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 138:sc= 0.242 USER MOD Set 1.2: A 36 CYS SG : rot -46:sc= -1.78 USER MOD Set 1.3: A 64 CYS SG : rot -67:sc= 0.788 USER MOD Set 1.4: A 67 CYS SG : rot -70:sc= -0.88 USER MOD Set 2.1: A 19 CYS SG : rot 164:sc= 0.754 USER MOD Set 2.2: A 21 CYS SG : rot -82:sc= -0.841 USER MOD Set 2.3: A 41 HIS : no HD1:sc= -0.224 X(o=-0.31,f=-0.43) USER MOD Set 2.4: A 44 CYS SG : rot -166:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.7!) USER MOD Single : A 25 HIS : no HD1:sc= -0.593 X(o=-0.59,f=-0.54) USER MOD Single : A 26 ASN : amide:sc= -0.0137 K(o=-0.014,f=-3.1!) USER MOD Single : A 27 ASN : amide:sc=-0.00567 X(o=-0.0057,f=-0.47) USER MOD Single : A 30 MET CE :methyl -127:sc= -1.61 (180deg=-4.28!) USER MOD Single : A 32 CYS SG : rot 31:sc= 0.26 USER MOD Single : A 48 SER OG : rot 180:sc= -0.493 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 62 TYR OH : rot 180:sc= -2.37 USER MOD Single : A 66 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N ALA A 16 -6.842 21.772 8.543 1.00 0.00 N ATOM 185 CA ALA A 16 -6.280 20.935 7.490 1.00 0.00 C ATOM 186 C ALA A 16 -7.023 19.606 7.391 1.00 0.00 C ATOM 187 O ALA A 16 -6.770 18.683 8.166 1.00 0.00 O ATOM 188 CB ALA A 16 -4.799 20.696 7.740 1.00 0.00 C ATOM 0 HA ALA A 16 -6.397 21.459 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.392 20.070 6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.274 21.651 7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.668 20.196 8.700 1.00 0.00 H new ATOM 194 N LEU A 17 -7.940 19.517 6.434 1.00 0.00 N ATOM 195 CA LEU A 17 -8.721 18.301 6.234 1.00 0.00 C ATOM 196 C LEU A 17 -8.722 17.891 4.764 1.00 0.00 C ATOM 197 O LEU A 17 -9.234 18.614 3.908 1.00 0.00 O ATOM 198 CB LEU A 17 -10.156 18.507 6.719 1.00 0.00 C ATOM 199 CG LEU A 17 -10.313 19.078 8.129 1.00 0.00 C ATOM 200 CD1 LEU A 17 -11.771 19.399 8.417 1.00 0.00 C ATOM 201 CD2 LEU A 17 -9.765 18.104 9.162 1.00 0.00 C ATOM 0 H LEU A 17 -8.161 20.272 5.785 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.260 17.502 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.662 19.173 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.673 17.549 6.677 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.741 20.004 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.862 19.804 9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.131 20.134 7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.367 18.490 8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.885 18.526 10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.310 17.162 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.707 17.925 8.968 1.00 0.00 H new ATOM 213 N TYR A 18 -8.150 16.727 4.480 1.00 0.00 N ATOM 214 CA TYR A 18 -8.085 16.221 3.114 1.00 0.00 C ATOM 215 C TYR A 18 -9.087 15.089 2.905 1.00 0.00 C ATOM 216 O TYR A 18 -9.977 15.181 2.059 1.00 0.00 O ATOM 217 CB TYR A 18 -6.671 15.731 2.796 1.00 0.00 C ATOM 218 CG TYR A 18 -5.711 16.842 2.437 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.783 17.478 1.203 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.733 17.258 3.332 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.908 18.493 0.871 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.855 18.274 3.008 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.946 18.888 1.777 1.00 0.00 C ATOM 224 OH TYR A 18 -3.073 19.900 1.450 1.00 0.00 O ATOM 0 H TYR A 18 -7.725 16.116 5.177 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.340 17.037 2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.281 15.190 3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.719 15.022 1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.536 17.173 0.492 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.658 16.779 4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.976 18.975 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.101 18.586 3.716 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.459 20.057 2.198 1.00 0.00 H new ATOM 234 N CYS A 19 -8.934 14.022 3.681 1.00 0.00 N ATOM 235 CA CYS A 19 -9.824 12.871 3.583 1.00 0.00 C ATOM 236 C CYS A 19 -11.238 13.237 4.025 1.00 0.00 C ATOM 237 O CYS A 19 -11.453 14.270 4.660 1.00 0.00 O ATOM 238 CB CYS A 19 -9.294 11.716 4.436 1.00 0.00 C ATOM 239 SG CYS A 19 -10.197 10.150 4.210 1.00 0.00 S ATOM 0 H CYS A 19 -8.202 13.930 4.385 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.858 12.558 2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.243 11.555 4.197 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.342 12.002 5.487 1.00 0.00 H new ATOM 0 HG CYS A 19 -9.494 9.170 4.694 1.00 0.00 H new ATOM 244 N ILE A 20 -12.198 12.384 3.684 1.00 0.00 N ATOM 245 CA ILE A 20 -13.590 12.617 4.046 1.00 0.00 C ATOM 246 C ILE A 20 -13.812 12.409 5.540 1.00 0.00 C ATOM 247 O ILE A 20 -14.818 12.850 6.097 1.00 0.00 O ATOM 248 CB ILE A 20 -14.539 11.689 3.264 1.00 0.00 C ATOM 249 CG1 ILE A 20 -14.120 10.229 3.443 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.551 12.066 1.790 1.00 0.00 C ATOM 251 CD1 ILE A 20 -15.084 9.243 2.819 1.00 0.00 C ATOM 0 H ILE A 20 -12.037 11.525 3.158 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.813 13.652 3.788 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.548 11.808 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.132 10.086 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.030 10.013 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.226 11.402 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.891 13.096 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.545 11.971 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.724 8.228 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -16.068 9.358 3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.156 9.432 1.748 1.00 0.00 H new ATOM 263 N CYS A 21 -12.865 11.736 6.185 1.00 0.00 N ATOM 264 CA CYS A 21 -12.954 11.470 7.616 1.00 0.00 C ATOM 265 C CYS A 21 -12.461 12.667 8.423 1.00 0.00 C ATOM 266 O CYS A 21 -12.115 12.537 9.598 1.00 0.00 O ATOM 267 CB CYS A 21 -12.138 10.227 7.976 1.00 0.00 C ATOM 268 SG CYS A 21 -10.352 10.392 7.660 1.00 0.00 S ATOM 0 H CYS A 21 -12.026 11.365 5.739 1.00 0.00 H new ATOM 0 HA CYS A 21 -14.001 11.294 7.864 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.290 9.999 9.031 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.520 9.378 7.408 1.00 0.00 H new ATOM 0 HG CYS A 21 -10.109 10.150 6.406 1.00 0.00 H new ATOM 273 N ARG A 22 -12.433 13.833 7.786 1.00 0.00 N ATOM 274 CA ARG A 22 -11.982 15.053 8.444 1.00 0.00 C ATOM 275 C ARG A 22 -10.700 14.803 9.233 1.00 0.00 C ATOM 276 O ARG A 22 -10.628 15.095 10.426 1.00 0.00 O ATOM 277 CB ARG A 22 -13.071 15.587 9.376 1.00 0.00 C ATOM 278 CG ARG A 22 -14.452 15.624 8.742 1.00 0.00 C ATOM 279 CD ARG A 22 -14.544 16.702 7.673 1.00 0.00 C ATOM 280 NE ARG A 22 -14.941 17.992 8.229 1.00 0.00 N ATOM 281 CZ ARG A 22 -16.206 18.364 8.392 1.00 0.00 C ATOM 282 NH1 ARG A 22 -17.191 17.548 8.044 1.00 0.00 N ATOM 283 NH2 ARG A 22 -16.488 19.555 8.906 1.00 0.00 N ATOM 0 H ARG A 22 -12.717 13.958 6.815 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.775 15.796 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.108 14.966 10.271 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.801 16.593 9.697 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.678 14.653 8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.202 15.807 9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.579 16.803 7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.264 16.398 6.913 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.207 18.643 8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.979 16.631 7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.161 17.837 8.170 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.733 20.186 9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.460 19.840 9.031 1.00 0.00 H new ATOM 297 N GLN A 23 -9.691 14.262 8.557 1.00 0.00 N ATOM 298 CA GLN A 23 -8.413 13.972 9.196 1.00 0.00 C ATOM 299 C GLN A 23 -7.252 14.452 8.332 1.00 0.00 C ATOM 300 O GLN A 23 -7.323 14.460 7.102 1.00 0.00 O ATOM 301 CB GLN A 23 -8.280 12.471 9.461 1.00 0.00 C ATOM 302 CG GLN A 23 -9.253 11.950 10.506 1.00 0.00 C ATOM 303 CD GLN A 23 -8.693 10.781 11.293 1.00 0.00 C ATOM 304 OE1 GLN A 23 -7.620 10.263 10.979 1.00 0.00 O ATOM 305 NE2 GLN A 23 -9.417 10.360 12.323 1.00 0.00 N ATOM 0 H GLN A 23 -9.734 14.016 7.568 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.381 14.506 10.146 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.438 11.930 8.528 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.262 12.256 9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.509 12.757 11.193 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.177 11.644 10.016 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.300 10.819 12.547 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.090 9.578 12.890 1.00 0.00 H new ATOM 314 N PRO A 24 -6.156 14.863 8.987 1.00 0.00 N ATOM 315 CA PRO A 24 -4.958 15.353 8.298 1.00 0.00 C ATOM 316 C PRO A 24 -4.220 14.242 7.560 1.00 0.00 C ATOM 317 O PRO A 24 -4.565 13.066 7.681 1.00 0.00 O ATOM 318 CB PRO A 24 -4.095 15.904 9.436 1.00 0.00 C ATOM 319 CG PRO A 24 -4.536 15.152 10.644 1.00 0.00 C ATOM 320 CD PRO A 24 -6.002 14.881 10.452 1.00 0.00 C ATOM 0 HA PRO A 24 -5.200 16.091 7.533 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.034 15.749 9.239 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.243 16.977 9.561 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.978 14.222 10.750 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.362 15.733 11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.297 13.932 10.899 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.617 15.655 10.911 1.00 0.00 H new ATOM 328 N HIS A 25 -3.201 14.621 6.795 1.00 0.00 N ATOM 329 CA HIS A 25 -2.412 13.656 6.038 1.00 0.00 C ATOM 330 C HIS A 25 -1.407 12.948 6.941 1.00 0.00 C ATOM 331 O HIS A 25 -0.382 13.519 7.312 1.00 0.00 O ATOM 332 CB HIS A 25 -1.682 14.352 4.889 1.00 0.00 C ATOM 333 CG HIS A 25 -0.398 13.684 4.503 1.00 0.00 C ATOM 334 ND1 HIS A 25 0.842 14.199 4.815 1.00 0.00 N ATOM 335 CD2 HIS A 25 -0.167 12.534 3.828 1.00 0.00 C ATOM 336 CE1 HIS A 25 1.781 13.396 4.347 1.00 0.00 C ATOM 337 NE2 HIS A 25 1.195 12.377 3.744 1.00 0.00 N ATOM 0 H HIS A 25 -2.902 15.590 6.683 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.092 12.910 5.627 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.339 14.387 4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.474 15.384 5.173 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.915 11.864 3.429 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.846 13.547 4.441 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.676 11.600 3.290 1.00 0.00 H new ATOM 346 N ASN A 26 -1.708 11.702 7.290 1.00 0.00 N ATOM 347 CA ASN A 26 -0.831 10.916 8.151 1.00 0.00 C ATOM 348 C ASN A 26 -0.076 9.864 7.344 1.00 0.00 C ATOM 349 O ASN A 26 -0.376 9.633 6.173 1.00 0.00 O ATOM 350 CB ASN A 26 -1.641 10.241 9.259 1.00 0.00 C ATOM 351 CG ASN A 26 -2.599 11.199 9.941 1.00 0.00 C ATOM 352 OD1 ASN A 26 -2.334 12.398 10.034 1.00 0.00 O ATOM 353 ND2 ASN A 26 -3.719 10.673 10.422 1.00 0.00 N ATOM 0 H ASN A 26 -2.552 11.214 6.990 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.105 11.592 8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.203 9.408 8.838 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.960 9.824 10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.401 11.268 10.891 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.897 9.674 10.322 1.00 0.00 H new ATOM 360 N ASN A 27 0.903 9.229 7.979 1.00 0.00 N ATOM 361 CA ASN A 27 1.701 8.201 7.320 1.00 0.00 C ATOM 362 C ASN A 27 0.836 7.352 6.394 1.00 0.00 C ATOM 363 O ASN A 27 1.260 6.981 5.299 1.00 0.00 O ATOM 364 CB ASN A 27 2.381 7.309 8.361 1.00 0.00 C ATOM 365 CG ASN A 27 3.616 6.620 7.814 1.00 0.00 C ATOM 366 OD1 ASN A 27 3.752 6.434 6.604 1.00 0.00 O ATOM 367 ND2 ASN A 27 4.524 6.238 8.704 1.00 0.00 N ATOM 0 H ASN A 27 1.163 9.408 8.949 1.00 0.00 H new ATOM 0 HA ASN A 27 2.465 8.697 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.658 7.911 9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.673 6.557 8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.376 5.770 8.395 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.370 6.413 9.697 1.00 0.00 H new ATOM 374 N ARG A 28 -0.379 7.049 6.839 1.00 0.00 N ATOM 375 CA ARG A 28 -1.303 6.244 6.051 1.00 0.00 C ATOM 376 C ARG A 28 -1.181 6.574 4.566 1.00 0.00 C ATOM 377 O ARG A 28 -0.996 7.731 4.189 1.00 0.00 O ATOM 378 CB ARG A 28 -2.741 6.475 6.519 1.00 0.00 C ATOM 379 CG ARG A 28 -2.962 6.157 7.989 1.00 0.00 C ATOM 380 CD ARG A 28 -4.342 6.596 8.452 1.00 0.00 C ATOM 381 NE ARG A 28 -4.439 6.649 9.909 1.00 0.00 N ATOM 382 CZ ARG A 28 -5.592 6.689 10.567 1.00 0.00 C ATOM 383 NH1 ARG A 28 -6.739 6.682 9.903 1.00 0.00 N ATOM 384 NH2 ARG A 28 -5.598 6.736 11.894 1.00 0.00 N ATOM 0 H ARG A 28 -0.746 7.349 7.742 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.045 5.195 6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.011 7.515 6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.413 5.861 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.846 5.086 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.200 6.655 8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.568 7.578 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.091 5.906 8.064 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.574 6.656 10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.738 6.646 8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.623 6.713 10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.717 6.741 12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.484 6.767 12.399 1.00 0.00 H new ATOM 398 N PHE A 29 -1.285 5.548 3.727 1.00 0.00 N ATOM 399 CA PHE A 29 -1.185 5.729 2.283 1.00 0.00 C ATOM 400 C PHE A 29 -2.381 6.511 1.748 1.00 0.00 C ATOM 401 O PHE A 29 -3.491 6.400 2.268 1.00 0.00 O ATOM 402 CB PHE A 29 -1.095 4.371 1.583 1.00 0.00 C ATOM 403 CG PHE A 29 -1.248 4.454 0.092 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.180 4.827 -0.708 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.461 4.160 -0.511 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.317 4.904 -2.081 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.603 4.235 -1.884 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.531 4.609 -2.670 1.00 0.00 C ATOM 0 H PHE A 29 -1.438 4.584 4.022 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.279 6.299 2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.133 3.914 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.866 3.713 1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.771 5.060 -0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.304 3.869 0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.524 5.195 -2.693 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.553 4.001 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.642 4.671 -3.743 1.00 0.00 H new ATOM 418 N MET A 30 -2.145 7.302 0.707 1.00 0.00 N ATOM 419 CA MET A 30 -3.203 8.103 0.101 1.00 0.00 C ATOM 420 C MET A 30 -2.994 8.229 -1.405 1.00 0.00 C ATOM 421 O MET A 30 -1.908 7.953 -1.915 1.00 0.00 O ATOM 422 CB MET A 30 -3.249 9.492 0.739 1.00 0.00 C ATOM 423 CG MET A 30 -3.724 9.482 2.183 1.00 0.00 C ATOM 424 SD MET A 30 -3.351 11.020 3.048 1.00 0.00 S ATOM 425 CE MET A 30 -4.605 12.104 2.368 1.00 0.00 C ATOM 0 H MET A 30 -1.231 7.406 0.265 1.00 0.00 H new ATOM 0 HA MET A 30 -4.153 7.599 0.277 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.254 9.936 0.695 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.909 10.131 0.152 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.800 9.308 2.206 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.255 8.651 2.710 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.133 13.004 1.974 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.134 11.590 1.565 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.312 12.378 3.151 1.00 0.00 H new ATOM 435 N ILE A 31 -4.041 8.647 -2.109 1.00 0.00 N ATOM 436 CA ILE A 31 -3.970 8.809 -3.556 1.00 0.00 C ATOM 437 C ILE A 31 -4.804 10.000 -4.016 1.00 0.00 C ATOM 438 O ILE A 31 -5.725 10.432 -3.322 1.00 0.00 O ATOM 439 CB ILE A 31 -4.455 7.544 -4.289 1.00 0.00 C ATOM 440 CG1 ILE A 31 -5.972 7.402 -4.158 1.00 0.00 C ATOM 441 CG2 ILE A 31 -3.752 6.312 -3.740 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.470 7.529 -2.735 1.00 0.00 C ATOM 0 H ILE A 31 -4.947 8.879 -1.702 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.923 8.983 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.209 7.638 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.454 8.162 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.274 6.433 -4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.105 5.426 -4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.676 6.414 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.970 6.212 -2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.554 7.418 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.016 6.752 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.199 8.509 -2.341 1.00 0.00 H new ATOM 454 N CYS A 32 -4.477 10.525 -5.192 1.00 0.00 N ATOM 455 CA CYS A 32 -5.196 11.667 -5.746 1.00 0.00 C ATOM 456 C CYS A 32 -6.280 11.207 -6.716 1.00 0.00 C ATOM 457 O CYS A 32 -5.993 10.555 -7.721 1.00 0.00 O ATOM 458 CB CYS A 32 -4.226 12.611 -6.457 1.00 0.00 C ATOM 459 SG CYS A 32 -3.334 11.854 -7.835 1.00 0.00 S ATOM 0 H CYS A 32 -3.719 10.178 -5.780 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.672 12.200 -4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.781 13.473 -6.827 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.503 12.985 -5.732 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.078 10.940 -8.384 1.00 0.00 H new ATOM 465 N CYS A 33 -7.526 11.550 -6.408 1.00 0.00 N ATOM 466 CA CYS A 33 -8.654 11.172 -7.251 1.00 0.00 C ATOM 467 C CYS A 33 -8.659 11.976 -8.548 1.00 0.00 C ATOM 468 O CYS A 33 -7.955 12.978 -8.671 1.00 0.00 O ATOM 469 CB CYS A 33 -9.971 11.384 -6.502 1.00 0.00 C ATOM 470 SG CYS A 33 -11.412 10.601 -7.294 1.00 0.00 S ATOM 0 H CYS A 33 -7.780 12.089 -5.580 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.551 10.116 -7.500 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.868 10.992 -5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.157 12.454 -6.411 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.152 10.035 -6.387 1.00 0.00 H new ATOM 475 N ASP A 34 -9.457 11.529 -9.511 1.00 0.00 N ATOM 476 CA ASP A 34 -9.554 12.207 -10.799 1.00 0.00 C ATOM 477 C ASP A 34 -10.880 12.952 -10.921 1.00 0.00 C ATOM 478 O ASP A 34 -10.991 13.922 -11.672 1.00 0.00 O ATOM 479 CB ASP A 34 -9.414 11.201 -11.941 1.00 0.00 C ATOM 480 CG ASP A 34 -7.967 10.962 -12.328 1.00 0.00 C ATOM 481 OD1 ASP A 34 -7.436 11.743 -13.145 1.00 0.00 O ATOM 482 OD2 ASP A 34 -7.367 9.994 -11.815 1.00 0.00 O ATOM 0 H ASP A 34 -10.046 10.701 -9.425 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.742 12.932 -10.863 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.869 10.255 -11.646 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.964 11.563 -12.810 1.00 0.00 H new ATOM 487 N ARG A 35 -11.882 12.493 -10.179 1.00 0.00 N ATOM 488 CA ARG A 35 -13.201 13.114 -10.207 1.00 0.00 C ATOM 489 C ARG A 35 -13.250 14.326 -9.281 1.00 0.00 C ATOM 490 O ARG A 35 -13.415 15.460 -9.732 1.00 0.00 O ATOM 491 CB ARG A 35 -14.273 12.103 -9.798 1.00 0.00 C ATOM 492 CG ARG A 35 -14.821 11.292 -10.961 1.00 0.00 C ATOM 493 CD ARG A 35 -15.915 12.046 -11.700 1.00 0.00 C ATOM 494 NE ARG A 35 -15.371 12.953 -12.706 1.00 0.00 N ATOM 495 CZ ARG A 35 -16.040 13.989 -13.201 1.00 0.00 C ATOM 496 NH1 ARG A 35 -17.272 14.246 -12.784 1.00 0.00 N ATOM 497 NH2 ARG A 35 -15.478 14.769 -14.115 1.00 0.00 N ATOM 0 H ARG A 35 -11.806 11.693 -9.551 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.397 13.448 -11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.854 11.422 -9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.095 12.633 -9.316 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.013 11.052 -11.652 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.216 10.345 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.586 11.333 -12.180 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.511 12.613 -10.985 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.425 12.782 -13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.708 13.648 -12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.784 15.042 -13.165 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.531 14.574 -14.439 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.993 15.564 -14.494 1.00 0.00 H new ATOM 511 N CYS A 36 -13.106 14.079 -7.983 1.00 0.00 N ATOM 512 CA CYS A 36 -13.135 15.148 -6.993 1.00 0.00 C ATOM 513 C CYS A 36 -11.741 15.729 -6.779 1.00 0.00 C ATOM 514 O CYS A 36 -11.581 16.758 -6.123 1.00 0.00 O ATOM 515 CB CYS A 36 -13.691 14.628 -5.666 1.00 0.00 C ATOM 516 SG CYS A 36 -12.668 13.339 -4.885 1.00 0.00 S ATOM 0 H CYS A 36 -12.968 13.147 -7.593 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.786 15.938 -7.368 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.793 15.464 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.692 14.230 -5.835 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.320 12.461 -5.778 1.00 0.00 H new ATOM 521 N GLU A 37 -10.736 15.063 -7.338 1.00 0.00 N ATOM 522 CA GLU A 37 -9.355 15.514 -7.209 1.00 0.00 C ATOM 523 C GLU A 37 -9.019 15.826 -5.753 1.00 0.00 C ATOM 524 O GLU A 37 -8.573 16.926 -5.431 1.00 0.00 O ATOM 525 CB GLU A 37 -9.115 16.751 -8.075 1.00 0.00 C ATOM 526 CG GLU A 37 -9.432 16.535 -9.546 1.00 0.00 C ATOM 527 CD GLU A 37 -8.974 17.689 -10.417 1.00 0.00 C ATOM 528 OE1 GLU A 37 -7.970 18.341 -10.060 1.00 0.00 O ATOM 529 OE2 GLU A 37 -9.621 17.940 -11.455 1.00 0.00 O ATOM 0 H GLU A 37 -10.852 14.210 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.704 14.709 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.724 17.572 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.073 17.056 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.954 15.616 -9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.507 16.398 -9.666 1.00 0.00 H new ATOM 536 N GLU A 38 -9.238 14.849 -4.879 1.00 0.00 N ATOM 537 CA GLU A 38 -8.960 15.020 -3.457 1.00 0.00 C ATOM 538 C GLU A 38 -7.991 13.951 -2.960 1.00 0.00 C ATOM 539 O GLU A 38 -7.552 13.092 -3.725 1.00 0.00 O ATOM 540 CB GLU A 38 -10.259 14.962 -2.650 1.00 0.00 C ATOM 541 CG GLU A 38 -10.921 16.317 -2.463 1.00 0.00 C ATOM 542 CD GLU A 38 -10.283 17.129 -1.353 1.00 0.00 C ATOM 543 OE1 GLU A 38 -9.037 17.187 -1.300 1.00 0.00 O ATOM 544 OE2 GLU A 38 -11.031 17.706 -0.536 1.00 0.00 O ATOM 0 H GLU A 38 -9.607 13.932 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.498 15.997 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.958 14.292 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.050 14.531 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.864 16.877 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.978 16.173 -2.241 1.00 0.00 H new ATOM 551 N TRP A 39 -7.662 14.012 -1.675 1.00 0.00 N ATOM 552 CA TRP A 39 -6.744 13.050 -1.075 1.00 0.00 C ATOM 553 C TRP A 39 -7.430 12.264 0.037 1.00 0.00 C ATOM 554 O TRP A 39 -7.861 12.834 1.039 1.00 0.00 O ATOM 555 CB TRP A 39 -5.511 13.767 -0.523 1.00 0.00 C ATOM 556 CG TRP A 39 -4.623 14.330 -1.591 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.581 15.625 -2.024 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.652 13.616 -2.363 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.642 15.758 -3.018 1.00 0.00 N ATOM 560 CE2 TRP A 39 -3.057 14.541 -3.244 1.00 0.00 C ATOM 561 CE3 TRP A 39 -3.224 12.286 -2.394 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -2.060 14.175 -4.144 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.235 11.925 -3.289 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.661 12.866 -4.153 1.00 0.00 C ATOM 0 H TRP A 39 -8.017 14.717 -1.029 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.432 12.350 -1.850 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.833 14.574 0.134 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.937 13.070 0.087 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -5.196 16.426 -1.641 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.417 16.624 -3.508 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.659 11.553 -1.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.617 14.899 -4.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.899 10.899 -3.323 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.889 12.553 -4.840 1.00 0.00 H new ATOM 575 N PHE A 40 -7.528 10.951 -0.147 1.00 0.00 N ATOM 576 CA PHE A 40 -8.163 10.086 0.841 1.00 0.00 C ATOM 577 C PHE A 40 -7.260 8.908 1.192 1.00 0.00 C ATOM 578 O PHE A 40 -6.444 8.472 0.379 1.00 0.00 O ATOM 579 CB PHE A 40 -9.506 9.575 0.314 1.00 0.00 C ATOM 580 CG PHE A 40 -10.316 10.630 -0.383 1.00 0.00 C ATOM 581 CD1 PHE A 40 -11.079 11.530 0.343 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.317 10.720 -1.766 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.826 12.501 -0.296 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.061 11.690 -2.410 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.818 12.581 -1.674 1.00 0.00 C ATOM 0 H PHE A 40 -7.176 10.463 -0.971 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.334 10.672 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.327 8.751 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.085 9.174 1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.090 11.472 1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.730 10.024 -2.347 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.416 13.197 0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.051 11.752 -3.488 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.402 13.338 -2.176 1.00 0.00 H new ATOM 595 N HIS A 41 -7.411 8.396 2.410 1.00 0.00 N ATOM 596 CA HIS A 41 -6.610 7.268 2.870 1.00 0.00 C ATOM 597 C HIS A 41 -7.089 5.966 2.235 1.00 0.00 C ATOM 598 O HIS A 41 -8.276 5.643 2.278 1.00 0.00 O ATOM 599 CB HIS A 41 -6.672 7.159 4.394 1.00 0.00 C ATOM 600 CG HIS A 41 -6.298 8.426 5.101 1.00 0.00 C ATOM 601 ND1 HIS A 41 -7.198 9.173 5.832 1.00 0.00 N ATOM 602 CD2 HIS A 41 -5.114 9.075 5.186 1.00 0.00 C ATOM 603 CE1 HIS A 41 -6.583 10.228 6.335 1.00 0.00 C ATOM 604 NE2 HIS A 41 -5.317 10.192 5.959 1.00 0.00 N ATOM 0 H HIS A 41 -8.081 8.745 3.096 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.577 7.440 2.567 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.682 6.873 4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.006 6.360 4.720 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.183 8.771 4.731 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -7.038 10.991 6.950 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.606 10.881 6.203 1.00 0.00 H new ATOM 612 N GLY A 42 -6.158 5.222 1.646 1.00 0.00 N ATOM 613 CA GLY A 42 -6.506 3.965 1.010 1.00 0.00 C ATOM 614 C GLY A 42 -7.593 3.219 1.756 1.00 0.00 C ATOM 615 O GLY A 42 -8.688 3.013 1.231 1.00 0.00 O ATOM 0 H GLY A 42 -5.169 5.467 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.837 4.157 -0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.618 3.337 0.944 1.00 0.00 H new ATOM 619 N ASP A 43 -7.293 2.811 2.984 1.00 0.00 N ATOM 620 CA ASP A 43 -8.253 2.083 3.805 1.00 0.00 C ATOM 621 C ASP A 43 -9.624 2.751 3.759 1.00 0.00 C ATOM 622 O ASP A 43 -10.634 2.102 3.485 1.00 0.00 O ATOM 623 CB ASP A 43 -7.761 1.998 5.250 1.00 0.00 C ATOM 624 CG ASP A 43 -8.838 1.512 6.201 1.00 0.00 C ATOM 625 OD1 ASP A 43 -9.376 0.409 5.973 1.00 0.00 O ATOM 626 OD2 ASP A 43 -9.142 2.236 7.173 1.00 0.00 O ATOM 0 H ASP A 43 -6.392 2.972 3.433 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.346 1.074 3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.905 1.325 5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.413 2.980 5.571 1.00 0.00 H new ATOM 631 N CYS A 44 -9.652 4.051 4.032 1.00 0.00 N ATOM 632 CA CYS A 44 -10.898 4.808 4.023 1.00 0.00 C ATOM 633 C CYS A 44 -11.649 4.606 2.710 1.00 0.00 C ATOM 634 O CYS A 44 -12.802 4.174 2.702 1.00 0.00 O ATOM 635 CB CYS A 44 -10.616 6.296 4.239 1.00 0.00 C ATOM 636 SG CYS A 44 -10.388 6.765 5.984 1.00 0.00 S ATOM 0 H CYS A 44 -8.825 4.603 4.262 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.523 4.441 4.837 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.721 6.570 3.681 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.441 6.875 3.823 1.00 0.00 H new ATOM 0 HG CYS A 44 -10.444 8.059 6.096 1.00 0.00 H new ATOM 641 N VAL A 45 -10.986 4.921 1.602 1.00 0.00 N ATOM 642 CA VAL A 45 -11.589 4.773 0.283 1.00 0.00 C ATOM 643 C VAL A 45 -11.467 3.339 -0.220 1.00 0.00 C ATOM 644 O VAL A 45 -11.691 3.061 -1.397 1.00 0.00 O ATOM 645 CB VAL A 45 -10.939 5.721 -0.742 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.314 7.165 -0.446 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.428 5.545 -0.746 1.00 0.00 C ATOM 0 H VAL A 45 -10.031 5.280 1.592 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.643 5.030 0.387 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.314 5.469 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.846 7.820 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.397 7.278 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.968 7.433 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.985 6.222 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.033 5.770 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.182 4.516 -1.010 1.00 0.00 H new ATOM 657 N GLY A 46 -11.111 2.429 0.683 1.00 0.00 N ATOM 658 CA GLY A 46 -10.965 1.034 0.312 1.00 0.00 C ATOM 659 C GLY A 46 -9.627 0.743 -0.338 1.00 0.00 C ATOM 660 O GLY A 46 -8.967 -0.240 -0.002 1.00 0.00 O ATOM 0 H GLY A 46 -10.921 2.634 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.077 0.412 1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.766 0.758 -0.374 1.00 0.00 H new ATOM 664 N ILE A 47 -9.227 1.599 -1.272 1.00 0.00 N ATOM 665 CA ILE A 47 -7.959 1.428 -1.972 1.00 0.00 C ATOM 666 C ILE A 47 -6.869 0.943 -1.022 1.00 0.00 C ATOM 667 O ILE A 47 -6.603 1.566 0.005 1.00 0.00 O ATOM 668 CB ILE A 47 -7.501 2.741 -2.634 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.544 3.219 -3.645 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.150 2.550 -3.308 1.00 0.00 C ATOM 671 CD1 ILE A 47 -8.641 2.342 -4.874 1.00 0.00 C ATOM 0 H ILE A 47 -9.762 2.418 -1.562 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.123 0.678 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.396 3.503 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.519 3.258 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.301 4.236 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.839 3.486 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.412 2.250 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.230 1.776 -4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.400 2.741 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.678 2.323 -5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.915 1.329 -4.578 1.00 0.00 H new ATOM 683 N SER A 48 -6.240 -0.174 -1.375 1.00 0.00 N ATOM 684 CA SER A 48 -5.179 -0.745 -0.553 1.00 0.00 C ATOM 685 C SER A 48 -3.809 -0.270 -1.028 1.00 0.00 C ATOM 686 O SER A 48 -3.627 0.061 -2.199 1.00 0.00 O ATOM 687 CB SER A 48 -5.243 -2.273 -0.591 1.00 0.00 C ATOM 688 OG SER A 48 -4.881 -2.768 -1.868 1.00 0.00 O ATOM 0 H SER A 48 -6.446 -0.701 -2.224 1.00 0.00 H new ATOM 0 HA SER A 48 -5.326 -0.407 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.576 -2.687 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.251 -2.604 -0.342 1.00 0.00 H new ATOM 0 HG SER A 48 -4.928 -3.747 -1.865 1.00 0.00 H new ATOM 694 N GLU A 49 -2.849 -0.240 -0.109 1.00 0.00 N ATOM 695 CA GLU A 49 -1.495 0.195 -0.434 1.00 0.00 C ATOM 696 C GLU A 49 -1.067 -0.334 -1.800 1.00 0.00 C ATOM 697 O GLU A 49 -0.468 0.389 -2.596 1.00 0.00 O ATOM 698 CB GLU A 49 -0.513 -0.278 0.640 1.00 0.00 C ATOM 699 CG GLU A 49 0.779 0.522 0.677 1.00 0.00 C ATOM 700 CD GLU A 49 1.585 0.268 1.936 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.111 0.637 3.030 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.692 -0.301 1.826 1.00 0.00 O ATOM 0 H GLU A 49 -2.983 -0.511 0.865 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.488 1.284 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.997 -0.217 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.276 -1.328 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.383 0.270 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.546 1.585 0.607 1.00 0.00 H new ATOM 709 N ALA A 50 -1.377 -1.599 -2.062 1.00 0.00 N ATOM 710 CA ALA A 50 -1.026 -2.224 -3.331 1.00 0.00 C ATOM 711 C ALA A 50 -1.956 -1.760 -4.447 1.00 0.00 C ATOM 712 O ALA A 50 -1.501 -1.301 -5.496 1.00 0.00 O ATOM 713 CB ALA A 50 -1.068 -3.740 -3.202 1.00 0.00 C ATOM 0 H ALA A 50 -1.871 -2.211 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.012 -1.920 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.804 -4.194 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.358 -4.060 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.072 -4.053 -2.917 1.00 0.00 H new ATOM 719 N ARG A 51 -3.259 -1.884 -4.216 1.00 0.00 N ATOM 720 CA ARG A 51 -4.252 -1.479 -5.203 1.00 0.00 C ATOM 721 C ARG A 51 -3.789 -0.240 -5.963 1.00 0.00 C ATOM 722 O ARG A 51 -3.688 -0.252 -7.189 1.00 0.00 O ATOM 723 CB ARG A 51 -5.594 -1.202 -4.524 1.00 0.00 C ATOM 724 CG ARG A 51 -6.773 -1.201 -5.483 1.00 0.00 C ATOM 725 CD ARG A 51 -7.419 -2.574 -5.573 1.00 0.00 C ATOM 726 NE ARG A 51 -8.783 -2.505 -6.092 1.00 0.00 N ATOM 727 CZ ARG A 51 -9.689 -3.458 -5.907 1.00 0.00 C ATOM 728 NH1 ARG A 51 -9.378 -4.548 -5.220 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.909 -3.322 -6.410 1.00 0.00 N ATOM 0 H ARG A 51 -3.651 -2.262 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.374 -2.296 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.764 -1.954 -3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.545 -0.236 -4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.512 -0.471 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.438 -0.890 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.818 -3.216 -6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.430 -3.035 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.054 -1.679 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.441 -4.656 -4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.076 -5.279 -5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.152 -2.485 -6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.604 -4.055 -6.267 1.00 0.00 H new ATOM 743 N GLY A 52 -3.509 0.830 -5.226 1.00 0.00 N ATOM 744 CA GLY A 52 -3.061 2.063 -5.847 1.00 0.00 C ATOM 745 C GLY A 52 -1.808 1.871 -6.679 1.00 0.00 C ATOM 746 O GLY A 52 -1.797 2.166 -7.874 1.00 0.00 O ATOM 0 H GLY A 52 -3.584 0.865 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.856 2.458 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.870 2.807 -5.074 1.00 0.00 H new ATOM 750 N ARG A 53 -0.749 1.377 -6.046 1.00 0.00 N ATOM 751 CA ARG A 53 0.515 1.148 -6.735 1.00 0.00 C ATOM 752 C ARG A 53 0.279 0.564 -8.125 1.00 0.00 C ATOM 753 O ARG A 53 0.848 1.033 -9.112 1.00 0.00 O ATOM 754 CB ARG A 53 1.403 0.208 -5.919 1.00 0.00 C ATOM 755 CG ARG A 53 2.254 0.921 -4.881 1.00 0.00 C ATOM 756 CD ARG A 53 3.603 1.328 -5.452 1.00 0.00 C ATOM 757 NE ARG A 53 3.585 2.688 -5.984 1.00 0.00 N ATOM 758 CZ ARG A 53 4.680 3.408 -6.199 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.875 2.900 -5.929 1.00 0.00 N ATOM 760 NH2 ARG A 53 4.582 4.638 -6.687 1.00 0.00 N ATOM 0 H ARG A 53 -0.741 1.128 -5.057 1.00 0.00 H new ATOM 0 HA ARG A 53 1.019 2.108 -6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.774 -0.528 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.056 -0.341 -6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.728 1.805 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.404 0.268 -4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.363 1.253 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.886 0.633 -6.243 1.00 0.00 H new ATOM 0 HE ARG A 53 2.682 3.108 -6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.955 1.954 -5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.714 3.455 -6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.665 5.032 -6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.424 5.190 -6.852 1.00 0.00 H new ATOM 774 N LEU A 54 -0.562 -0.462 -8.195 1.00 0.00 N ATOM 775 CA LEU A 54 -0.874 -1.111 -9.463 1.00 0.00 C ATOM 776 C LEU A 54 -1.466 -0.114 -10.454 1.00 0.00 C ATOM 777 O LEU A 54 -0.947 0.064 -11.557 1.00 0.00 O ATOM 778 CB LEU A 54 -1.850 -2.268 -9.241 1.00 0.00 C ATOM 779 CG LEU A 54 -1.338 -3.422 -8.378 1.00 0.00 C ATOM 780 CD1 LEU A 54 -2.444 -4.435 -8.130 1.00 0.00 C ATOM 781 CD2 LEU A 54 -0.139 -4.089 -9.037 1.00 0.00 C ATOM 0 H LEU A 54 -1.040 -0.862 -7.388 1.00 0.00 H new ATOM 0 HA LEU A 54 0.054 -1.502 -9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.755 -1.871 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.136 -2.667 -10.214 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.021 -3.018 -7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.061 -5.249 -7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.273 -3.950 -7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.792 -4.834 -9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.212 -4.908 -8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.430 -4.479 -10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.661 -3.359 -9.162 1.00 0.00 H new ATOM 793 N LEU A 55 -2.554 0.534 -10.054 1.00 0.00 N ATOM 794 CA LEU A 55 -3.217 1.515 -10.906 1.00 0.00 C ATOM 795 C LEU A 55 -2.195 2.399 -11.615 1.00 0.00 C ATOM 796 O LEU A 55 -2.470 2.948 -12.682 1.00 0.00 O ATOM 797 CB LEU A 55 -4.168 2.380 -10.077 1.00 0.00 C ATOM 798 CG LEU A 55 -5.315 1.643 -9.385 1.00 0.00 C ATOM 799 CD1 LEU A 55 -5.990 2.545 -8.364 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.324 1.145 -10.410 1.00 0.00 C ATOM 0 H LEU A 55 -2.996 0.398 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.790 0.976 -11.660 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.585 2.899 -9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.594 3.143 -10.728 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.904 0.780 -8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.804 2.003 -7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.263 2.852 -7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.388 3.427 -8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.133 0.623 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.730 1.992 -10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.832 0.463 -11.103 1.00 0.00 H new ATOM 812 N GLU A 56 -1.016 2.529 -11.016 1.00 0.00 N ATOM 813 CA GLU A 56 0.047 3.345 -11.592 1.00 0.00 C ATOM 814 C GLU A 56 0.682 2.644 -12.789 1.00 0.00 C ATOM 815 O GLU A 56 0.601 3.128 -13.919 1.00 0.00 O ATOM 816 CB GLU A 56 1.115 3.647 -10.539 1.00 0.00 C ATOM 817 CG GLU A 56 2.019 4.812 -10.906 1.00 0.00 C ATOM 818 CD GLU A 56 3.011 5.150 -9.810 1.00 0.00 C ATOM 819 OE1 GLU A 56 2.638 5.899 -8.883 1.00 0.00 O ATOM 820 OE2 GLU A 56 4.159 4.664 -9.878 1.00 0.00 O ATOM 0 H GLU A 56 -0.772 2.080 -10.133 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.393 4.282 -11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.626 3.863 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.726 2.757 -10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.562 4.572 -11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.407 5.688 -11.120 1.00 0.00 H new ATOM 827 N ARG A 57 1.314 1.504 -12.534 1.00 0.00 N ATOM 828 CA ARG A 57 1.965 0.737 -13.590 1.00 0.00 C ATOM 829 C ARG A 57 0.981 0.410 -14.709 1.00 0.00 C ATOM 830 O ARG A 57 1.308 0.523 -15.889 1.00 0.00 O ATOM 831 CB ARG A 57 2.556 -0.554 -13.022 1.00 0.00 C ATOM 832 CG ARG A 57 1.513 -1.506 -12.459 1.00 0.00 C ATOM 833 CD ARG A 57 2.140 -2.815 -12.007 1.00 0.00 C ATOM 834 NE ARG A 57 2.784 -3.524 -13.110 1.00 0.00 N ATOM 835 CZ ARG A 57 3.079 -4.819 -13.079 1.00 0.00 C ATOM 836 NH1 ARG A 57 2.790 -5.542 -12.006 1.00 0.00 N ATOM 837 NH2 ARG A 57 3.665 -5.392 -14.122 1.00 0.00 N ATOM 0 H ARG A 57 1.390 1.090 -11.605 1.00 0.00 H new ATOM 0 HA ARG A 57 2.770 1.345 -14.003 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.115 -1.064 -13.807 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.268 -0.302 -12.236 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.005 -1.035 -11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.755 -1.707 -13.217 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.875 -2.615 -11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.373 -3.451 -11.566 1.00 0.00 H new ATOM 0 HE ARG A 57 3.020 -2.996 -13.950 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.340 -5.104 -11.202 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.017 -6.536 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.889 -4.838 -14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.891 -6.386 -14.097 1.00 0.00 H new ATOM 851 N ASN A 58 -0.226 0.002 -14.328 1.00 0.00 N ATOM 852 CA ASN A 58 -1.257 -0.344 -15.300 1.00 0.00 C ATOM 853 C ASN A 58 -1.633 0.868 -16.148 1.00 0.00 C ATOM 854 O ASN A 58 -1.817 0.757 -17.360 1.00 0.00 O ATOM 855 CB ASN A 58 -2.498 -0.885 -14.587 1.00 0.00 C ATOM 856 CG ASN A 58 -2.258 -2.247 -13.963 1.00 0.00 C ATOM 857 OD1 ASN A 58 -1.502 -3.061 -14.495 1.00 0.00 O ATOM 858 ND2 ASN A 58 -2.903 -2.500 -12.830 1.00 0.00 N ATOM 0 H ASN A 58 -0.513 -0.097 -13.354 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.857 -1.116 -15.957 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.804 -0.182 -13.812 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.321 -0.954 -15.298 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.782 -3.399 -12.364 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.519 -1.795 -12.426 1.00 0.00 H new ATOM 865 N GLY A 59 -1.745 2.024 -15.502 1.00 0.00 N ATOM 866 CA GLY A 59 -2.097 3.240 -16.213 1.00 0.00 C ATOM 867 C GLY A 59 -3.586 3.521 -16.177 1.00 0.00 C ATOM 868 O GLY A 59 -4.159 3.991 -17.160 1.00 0.00 O ATOM 0 H GLY A 59 -1.598 2.141 -14.499 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.561 4.082 -15.775 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.770 3.159 -17.250 1.00 0.00 H new ATOM 872 N GLU A 60 -4.215 3.231 -15.042 1.00 0.00 N ATOM 873 CA GLU A 60 -5.648 3.453 -14.885 1.00 0.00 C ATOM 874 C GLU A 60 -5.915 4.665 -13.997 1.00 0.00 C ATOM 875 O GLU A 60 -5.084 5.037 -13.169 1.00 0.00 O ATOM 876 CB GLU A 60 -6.317 2.213 -14.289 1.00 0.00 C ATOM 877 CG GLU A 60 -6.688 1.165 -15.325 1.00 0.00 C ATOM 878 CD GLU A 60 -7.834 0.280 -14.875 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.893 0.825 -14.500 1.00 0.00 O ATOM 880 OE2 GLU A 60 -7.671 -0.958 -14.898 1.00 0.00 O ATOM 0 H GLU A 60 -3.755 2.842 -14.219 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.071 3.645 -15.871 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.646 1.765 -13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.217 2.517 -13.754 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.961 1.661 -16.256 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.817 0.545 -15.537 1.00 0.00 H new ATOM 887 N ASP A 61 -7.081 5.276 -14.176 1.00 0.00 N ATOM 888 CA ASP A 61 -7.460 6.445 -13.392 1.00 0.00 C ATOM 889 C ASP A 61 -8.306 6.041 -12.188 1.00 0.00 C ATOM 890 O ASP A 61 -9.479 5.696 -12.328 1.00 0.00 O ATOM 891 CB ASP A 61 -8.230 7.441 -14.260 1.00 0.00 C ATOM 892 CG ASP A 61 -7.509 7.758 -15.556 1.00 0.00 C ATOM 893 OD1 ASP A 61 -6.298 8.054 -15.503 1.00 0.00 O ATOM 894 OD2 ASP A 61 -8.157 7.710 -16.623 1.00 0.00 O ATOM 0 H ASP A 61 -7.780 4.981 -14.858 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.548 6.920 -13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.216 7.035 -14.486 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.386 8.363 -13.699 1.00 0.00 H new ATOM 899 N TYR A 62 -7.702 6.085 -11.006 1.00 0.00 N ATOM 900 CA TYR A 62 -8.398 5.720 -9.778 1.00 0.00 C ATOM 901 C TYR A 62 -9.612 6.616 -9.553 1.00 0.00 C ATOM 902 O TYR A 62 -9.555 7.826 -9.778 1.00 0.00 O ATOM 903 CB TYR A 62 -7.450 5.818 -8.581 1.00 0.00 C ATOM 904 CG TYR A 62 -8.153 6.101 -7.273 1.00 0.00 C ATOM 905 CD1 TYR A 62 -8.990 5.155 -6.693 1.00 0.00 C ATOM 906 CD2 TYR A 62 -7.982 7.314 -6.617 1.00 0.00 C ATOM 907 CE1 TYR A 62 -9.635 5.410 -5.498 1.00 0.00 C ATOM 908 CE2 TYR A 62 -8.622 7.576 -5.422 1.00 0.00 C ATOM 909 CZ TYR A 62 -9.448 6.621 -4.866 1.00 0.00 C ATOM 910 OH TYR A 62 -10.088 6.879 -3.676 1.00 0.00 O ATOM 0 H TYR A 62 -6.732 6.370 -10.872 1.00 0.00 H new ATOM 0 HA TYR A 62 -8.742 4.690 -9.878 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.895 4.884 -8.491 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.721 6.606 -8.770 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.139 4.205 -7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.337 8.065 -7.049 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.283 4.664 -5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.477 8.524 -4.925 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.848 7.776 -3.363 1.00 0.00 H new ATOM 920 N ILE A 63 -10.709 6.014 -9.106 1.00 0.00 N ATOM 921 CA ILE A 63 -11.937 6.756 -8.849 1.00 0.00 C ATOM 922 C ILE A 63 -12.486 6.446 -7.461 1.00 0.00 C ATOM 923 O ILE A 63 -13.232 5.484 -7.277 1.00 0.00 O ATOM 924 CB ILE A 63 -13.018 6.438 -9.899 1.00 0.00 C ATOM 925 CG1 ILE A 63 -12.518 6.794 -11.301 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.301 7.191 -9.583 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.412 8.283 -11.546 1.00 0.00 C ATOM 0 H ILE A 63 -10.772 5.014 -8.914 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.684 7.815 -8.909 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.230 5.369 -9.869 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.540 6.338 -11.455 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.192 6.360 -12.039 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.055 6.956 -10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.664 6.894 -8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.105 8.263 -9.589 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.052 8.460 -12.559 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.393 8.743 -11.424 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.715 8.721 -10.831 1.00 0.00 H new ATOM 939 N CYS A 64 -12.114 7.269 -6.486 1.00 0.00 N ATOM 940 CA CYS A 64 -12.569 7.085 -5.113 1.00 0.00 C ATOM 941 C CYS A 64 -14.051 6.723 -5.076 1.00 0.00 C ATOM 942 O CYS A 64 -14.813 7.027 -5.995 1.00 0.00 O ATOM 943 CB CYS A 64 -12.322 8.354 -4.297 1.00 0.00 C ATOM 944 SG CYS A 64 -13.718 9.525 -4.301 1.00 0.00 S ATOM 0 H CYS A 64 -11.498 8.071 -6.622 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.001 6.264 -4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.100 8.073 -3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.438 8.858 -4.688 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.871 10.014 -5.496 1.00 0.00 H new ATOM 949 N PRO A 65 -14.471 6.060 -3.989 1.00 0.00 N ATOM 950 CA PRO A 65 -15.865 5.643 -3.805 1.00 0.00 C ATOM 951 C PRO A 65 -16.796 6.826 -3.563 1.00 0.00 C ATOM 952 O PRO A 65 -17.825 6.963 -4.223 1.00 0.00 O ATOM 953 CB PRO A 65 -15.806 4.747 -2.565 1.00 0.00 C ATOM 954 CG PRO A 65 -14.607 5.215 -1.815 1.00 0.00 C ATOM 955 CD PRO A 65 -13.619 5.665 -2.855 1.00 0.00 C ATOM 0 HA PRO A 65 -16.262 5.145 -4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.711 4.842 -1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.715 3.696 -2.840 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.863 6.032 -1.140 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.192 4.414 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.013 6.498 -2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.932 4.865 -3.129 1.00 0.00 H new ATOM 963 N ASN A 66 -16.427 7.680 -2.613 1.00 0.00 N ATOM 964 CA ASN A 66 -17.231 8.852 -2.284 1.00 0.00 C ATOM 965 C ASN A 66 -17.748 9.529 -3.550 1.00 0.00 C ATOM 966 O ASN A 66 -18.787 10.189 -3.534 1.00 0.00 O ATOM 967 CB ASN A 66 -16.408 9.845 -1.460 1.00 0.00 C ATOM 968 CG ASN A 66 -17.144 11.150 -1.226 1.00 0.00 C ATOM 969 OD1 ASN A 66 -17.400 11.908 -2.162 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.487 11.419 0.028 1.00 0.00 N ATOM 0 H ASN A 66 -15.577 7.582 -2.058 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.087 8.522 -1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.156 9.395 -0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.468 10.048 -1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.983 12.283 0.247 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.254 10.762 0.773 1.00 0.00 H new ATOM 977 N CYS A 67 -17.015 9.361 -4.646 1.00 0.00 N ATOM 978 CA CYS A 67 -17.398 9.955 -5.921 1.00 0.00 C ATOM 979 C CYS A 67 -18.511 9.148 -6.584 1.00 0.00 C ATOM 980 O CYS A 67 -19.658 9.593 -6.656 1.00 0.00 O ATOM 981 CB CYS A 67 -16.188 10.037 -6.853 1.00 0.00 C ATOM 982 SG CYS A 67 -15.246 11.590 -6.713 1.00 0.00 S ATOM 0 H CYS A 67 -16.152 8.818 -4.676 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.768 10.962 -5.728 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.522 9.200 -6.641 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.527 9.922 -7.882 1.00 0.00 H new ATOM 0 HG CYS A 67 -15.947 12.569 -7.203 1.00 0.00 H new ATOM 987 N THR A 68 -18.166 7.960 -7.068 1.00 0.00 N ATOM 988 CA THR A 68 -19.133 7.091 -7.726 1.00 0.00 C ATOM 989 C THR A 68 -20.362 6.875 -6.851 1.00 0.00 C ATOM 990 O THR A 68 -21.496 6.990 -7.317 1.00 0.00 O ATOM 991 CB THR A 68 -18.517 5.723 -8.072 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.354 5.902 -8.889 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.523 4.844 -8.800 1.00 0.00 C ATOM 0 H THR A 68 -17.222 7.577 -7.017 1.00 0.00 H new ATOM 0 HA THR A 68 -19.429 7.591 -8.648 1.00 0.00 H new ATOM 0 HB THR A 68 -18.235 5.231 -7.141 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.967 5.028 -9.103 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.065 3.883 -9.034 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.394 4.685 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 68 -19.832 5.333 -9.724 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.130 6.562 -5.580 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.220 6.331 -4.640 1.00 0.00 C ATOM 1003 C ILE A 69 -22.340 7.348 -4.836 1.00 0.00 C ATOM 1004 O ILE A 69 -23.521 7.003 -4.787 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.729 6.401 -3.182 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -19.820 5.210 -2.869 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -21.911 6.437 -2.225 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.065 5.351 -1.567 1.00 0.00 C ATOM 0 H ILE A 69 -19.198 6.463 -5.178 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.602 5.330 -4.839 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.154 7.318 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.423 4.303 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.105 5.086 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.547 6.486 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.523 7.314 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.511 5.536 -2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.442 4.471 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.435 6.240 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.773 5.445 -0.744 1.00 0.00 H new ATOM 1020 N LEU A 70 -21.961 8.601 -5.059 1.00 0.00 N ATOM 1021 CA LEU A 70 -22.933 9.669 -5.265 1.00 0.00 C ATOM 1022 C LEU A 70 -23.408 9.701 -6.714 1.00 0.00 C ATOM 1023 O LEU A 70 -24.597 9.541 -6.992 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.324 11.020 -4.886 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.786 11.138 -3.460 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.771 12.267 -3.364 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.925 11.357 -2.476 1.00 0.00 C ATOM 0 H LEU A 70 -20.988 8.903 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.793 9.473 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.511 11.236 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.081 11.791 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.286 10.204 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.399 12.336 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.940 12.067 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.246 13.208 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.523 11.439 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.455 12.275 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.615 10.515 -2.525 1.00 0.00 H new