1.00 0.00 O ATOM 797 CB LEU A 55 -4.047 1.712 -10.154 1.00 0.00 C ATOM 798 CG LEU A 55 -5.144 0.827 -9.562 1.00 0.00 C ATOM 799 CD1 LEU A 55 -5.977 1.608 -8.559 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.026 0.261 -10.665 1.00 0.00 C ATOM 0 H LEU A 55 -2.670 -0.178 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.468 0.398 -11.754 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.552 2.237 -9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.518 2.469 -10.781 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.671 -0.005 -9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.753 0.961 -8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.336 1.963 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.441 2.460 -9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.801 -0.366 -10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.490 1.079 -11.215 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.419 -0.336 -11.346 1.00 0.00 H new ATOM 812 N GLU A 56 -0.989 2.382 -10.990 1.00 0.00 N ATOM 813 CA GLU A 56 -0.044 3.351 -11.532 1.00 0.00 C ATOM 814 C GLU A 56 0.704 2.772 -12.729 1.00 0.00 C ATOM 815 O GLU A 56 0.525 3.219 -13.862 1.00 0.00 O ATOM 816 CB GLU A 56 0.953 3.782 -10.454 1.00 0.00 C ATOM 817 CG GLU A 56 1.888 4.893 -10.899 1.00 0.00 C ATOM 818 CD GLU A 56 2.530 5.618 -9.732 1.00 0.00 C ATOM 819 OE1 GLU A 56 1.823 6.393 -9.054 1.00 0.00 O ATOM 820 OE2 GLU A 56 3.739 5.411 -9.497 1.00 0.00 O ATOM 0 H GLU A 56 -0.742 2.021 -10.069 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.608 4.222 -11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.402 4.113 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.546 2.918 -10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.668 4.474 -11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.333 5.609 -11.506 1.00 0.00 H new ATOM 827 N ARG A 57 1.542 1.773 -12.469 1.00 0.00 N ATOM 828 CA ARG A 57 2.318 1.133 -13.524 1.00 0.00 C ATOM 829 C ARG A 57 1.412 0.668 -14.660 1.00 0.00 C ATOM 830 O ARG A 57 1.826 0.619 -15.817 1.00 0.00 O ATOM 831 CB ARG A 57 3.100 -0.055 -12.961 1.00 0.00 C ATOM 832 CG ARG A 57 2.228 -1.074 -12.247 1.00 0.00 C ATOM 833 CD ARG A 57 2.880 -2.448 -12.227 1.00 0.00 C ATOM 834 NE ARG A 57 3.981 -2.518 -11.270 1.00 0.00 N ATOM 835 CZ ARG A 57 5.250 -2.293 -11.592 1.00 0.00 C ATOM 836 NH1 ARG A 57 5.576 -1.984 -12.839 1.00 0.00 N ATOM 837 NH2 ARG A 57 6.195 -2.375 -10.665 1.00 0.00 N ATOM 0 H ARG A 57 1.700 1.390 -11.537 1.00 0.00 H new ATOM 0 HA ARG A 57 3.020 1.866 -13.920 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.629 -0.549 -13.775 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.855 0.314 -12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.042 -0.743 -11.225 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.259 -1.137 -12.743 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.132 -3.200 -11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.250 -2.688 -13.224 1.00 0.00 H new ATOM 0 HE ARG A 57 3.764 -2.752 -10.301 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.852 -1.918 -13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.551 -1.812 -13.083 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.948 -2.611 -9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.169 -2.202 -10.913 1.00 0.00 H new ATOM 851 N ASN A 58 0.173 0.326 -14.320 1.00 0.00 N ATOM 852 CA ASN A 58 -0.791 -0.137 -15.311 1.00 0.00 C ATOM 853 C ASN A 58 -1.385 1.038 -16.082 1.00 0.00 C ATOM 854 O ASN A 58 -1.536 0.980 -17.302 1.00 0.00 O ATOM 855 CB ASN A 58 -1.908 -0.933 -14.633 1.00 0.00 C ATOM 856 CG ASN A 58 -1.460 -2.322 -14.221 1.00 0.00 C ATOM 857 OD1 ASN A 58 -1.653 -3.291 -14.954 1.00 0.00 O ATOM 858 ND2 ASN A 58 -0.859 -2.423 -13.041 1.00 0.00 N ATOM 0 H ASN A 58 -0.186 0.361 -13.366 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.268 -0.784 -16.015 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.255 -0.390 -13.754 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.756 -1.014 -15.313 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.536 -3.332 -12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.720 -1.592 -12.467 1.00 0.00 H new ATOM 865 N GLY A 59 -1.718 2.105 -15.362 1.00 0.00 N ATOM 866 CA GLY A 59 -2.291 3.278 -15.995 1.00 0.00 C ATOM 867 C GLY A 59 -3.803 3.313 -15.891 1.00 0.00 C ATOM 868 O GLY A 59 -4.483 3.761 -16.814 1.00 0.00 O ATOM 0 H GLY A 59 -1.601 2.178 -14.351 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.877 4.175 -15.533 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.002 3.298 -17.046 1.00 0.00 H new ATOM 872 N GLU A 60 -4.329 2.839 -14.766 1.00 0.00 N ATOM 873 CA GLU A 60 -5.770 2.816 -14.548 1.00 0.00 C ATOM 874 C GLU A 60 -6.204 3.974 -13.654 1.00 0.00 C ATOM 875 O GLU A 60 -5.377 4.613 -13.003 1.00 0.00 O ATOM 876 CB GLU A 60 -6.192 1.486 -13.920 1.00 0.00 C ATOM 877 CG GLU A 60 -6.275 0.341 -14.916 1.00 0.00 C ATOM 878 CD GLU A 60 -7.182 0.654 -16.090 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.413 0.721 -15.887 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.662 0.830 -17.211 1.00 0.00 O ATOM 0 H GLU A 60 -3.779 2.466 -13.992 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.260 2.924 -15.516 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.482 1.223 -13.135 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.164 1.612 -13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.275 0.112 -15.285 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.639 -0.552 -14.408 1.00 0.00 H new ATOM 887 N ASP A 61 -7.505 4.238 -13.628 1.00 0.00 N ATOM 888 CA ASP A 61 -8.050 5.319 -12.814 1.00 0.00 C ATOM 889 C ASP A 61 -8.790 4.765 -11.601 1.00 0.00 C ATOM 890 O ASP A 61 -9.590 3.836 -11.720 1.00 0.00 O ATOM 891 CB ASP A 61 -8.991 6.190 -13.648 1.00 0.00 C ATOM 892 CG ASP A 61 -9.071 7.613 -13.133 1.00 0.00 C ATOM 893 OD1 ASP A 61 -8.014 8.274 -13.050 1.00 0.00 O ATOM 894 OD2 ASP A 61 -10.189 8.067 -12.814 1.00 0.00 O ATOM 0 H ASP A 61 -8.203 3.719 -14.161 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.219 5.930 -12.462 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.650 6.200 -14.683 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.988 5.749 -13.645 1.00 0.00 H new ATOM 899 N TYR A 62 -8.518 5.339 -10.435 1.00 0.00 N ATOM 900 CA TYR A 62 -9.155 4.901 -9.199 1.00 0.00 C ATOM 901 C TYR A 62 -10.228 5.892 -8.758 1.00 0.00 C ATOM 902 O TYR A 62 -9.962 6.802 -7.972 1.00 0.00 O ATOM 903 CB TYR A 62 -8.112 4.736 -8.093 1.00 0.00 C ATOM 904 CG TYR A 62 -7.087 5.847 -8.057 1.00 0.00 C ATOM 905 CD1 TYR A 62 -5.958 5.804 -8.866 1.00 0.00 C ATOM 906 CD2 TYR A 62 -7.247 6.939 -7.214 1.00 0.00 C ATOM 907 CE1 TYR A 62 -5.019 6.816 -8.836 1.00 0.00 C ATOM 908 CE2 TYR A 62 -6.314 7.957 -7.178 1.00 0.00 C ATOM 909 CZ TYR A 62 -5.201 7.891 -7.990 1.00 0.00 C ATOM 910 OH TYR A 62 -4.268 8.902 -7.958 1.00 0.00 O ATOM 0 H TYR A 62 -7.860 6.110 -10.320 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.630 3.938 -9.387 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.620 4.690 -7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.599 3.784 -8.228 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -5.812 4.965 -9.530 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.116 6.993 -6.575 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.147 6.766 -9.471 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.455 8.800 -6.518 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.697 9.751 -8.195 1.00 0.00 H new ATOM 920 N ILE A 63 -11.440 5.709 -9.270 1.00 0.00 N ATOM 921 CA ILE A 63 -12.554 6.585 -8.928 1.00 0.00 C ATOM 922 C ILE A 63 -13.042 6.324 -7.507 1.00 0.00 C ATOM 923 O ILE A 63 -13.897 5.467 -7.279 1.00 0.00 O ATOM 924 CB ILE A 63 -13.731 6.405 -9.904 1.00 0.00 C ATOM 925 CG1 ILE A 63 -13.292 6.732 -11.333 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.901 7.285 -9.490 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.759 8.138 -11.495 1.00 0.00 C ATOM 0 H ILE A 63 -11.676 4.962 -9.923 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.185 7.608 -9.001 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.054 5.365 -9.872 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.523 6.023 -11.639 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.139 6.594 -12.005 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.725 7.147 -10.189 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -15.226 7.010 -8.487 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.591 8.330 -9.497 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.467 8.299 -12.533 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.533 8.854 -11.220 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.892 8.275 -10.849 1.00 0.00 H new ATOM 939 N CYS A 64 -12.495 7.071 -6.553 1.00 0.00 N ATOM 940 CA CYS A 64 -12.875 6.923 -5.153 1.00 0.00 C ATOM 941 C CYS A 64 -14.373 6.668 -5.020 1.00 0.00 C ATOM 942 O CYS A 64 -15.165 6.998 -5.903 1.00 0.00 O ATOM 943 CB CYS A 64 -12.487 8.174 -4.363 1.00 0.00 C ATOM 944 SG CYS A 64 -13.810 9.420 -4.247 1.00 0.00 S ATOM 0 H CYS A 64 -11.787 7.785 -6.724 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.341 6.064 -4.746 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.192 7.878 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.614 8.629 -4.830 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.469 10.337 -3.391 1.00 0.00 H new ATOM 949 N PRO A 65 -14.773 6.067 -3.890 1.00 0.00 N ATOM 950 CA PRO A 65 -16.179 5.756 -3.613 1.00 0.00 C ATOM 951 C PRO A 65 -17.011 7.008 -3.358 1.00 0.00 C ATOM 952 O PRO A 65 -18.053 7.209 -3.980 1.00 0.00 O ATOM 953 CB PRO A 65 -16.109 4.893 -2.351 1.00 0.00 C ATOM 954 CG PRO A 65 -14.839 5.296 -1.686 1.00 0.00 C ATOM 955 CD PRO A 65 -13.884 5.646 -2.794 1.00 0.00 C ATOM 0 HA PRO A 65 -16.661 5.263 -4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.968 5.069 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.107 3.831 -2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.998 6.148 -1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.445 4.485 -1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.203 6.444 -2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.270 4.792 -3.080 1.00 0.00 H new ATOM 963 N ASN A 66 -16.543 7.846 -2.439 1.00 0.00 N ATOM 964 CA ASN A 66 -17.244 9.080 -2.102 1.00 0.00 C ATOM 965 C ASN A 66 -17.788 9.757 -3.356 1.00 0.00 C ATOM 966 O ASN A 66 -18.825 10.419 -3.318 1.00 0.00 O ATOM 967 CB ASN A 66 -16.310 10.035 -1.356 1.00 0.00 C ATOM 968 CG ASN A 66 -16.824 11.462 -1.355 1.00 0.00 C ATOM 969 OD1 ASN A 66 -16.293 12.325 -2.054 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.862 11.716 -0.567 1.00 0.00 N ATOM 0 H ASN A 66 -15.682 7.693 -1.914 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.084 8.826 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.191 9.694 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.323 10.007 -1.817 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.251 12.658 -0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.270 10.969 -0.005 1.00 0.00 H new ATOM 977 N CYS A 67 -17.080 9.586 -4.468 1.00 0.00 N ATOM 978 CA CYS A 67 -17.489 10.180 -5.735 1.00 0.00 C ATOM 979 C CYS A 67 -18.701 9.452 -6.310 1.00 0.00 C ATOM 980 O CYS A 67 -19.760 10.048 -6.511 1.00 0.00 O ATOM 981 CB CYS A 67 -16.334 10.143 -6.737 1.00 0.00 C ATOM 982 SG CYS A 67 -15.280 11.628 -6.713 1.00 0.00 S ATOM 0 H CYS A 67 -16.220 9.040 -4.517 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.765 11.218 -5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.716 9.269 -6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.741 10.016 -7.740 1.00 0.00 H new ATOM 0 HG CYS A 67 -14.369 11.499 -5.795 1.00 0.00 H new ATOM 987 N THR A 68 -18.537 8.159 -6.573 1.00 0.00 N ATOM 988 CA THR A 68 -19.616 7.350 -7.126 1.00 0.00 C ATOM 989 C THR A 68 -20.791 7.264 -6.159 1.00 0.00 C ATOM 990 O THR A 68 -21.930 7.554 -6.525 1.00 0.00 O ATOM 991 CB THR A 68 -19.134 5.925 -7.459 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.902 5.981 -8.187 1.00 0.00 O ATOM 993 CG2 THR A 68 -20.178 5.178 -8.275 1.00 0.00 C ATOM 0 H THR A 68 -17.668 7.650 -6.412 1.00 0.00 H new ATOM 0 HA THR A 68 -19.941 7.840 -8.044 1.00 0.00 H new ATOM 0 HB THR A 68 -18.977 5.390 -6.522 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.602 5.071 -8.393 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.816 4.175 -8.498 1.00 0.00 H new ATOM 0 HG22 THR A 68 -21.105 5.111 -7.706 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.362 5.713 -9.207 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.506 6.866 -4.924 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.540 6.744 -3.904 1.00 0.00 C ATOM 1003 C ILE A 69 -22.576 7.855 -4.036 1.00 0.00 C ATOM 1004 O ILE A 69 -23.778 7.617 -3.908 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.940 6.783 -2.486 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.027 5.577 -2.261 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.047 6.818 -1.443 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.170 5.689 -1.020 1.00 0.00 C ATOM 0 H ILE A 69 -19.568 6.623 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 69 -22.023 5.779 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.344 7.690 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.638 4.677 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.380 5.455 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.607 6.845 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.661 7.706 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.668 5.927 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.549 4.798 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.532 6.570 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.810 5.780 -0.143 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.103 9.069 -4.295 1.00 0.00 N ATOM 1021 CA LEU A 70 -22.989 10.219 -4.447 1.00 0.00 C ATOM 1022 C LEU A 70 -23.492 10.332 -5.882 1.00 0.00 C ATOM 1023 O LEU A 70 -24.683 10.532 -6.119 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.262 11.504 -4.046 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.634 11.513 -2.652 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.679 12.688 -2.504 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.714 11.563 -1.581 1.00 0.00 C ATOM 0 H LEU A 70 -21.112 9.283 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.847 10.075 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.477 11.697 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -22.968 12.332 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.066 10.591 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.242 12.678 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.886 12.609 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.224 13.620 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.249 11.569 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.309 12.467 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.358 10.689 -1.673 1.00 0.00 H new