USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 761 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 65 TYR OH : rot 180:sc= 0.0887 USER MOD Set 1.2: A 102 GLN : amide:sc= 0.424 K(o=1.1,f=0.6) USER MOD Set 1.3: A 147 ASN : amide:sc= 0.594 K(o=1.1,f=0.6) USER MOD Set 2.1: A 80 CYS SG : rot -83:sc= 0.638 USER MOD Set 2.2: A 82 THR OG1 : rot 149:sc= 0.586 USER MOD Single : A 19 THR OG1 : rot -36:sc= 0.135 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00512 X(o=-0.0051,f=0.29) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -124:sc= 0 (180deg=-0.0426) USER MOD Single : A 41 THR OG1 : rot -45:sc= 0.819 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : A 59 TYR OH : rot 138:sc= 0.602 USER MOD Single : A 61 CYS SG : rot -57:sc= -0.0896 USER MOD Single : A 67 TYR OH : rot -156:sc= 0.207 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.1!) USER MOD Single : A 73 SER OG : rot 39:sc= 1.1 USER MOD Single : A 76 SER OG : rot -160:sc= 0.66 USER MOD Single : A 81 GLN : amide:sc= 0.781 K(o=0.78,f=-2.2!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -160:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00237 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 105 MET CE :methyl 154:sc= 0 (180deg=-0.0467) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 CYS SG : rot -90:sc= -0.205 USER MOD Single : A 145 ASN : amide:sc= 0.636 K(o=0.64,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.095 -0.232 -11.412 1.00 0.00 N ATOM 234 CA THR A 19 6.470 1.110 -11.517 1.00 0.00 C ATOM 235 C THR A 19 4.965 1.132 -11.265 1.00 0.00 C ATOM 236 O THR A 19 4.431 2.190 -10.929 1.00 0.00 O ATOM 237 CB THR A 19 6.778 1.765 -12.869 1.00 0.00 C ATOM 238 OG1 THR A 19 6.412 0.891 -13.915 1.00 0.00 O ATOM 239 CG2 THR A 19 8.261 2.108 -13.017 1.00 0.00 C ATOM 0 HA THR A 19 6.924 1.687 -10.712 1.00 0.00 H new ATOM 0 HB THR A 19 6.204 2.691 -12.918 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.590 -0.034 -13.645 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.432 2.570 -13.989 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.554 2.802 -12.229 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.855 1.197 -12.938 1.00 0.00 H new ATOM 247 N LYS A 20 4.293 -0.018 -11.351 1.00 0.00 N ATOM 248 CA LYS A 20 2.901 -0.219 -10.931 1.00 0.00 C ATOM 249 C LYS A 20 2.834 -1.259 -9.802 1.00 0.00 C ATOM 250 O LYS A 20 3.535 -2.273 -9.838 1.00 0.00 O ATOM 251 CB LYS A 20 2.028 -0.668 -12.115 1.00 0.00 C ATOM 252 CG LYS A 20 1.903 0.386 -13.225 1.00 0.00 C ATOM 253 CD LYS A 20 0.949 -0.114 -14.320 1.00 0.00 C ATOM 254 CE LYS A 20 0.813 0.934 -15.431 1.00 0.00 C ATOM 255 NZ LYS A 20 -0.102 0.481 -16.512 1.00 0.00 N ATOM 0 H LYS A 20 4.716 -0.866 -11.728 1.00 0.00 H new ATOM 0 HA LYS A 20 2.516 0.732 -10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.447 -1.581 -12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.032 -0.915 -11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.532 1.323 -12.808 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.884 0.593 -13.653 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.323 -1.049 -14.737 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.030 -0.326 -13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.440 1.866 -15.007 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.796 1.146 -15.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.167 1.218 -17.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.267 -0.395 -16.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.047 0.303 -16.115 1.00 0.00 H new ATOM 269 N PHE A 21 1.969 -1.027 -8.814 1.00 0.00 N ATOM 270 CA PHE A 21 1.881 -1.817 -7.587 1.00 0.00 C ATOM 271 C PHE A 21 0.419 -2.070 -7.220 1.00 0.00 C ATOM 272 O PHE A 21 -0.343 -1.134 -6.983 1.00 0.00 O ATOM 273 CB PHE A 21 2.618 -1.073 -6.462 1.00 0.00 C ATOM 274 CG PHE A 21 4.107 -0.894 -6.695 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.003 -1.909 -6.308 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.601 0.283 -7.293 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.385 -1.742 -6.503 1.00 0.00 C ATOM 278 CE2 PHE A 21 5.984 0.446 -7.492 1.00 0.00 C ATOM 279 CZ PHE A 21 6.878 -0.564 -7.090 1.00 0.00 C ATOM 0 H PHE A 21 1.293 -0.264 -8.847 1.00 0.00 H new ATOM 0 HA PHE A 21 2.352 -2.788 -7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.163 -0.091 -6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.472 -1.616 -5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.628 -2.817 -5.861 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.917 1.061 -7.599 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.070 -2.521 -6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.360 1.347 -7.954 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.941 -0.434 -7.232 1.00 0.00 H new ATOM 289 N LYS A 22 0.015 -3.340 -7.153 1.00 0.00 N ATOM 290 CA LYS A 22 -1.315 -3.723 -6.662 1.00 0.00 C ATOM 291 C LYS A 22 -1.413 -3.412 -5.153 1.00 0.00 C ATOM 292 O LYS A 22 -0.546 -3.814 -4.373 1.00 0.00 O ATOM 293 CB LYS A 22 -1.573 -5.212 -6.978 1.00 0.00 C ATOM 294 CG LYS A 22 -2.081 -5.496 -8.405 1.00 0.00 C ATOM 295 CD LYS A 22 -1.157 -5.016 -9.539 1.00 0.00 C ATOM 296 CE LYS A 22 -1.689 -5.500 -10.899 1.00 0.00 C ATOM 297 NZ LYS A 22 -0.921 -4.924 -12.036 1.00 0.00 N ATOM 0 H LYS A 22 0.595 -4.130 -7.435 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.091 -3.146 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.648 -5.767 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.302 -5.598 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.233 -6.570 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.055 -5.023 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.095 -3.928 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.147 -5.394 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.638 -6.588 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.740 -5.226 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.312 -5.276 -12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.990 -3.887 -12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.077 -5.206 -11.959 1.00 0.00 H new ATOM 311 N VAL A 23 -2.450 -2.677 -4.752 1.00 0.00 N ATOM 312 CA VAL A 23 -2.642 -2.126 -3.395 1.00 0.00 C ATOM 313 C VAL A 23 -4.087 -2.313 -2.926 1.00 0.00 C ATOM 314 O VAL A 23 -4.997 -2.376 -3.751 1.00 0.00 O ATOM 315 CB VAL A 23 -2.265 -0.625 -3.317 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.747 -0.404 -3.407 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.993 0.264 -4.338 1.00 0.00 C ATOM 0 H VAL A 23 -3.214 -2.435 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.973 -2.681 -2.737 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.610 -0.311 -2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.530 0.663 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.255 -0.920 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.378 -0.797 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.671 1.298 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.756 -0.072 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.069 0.197 -4.177 1.00 0.00 H new ATOM 327 N THR A 24 -4.298 -2.366 -1.605 1.00 0.00 N ATOM 328 CA THR A 24 -5.631 -2.409 -0.981 1.00 0.00 C ATOM 329 C THR A 24 -5.689 -1.388 0.140 1.00 0.00 C ATOM 330 O THR A 24 -4.929 -1.486 1.096 1.00 0.00 O ATOM 331 CB THR A 24 -5.955 -3.820 -0.474 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.932 -4.705 -1.573 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.356 -3.909 0.133 1.00 0.00 C ATOM 0 H THR A 24 -3.536 -2.381 -0.927 1.00 0.00 H new ATOM 0 HA THR A 24 -6.387 -2.158 -1.725 1.00 0.00 H new ATOM 0 HB THR A 24 -5.218 -4.071 0.289 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.136 -5.613 -1.266 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.539 -4.927 0.478 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.432 -3.221 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.097 -3.642 -0.621 1.00 0.00 H new ATOM 341 N ASN A 25 -6.573 -0.400 0.019 1.00 0.00 N ATOM 342 CA ASN A 25 -6.768 0.645 1.028 1.00 0.00 C ATOM 343 C ASN A 25 -7.285 0.039 2.344 1.00 0.00 C ATOM 344 O ASN A 25 -8.156 -0.835 2.313 1.00 0.00 O ATOM 345 CB ASN A 25 -7.736 1.700 0.462 1.00 0.00 C ATOM 346 CG ASN A 25 -7.931 2.913 1.372 1.00 0.00 C ATOM 347 OD1 ASN A 25 -9.048 3.295 1.697 1.00 0.00 O ATOM 348 ND2 ASN A 25 -6.866 3.567 1.799 1.00 0.00 N ATOM 0 H ASN A 25 -7.183 -0.299 -0.792 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.818 1.127 1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.363 2.039 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.704 1.232 0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.976 4.386 2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.933 3.253 1.531 1.00 0.00 H new ATOM 355 N VAL A 26 -6.763 0.498 3.486 1.00 0.00 N ATOM 356 CA VAL A 26 -7.139 -0.014 4.818 1.00 0.00 C ATOM 357 C VAL A 26 -7.461 1.109 5.805 1.00 0.00 C ATOM 358 O VAL A 26 -6.962 2.228 5.678 1.00 0.00 O ATOM 359 CB VAL A 26 -6.081 -0.967 5.423 1.00 0.00 C ATOM 360 CG1 VAL A 26 -5.934 -2.261 4.608 1.00 0.00 C ATOM 361 CG2 VAL A 26 -4.694 -0.328 5.598 1.00 0.00 C ATOM 0 H VAL A 26 -6.063 1.239 3.518 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.047 -0.594 4.651 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.467 -1.200 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.181 -2.899 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.889 -2.786 4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.628 -2.017 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.008 -1.059 6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.318 -0.003 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.771 0.532 6.263 1.00 0.00 H new ATOM 371 N ASP A 27 -8.305 0.790 6.791 1.00 0.00 N ATOM 372 CA ASP A 27 -8.658 1.676 7.905 1.00 0.00 C ATOM 373 C ASP A 27 -7.602 1.659 9.037 1.00 0.00 C ATOM 374 O ASP A 27 -6.558 1.012 8.932 1.00 0.00 O ATOM 375 CB ASP A 27 -10.059 1.300 8.423 1.00 0.00 C ATOM 376 CG ASP A 27 -10.015 0.171 9.460 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.514 -0.927 9.134 1.00 0.00 O ATOM 378 OD2 ASP A 27 -10.413 0.420 10.620 1.00 0.00 O ATOM 0 H ASP A 27 -8.774 -0.115 6.838 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.674 2.702 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.527 2.179 8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.684 0.995 7.584 1.00 0.00 H new ATOM 383 N ASP A 28 -7.891 2.341 10.150 1.00 0.00 N ATOM 384 CA ASP A 28 -7.021 2.407 11.333 1.00 0.00 C ATOM 385 C ASP A 28 -6.806 1.040 12.024 1.00 0.00 C ATOM 386 O ASP A 28 -5.760 0.827 12.642 1.00 0.00 O ATOM 387 CB ASP A 28 -7.612 3.436 12.308 1.00 0.00 C ATOM 388 CG ASP A 28 -6.697 3.701 13.514 1.00 0.00 C ATOM 389 OD1 ASP A 28 -5.650 4.368 13.333 1.00 0.00 O ATOM 390 OD2 ASP A 28 -7.046 3.273 14.640 1.00 0.00 O ATOM 0 H ASP A 28 -8.754 2.874 10.258 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.028 2.714 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.790 4.372 11.779 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.580 3.081 12.662 1.00 0.00 H new ATOM 395 N GLU A 29 -7.747 0.099 11.877 1.00 0.00 N ATOM 396 CA GLU A 29 -7.637 -1.285 12.367 1.00 0.00 C ATOM 397 C GLU A 29 -7.074 -2.266 11.313 1.00 0.00 C ATOM 398 O GLU A 29 -6.922 -3.458 11.597 1.00 0.00 O ATOM 399 CB GLU A 29 -8.997 -1.774 12.902 1.00 0.00 C ATOM 400 CG GLU A 29 -9.503 -0.938 14.087 1.00 0.00 C ATOM 401 CD GLU A 29 -10.745 -1.577 14.725 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.592 -2.489 15.573 1.00 0.00 O ATOM 403 OE2 GLU A 29 -11.886 -1.166 14.403 1.00 0.00 O ATOM 0 H GLU A 29 -8.631 0.282 11.401 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.913 -1.271 13.182 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.733 -1.740 12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.909 -2.816 13.209 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.714 -0.845 14.833 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.742 0.070 13.749 1.00 0.00 H new ATOM 410 N GLY A 30 -6.740 -1.790 10.105 1.00 0.00 N ATOM 411 CA GLY A 30 -6.074 -2.574 9.055 1.00 0.00 C ATOM 412 C GLY A 30 -7.005 -3.457 8.211 1.00 0.00 C ATOM 413 O GLY A 30 -6.518 -4.361 7.533 1.00 0.00 O ATOM 0 H GLY A 30 -6.930 -0.828 9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.548 -1.889 8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.320 -3.209 9.520 1.00 0.00 H new ATOM 417 N VAL A 31 -8.318 -3.221 8.240 1.00 0.00 N ATOM 418 CA VAL A 31 -9.335 -3.999 7.510 1.00 0.00 C ATOM 419 C VAL A 31 -9.352 -3.576 6.038 1.00 0.00 C ATOM 420 O VAL A 31 -9.392 -2.385 5.739 1.00 0.00 O ATOM 421 CB VAL A 31 -10.747 -3.823 8.128 1.00 0.00 C ATOM 422 CG1 VAL A 31 -11.780 -4.731 7.438 1.00 0.00 C ATOM 423 CG2 VAL A 31 -10.748 -4.144 9.634 1.00 0.00 C ATOM 0 H VAL A 31 -8.721 -2.461 8.788 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.069 -5.053 7.587 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.020 -2.778 7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.758 -4.582 7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.833 -4.482 6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.481 -5.773 7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.753 -4.010 10.034 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.431 -5.176 9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.060 -3.474 10.149 1.00 0.00 H new ATOM 433 N GLU A 32 -9.326 -4.553 5.126 1.00 0.00 N ATOM 434 CA GLU A 32 -9.344 -4.353 3.670 1.00 0.00 C ATOM 435 C GLU A 32 -10.662 -3.708 3.202 1.00 0.00 C ATOM 436 O GLU A 32 -11.742 -4.274 3.396 1.00 0.00 O ATOM 437 CB GLU A 32 -9.135 -5.704 2.963 1.00 0.00 C ATOM 438 CG GLU A 32 -7.723 -6.269 3.168 1.00 0.00 C ATOM 439 CD GLU A 32 -7.618 -7.690 2.594 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.884 -8.666 3.336 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.266 -7.846 1.401 1.00 0.00 O ATOM 0 H GLU A 32 -9.291 -5.538 5.388 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.534 -3.672 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.866 -6.421 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.322 -5.584 1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.993 -5.621 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.482 -6.282 4.231 1.00 0.00 H new ATOM 448 N LEU A 33 -10.571 -2.527 2.573 1.00 0.00 N ATOM 449 CA LEU A 33 -11.727 -1.727 2.142 1.00 0.00 C ATOM 450 C LEU A 33 -11.996 -1.861 0.639 1.00 0.00 C ATOM 451 O LEU A 33 -13.108 -2.207 0.235 1.00 0.00 O ATOM 452 CB LEU A 33 -11.496 -0.250 2.520 1.00 0.00 C ATOM 453 CG LEU A 33 -11.205 0.009 4.011 1.00 0.00 C ATOM 454 CD1 LEU A 33 -10.974 1.507 4.210 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.340 -0.482 4.919 1.00 0.00 C ATOM 0 H LEU A 33 -9.676 -2.093 2.346 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.610 -2.106 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.662 0.132 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.377 0.324 2.234 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.315 -0.554 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.767 1.707 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.126 1.828 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.865 2.056 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.088 -0.277 5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.263 0.037 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.476 -1.555 4.783 1.00 0.00 H new ATOM 467 N GLY A 34 -10.976 -1.594 -0.182 1.00 0.00 N ATOM 468 CA GLY A 34 -11.040 -1.677 -1.648 1.00 0.00 C ATOM 469 C GLY A 34 -9.668 -1.728 -2.317 1.00 0.00 C ATOM 470 O GLY A 34 -8.713 -1.118 -1.840 1.00 0.00 O ATOM 0 H GLY A 34 -10.059 -1.307 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.605 -2.565 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.589 -0.816 -2.029 1.00 0.00 H new ATOM 474 N SER A 35 -9.571 -2.452 -3.430 1.00 0.00 N ATOM 475 CA SER A 35 -8.323 -2.695 -4.169 1.00 0.00 C ATOM 476 C SER A 35 -8.145 -1.776 -5.398 1.00 0.00 C ATOM 477 O SER A 35 -9.114 -1.302 -5.999 1.00 0.00 O ATOM 478 CB SER A 35 -8.239 -4.181 -4.558 1.00 0.00 C ATOM 479 OG SER A 35 -9.382 -4.625 -5.284 1.00 0.00 O ATOM 0 H SER A 35 -10.380 -2.901 -3.860 1.00 0.00 H new ATOM 0 HA SER A 35 -7.496 -2.444 -3.504 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.345 -4.345 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.130 -4.783 -3.656 1.00 0.00 H new ATOM 0 HG SER A 35 -9.279 -5.573 -5.508 1.00 0.00 H new ATOM 485 N GLY A 36 -6.884 -1.529 -5.774 1.00 0.00 N ATOM 486 CA GLY A 36 -6.467 -0.676 -6.892 1.00 0.00 C ATOM 487 C GLY A 36 -5.014 -0.908 -7.310 1.00 0.00 C ATOM 488 O GLY A 36 -4.305 -1.722 -6.711 1.00 0.00 O ATOM 0 H GLY A 36 -6.089 -1.939 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.119 -0.861 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.597 0.370 -6.612 1.00 0.00 H new ATOM 492 N VAL A 37 -4.567 -0.180 -8.333 1.00 0.00 N ATOM 493 CA VAL A 37 -3.185 -0.199 -8.840 1.00 0.00 C ATOM 494 C VAL A 37 -2.568 1.190 -8.669 1.00 0.00 C ATOM 495 O VAL A 37 -2.964 2.152 -9.326 1.00 0.00 O ATOM 496 CB VAL A 37 -3.115 -0.655 -10.316 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.659 -0.679 -10.816 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.721 -2.058 -10.486 1.00 0.00 C ATOM 0 H VAL A 37 -5.170 0.460 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.616 -0.926 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.688 0.062 -10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.637 -1.003 -11.857 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.231 0.320 -10.738 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.077 -1.371 -10.208 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.660 -2.356 -11.533 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.168 -2.770 -9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.765 -2.044 -10.173 1.00 0.00 H new ATOM 508 N MET A 38 -1.579 1.281 -7.783 1.00 0.00 N ATOM 509 CA MET A 38 -0.797 2.485 -7.513 1.00 0.00 C ATOM 510 C MET A 38 0.328 2.629 -8.543 1.00 0.00 C ATOM 511 O MET A 38 0.934 1.642 -8.955 1.00 0.00 O ATOM 512 CB MET A 38 -0.273 2.403 -6.072 1.00 0.00 C ATOM 513 CG MET A 38 0.390 3.701 -5.601 1.00 0.00 C ATOM 514 SD MET A 38 0.824 3.696 -3.842 1.00 0.00 S ATOM 515 CE MET A 38 -0.808 3.980 -3.105 1.00 0.00 C ATOM 0 H MET A 38 -1.289 0.487 -7.211 1.00 0.00 H new ATOM 0 HA MET A 38 -1.413 3.379 -7.606 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.100 2.161 -5.404 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.446 1.587 -5.999 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.292 3.873 -6.189 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.283 4.535 -5.798 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.769 4.860 -2.463 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.541 4.140 -3.895 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.096 3.111 -2.513 1.00 0.00 H new ATOM 525 N GLU A 39 0.600 3.861 -8.957 1.00 0.00 N ATOM 526 CA GLU A 39 1.564 4.216 -9.996 1.00 0.00 C ATOM 527 C GLU A 39 2.313 5.491 -9.590 1.00 0.00 C ATOM 528 O GLU A 39 1.707 6.494 -9.200 1.00 0.00 O ATOM 529 CB GLU A 39 0.818 4.384 -11.330 1.00 0.00 C ATOM 530 CG GLU A 39 1.729 4.809 -12.489 1.00 0.00 C ATOM 531 CD GLU A 39 0.953 4.863 -13.814 1.00 0.00 C ATOM 532 OE1 GLU A 39 -0.057 5.599 -13.895 1.00 0.00 O ATOM 533 OE2 GLU A 39 1.352 4.170 -14.778 1.00 0.00 O ATOM 0 H GLU A 39 0.135 4.678 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 39 2.306 3.427 -10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.331 3.443 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.030 5.127 -11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.160 5.787 -12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.559 4.108 -12.579 1.00 0.00 H new ATOM 540 N LEU A 40 3.643 5.452 -9.665 1.00 0.00 N ATOM 541 CA LEU A 40 4.517 6.571 -9.309 1.00 0.00 C ATOM 542 C LEU A 40 5.213 7.093 -10.572 1.00 0.00 C ATOM 543 O LEU A 40 5.781 6.311 -11.344 1.00 0.00 O ATOM 544 CB LEU A 40 5.531 6.119 -8.239 1.00 0.00 C ATOM 545 CG LEU A 40 5.019 6.169 -6.783 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.977 5.097 -6.434 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.202 6.032 -5.819 1.00 0.00 C ATOM 0 H LEU A 40 4.153 4.627 -9.981 1.00 0.00 H new ATOM 0 HA LEU A 40 3.932 7.387 -8.885 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.840 5.098 -8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.420 6.746 -8.316 1.00 0.00 H new ATOM 0 HG LEU A 40 4.520 7.133 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.675 5.208 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.106 5.213 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.409 4.107 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.840 6.067 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.706 5.081 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.903 6.850 -5.985 1.00 0.00 H new ATOM 559 N THR A 41 5.170 8.414 -10.771 1.00 0.00 N ATOM 560 CA THR A 41 5.766 9.127 -11.917 1.00 0.00 C ATOM 561 C THR A 41 6.700 10.214 -11.401 1.00 0.00 C ATOM 562 O THR A 41 6.527 10.688 -10.285 1.00 0.00 O ATOM 563 CB THR A 41 4.685 9.732 -12.829 1.00 0.00 C ATOM 564 OG1 THR A 41 4.067 10.827 -12.189 1.00 0.00 O ATOM 565 CG2 THR A 41 3.606 8.725 -13.242 1.00 0.00 C ATOM 0 H THR A 41 4.704 9.043 -10.118 1.00 0.00 H new ATOM 0 HA THR A 41 6.331 8.413 -12.516 1.00 0.00 H new ATOM 0 HB THR A 41 5.198 10.052 -13.736 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.858 10.589 -11.262 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.876 9.217 -13.884 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.067 7.899 -13.784 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.107 8.341 -12.352 1.00 0.00 H new ATOM 573 N GLN A 42 7.666 10.665 -12.204 1.00 0.00 N ATOM 574 CA GLN A 42 8.600 11.722 -11.778 1.00 0.00 C ATOM 575 C GLN A 42 7.900 13.071 -11.495 1.00 0.00 C ATOM 576 O GLN A 42 8.513 13.979 -10.934 1.00 0.00 O ATOM 577 CB GLN A 42 9.734 11.848 -12.812 1.00 0.00 C ATOM 578 CG GLN A 42 10.998 12.530 -12.249 1.00 0.00 C ATOM 579 CD GLN A 42 12.198 12.441 -13.196 1.00 0.00 C ATOM 580 OE1 GLN A 42 12.082 12.415 -14.416 1.00 0.00 O ATOM 581 NE2 GLN A 42 13.409 12.384 -12.678 1.00 0.00 N ATOM 0 H GLN A 42 7.826 10.320 -13.150 1.00 0.00 H new ATOM 0 HA GLN A 42 9.031 11.430 -10.820 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.997 10.855 -13.176 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.374 12.417 -13.669 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.779 13.578 -12.047 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.259 12.069 -11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.532 12.404 -11.666 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.223 12.320 -13.290 1.00 0.00 H new ATOM 590 N SER A 43 6.613 13.207 -11.825 1.00 0.00 N ATOM 591 CA SER A 43 5.806 14.390 -11.515 1.00 0.00 C ATOM 592 C SER A 43 4.950 14.257 -10.239 1.00 0.00 C ATOM 593 O SER A 43 4.752 15.262 -9.552 1.00 0.00 O ATOM 594 CB SER A 43 4.871 14.704 -12.696 1.00 0.00 C ATOM 595 OG SER A 43 5.595 14.953 -13.897 1.00 0.00 O ATOM 0 H SER A 43 6.093 12.485 -12.324 1.00 0.00 H new ATOM 0 HA SER A 43 6.520 15.194 -11.338 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.189 13.868 -12.851 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.260 15.574 -12.454 1.00 0.00 H new ATOM 0 HG SER A 43 4.967 15.147 -14.624 1.00 0.00 H new ATOM 601 N GLU A 44 4.431 13.061 -9.911 1.00 0.00 N ATOM 602 CA GLU A 44 3.411 12.855 -8.871 1.00 0.00 C ATOM 603 C GLU A 44 3.078 11.372 -8.616 1.00 0.00 C ATOM 604 O GLU A 44 3.362 10.486 -9.431 1.00 0.00 O ATOM 605 CB GLU A 44 2.117 13.635 -9.209 1.00 0.00 C ATOM 606 CG GLU A 44 1.397 13.161 -10.476 1.00 0.00 C ATOM 607 CD GLU A 44 0.453 14.245 -11.017 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.522 14.611 -10.320 1.00 0.00 O ATOM 609 OE2 GLU A 44 0.686 14.741 -12.144 1.00 0.00 O ATOM 0 H GLU A 44 4.715 12.196 -10.370 1.00 0.00 H new ATOM 0 HA GLU A 44 3.846 13.241 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.430 13.556 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.364 14.691 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.131 12.901 -11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.829 12.256 -10.258 1.00 0.00 H new ATOM 616 N LEU A 45 2.408 11.120 -7.487 1.00 0.00 N ATOM 617 CA LEU A 45 1.807 9.838 -7.124 1.00 0.00 C ATOM 618 C LEU A 45 0.415 9.731 -7.774 1.00 0.00 C ATOM 619 O LEU A 45 -0.363 10.683 -7.705 1.00 0.00 O ATOM 620 CB LEU A 45 1.715 9.766 -5.578 1.00 0.00 C ATOM 621 CG LEU A 45 2.127 8.416 -4.965 1.00 0.00 C ATOM 622 CD1 LEU A 45 2.002 8.464 -3.438 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.294 7.248 -5.499 1.00 0.00 C ATOM 0 H LEU A 45 2.265 11.835 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 45 2.412 9.005 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.345 10.548 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.690 9.986 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 45 3.164 8.247 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.297 7.502 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.651 9.246 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.969 8.678 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.627 6.321 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.242 7.414 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.419 7.176 -6.579 1.00 0.00 H new ATOM 635 N VAL A 46 0.086 8.587 -8.376 1.00 0.00 N ATOM 636 CA VAL A 46 -1.201 8.299 -9.039 1.00 0.00 C ATOM 637 C VAL A 46 -1.761 6.965 -8.515 1.00 0.00 C ATOM 638 O VAL A 46 -1.004 6.074 -8.132 1.00 0.00 O ATOM 639 CB VAL A 46 -1.031 8.258 -10.583 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.385 8.141 -11.308 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.302 9.503 -11.129 1.00 0.00 C ATOM 0 H VAL A 46 0.731 7.798 -8.421 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.906 9.097 -8.806 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.428 7.372 -10.781 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.220 8.116 -12.385 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.887 7.225 -10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.008 9.000 -11.057 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.209 9.424 -12.212 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.872 10.398 -10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.691 9.568 -10.684 1.00 0.00 H new ATOM 651 N LEU A 47 -3.089 6.809 -8.498 1.00 0.00 N ATOM 652 CA LEU A 47 -3.765 5.583 -8.064 1.00 0.00 C ATOM 653 C LEU A 47 -5.020 5.333 -8.909 1.00 0.00 C ATOM 654 O LEU A 47 -5.935 6.156 -8.942 1.00 0.00 O ATOM 655 CB LEU A 47 -4.072 5.677 -6.553 1.00 0.00 C ATOM 656 CG LEU A 47 -3.931 4.353 -5.776 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.365 4.546 -4.321 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.751 3.203 -6.369 1.00 0.00 C ATOM 0 H LEU A 47 -3.734 7.543 -8.790 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.114 4.723 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.405 6.415 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.089 6.049 -6.427 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.877 4.082 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.261 3.604 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.738 5.304 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.406 4.868 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.603 2.304 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.808 3.470 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.427 3.015 -7.393 1.00 0.00 H new ATOM 670 N HIS A 48 -5.047 4.185 -9.579 1.00 0.00 N ATOM 671 CA HIS A 48 -6.119 3.696 -10.448 1.00 0.00 C ATOM 672 C HIS A 48 -6.988 2.657 -9.709 1.00 0.00 C ATOM 673 O HIS A 48 -6.443 1.702 -9.147 1.00 0.00 O ATOM 674 CB HIS A 48 -5.452 3.053 -11.676 1.00 0.00 C ATOM 675 CG HIS A 48 -4.550 3.983 -12.449 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.973 4.946 -13.367 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.188 4.018 -12.365 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.852 5.539 -13.809 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.764 5.001 -13.229 1.00 0.00 N ATOM 0 H HIS A 48 -4.270 3.526 -9.528 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.772 4.517 -10.745 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.871 2.190 -11.350 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.229 2.680 -12.344 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.564 3.395 -11.741 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.827 6.340 -14.533 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.796 5.274 -13.400 1.00 0.00 H new ATOM 687 N LEU A 49 -8.318 2.817 -9.702 1.00 0.00 N ATOM 688 CA LEU A 49 -9.232 1.960 -8.926 1.00 0.00 C ATOM 689 C LEU A 49 -10.282 1.253 -9.799 1.00 0.00 C ATOM 690 O LEU A 49 -10.415 0.032 -9.723 1.00 0.00 O ATOM 691 CB LEU A 49 -9.895 2.775 -7.794 1.00 0.00 C ATOM 692 CG LEU A 49 -8.891 3.396 -6.796 1.00 0.00 C ATOM 693 CD1 LEU A 49 -8.536 4.848 -7.156 1.00 0.00 C ATOM 694 CD2 LEU A 49 -9.461 3.393 -5.375 1.00 0.00 C ATOM 0 H LEU A 49 -8.794 3.545 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.630 1.166 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.493 3.572 -8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.581 2.128 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.992 2.782 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.828 5.241 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.088 4.877 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.440 5.456 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.736 3.835 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.383 3.974 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.670 2.368 -5.069 1.00 0.00 H new ATOM 786 N ALA A 54 -8.711 8.467 -11.746 1.00 0.00 N ATOM 787 CA ALA A 54 -7.536 8.133 -10.942 1.00 0.00 C ATOM 788 C ALA A 54 -7.238 9.219 -9.892 1.00 0.00 C ATOM 789 O ALA A 54 -7.407 10.412 -10.161 1.00 0.00 O ATOM 790 CB ALA A 54 -6.347 7.883 -11.877 1.00 0.00 C ATOM 0 HA ALA A 54 -7.732 7.222 -10.377 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.466 7.633 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.580 7.057 -12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.149 8.781 -12.462 1.00 0.00 H new ATOM 796 N VAL A 55 -6.797 8.807 -8.703 1.00 0.00 N ATOM 797 CA VAL A 55 -6.572 9.689 -7.546 1.00 0.00 C ATOM 798 C VAL A 55 -5.102 10.105 -7.494 1.00 0.00 C ATOM 799 O VAL A 55 -4.223 9.248 -7.420 1.00 0.00 O ATOM 800 CB VAL A 55 -7.002 9.038 -6.212 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.866 10.054 -5.069 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.463 8.554 -6.254 1.00 0.00 C ATOM 0 H VAL A 55 -6.580 7.830 -8.508 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.198 10.572 -7.677 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.351 8.179 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.171 9.589 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.828 10.379 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.502 10.916 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.725 8.103 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.121 9.401 -6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.579 7.815 -7.047 1.00 0.00 H new ATOM 812 N ARG A 56 -4.848 11.416 -7.548 1.00 0.00 N ATOM 813 CA ARG A 56 -3.512 11.993 -7.703 1.00 0.00 C ATOM 814 C ARG A 56 -3.080 12.821 -6.489 1.00 0.00 C ATOM 815 O ARG A 56 -3.850 13.635 -5.966 1.00 0.00 O ATOM 816 CB ARG A 56 -3.486 12.871 -8.961 1.00 0.00 C ATOM 817 CG ARG A 56 -3.729 12.067 -10.248 1.00 0.00 C ATOM 818 CD ARG A 56 -3.815 13.009 -11.451 1.00 0.00 C ATOM 819 NE ARG A 56 -3.920 12.268 -12.722 1.00 0.00 N ATOM 820 CZ ARG A 56 -5.022 11.746 -13.251 1.00 0.00 C ATOM 821 NH1 ARG A 56 -6.177 11.755 -12.619 1.00 0.00 N ATOM 822 NH2 ARG A 56 -4.971 11.200 -14.446 1.00 0.00 N ATOM 0 H ARG A 56 -5.583 12.120 -7.484 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.806 11.167 -7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.246 13.648 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.522 13.375 -9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.922 11.350 -10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.652 11.494 -10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.680 13.663 -11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.933 13.649 -11.475 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.056 12.143 -13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.247 12.172 -11.691 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.001 11.345 -13.057 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.090 11.179 -14.960 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.812 10.797 -14.859 1.00 0.00 H new ATOM 836 N TRP A 57 -1.811 12.666 -6.103 1.00 0.00 N ATOM 837 CA TRP A 57 -1.149 13.438 -5.051 1.00 0.00 C ATOM 838 C TRP A 57 0.214 13.961 -5.552 1.00 0.00 C ATOM 839 O TRP A 57 1.128 13.153 -5.755 1.00 0.00 O ATOM 840 CB TRP A 57 -0.984 12.573 -3.795 1.00 0.00 C ATOM 841 CG TRP A 57 -2.256 12.022 -3.233 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.152 12.715 -2.500 1.00 0.00 C ATOM 843 CD2 TRP A 57 -2.789 10.668 -3.337 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.197 11.890 -2.135 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.004 10.603 -2.590 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.354 9.482 -3.969 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.727 9.409 -2.444 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.079 8.285 -3.841 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.259 8.245 -3.078 1.00 0.00 C ATOM 0 H TRP A 57 -1.195 11.974 -6.530 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.765 14.300 -4.794 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.319 11.742 -4.030 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.492 13.168 -3.025 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.065 13.759 -2.238 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.009 12.194 -1.597 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.450 9.495 -4.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.630 9.385 -1.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.727 7.390 -4.332 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.806 7.319 -2.979 1.00 0.00 H new ATOM 860 N PRO A 58 0.375 15.283 -5.762 1.00 0.00 N ATOM 861 CA PRO A 58 1.651 15.865 -6.163 1.00 0.00 C ATOM 862 C PRO A 58 2.662 15.732 -5.027 1.00 0.00 C ATOM 863 O PRO A 58 2.314 15.880 -3.859 1.00 0.00 O ATOM 864 CB PRO A 58 1.358 17.330 -6.485 1.00 0.00 C ATOM 865 CG PRO A 58 0.122 17.654 -5.651 1.00 0.00 C ATOM 866 CD PRO A 58 -0.635 16.327 -5.615 1.00 0.00 C ATOM 0 HA PRO A 58 2.083 15.360 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.198 17.972 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.170 17.475 -7.549 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.389 17.992 -4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.474 18.445 -6.106 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.179 16.214 -4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.370 16.275 -6.419 1.00 0.00 H new ATOM 874 N TYR A 59 3.929 15.483 -5.351 1.00 0.00 N ATOM 875 CA TYR A 59 4.951 15.239 -4.325 1.00 0.00 C ATOM 876 C TYR A 59 5.209 16.460 -3.426 1.00 0.00 C ATOM 877 O TYR A 59 5.561 16.307 -2.257 1.00 0.00 O ATOM 878 CB TYR A 59 6.237 14.747 -4.998 1.00 0.00 C ATOM 879 CG TYR A 59 6.173 13.402 -5.713 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.259 12.395 -5.328 1.00 0.00 C ATOM 881 CD2 TYR A 59 7.084 13.139 -6.755 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.263 11.144 -5.967 1.00 0.00 C ATOM 883 CE2 TYR A 59 7.091 11.889 -7.399 1.00 0.00 C ATOM 884 CZ TYR A 59 6.186 10.881 -6.999 1.00 0.00 C ATOM 885 OH TYR A 59 6.192 9.656 -7.590 1.00 0.00 O ATOM 0 H TYR A 59 4.275 15.444 -6.310 1.00 0.00 H new ATOM 0 HA TYR A 59 4.575 14.466 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.551 15.500 -5.721 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.017 14.690 -4.238 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.551 12.589 -4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.783 13.904 -7.062 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.558 10.383 -5.667 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.789 11.699 -8.201 1.00 0.00 H new ATOM 0 HH TYR A 59 6.299 9.761 -8.559 1.00 0.00 H new ATOM 895 N LEU A 60 4.920 17.665 -3.931 1.00 0.00 N ATOM 896 CA LEU A 60 4.947 18.914 -3.167 1.00 0.00 C ATOM 897 C LEU A 60 3.824 19.047 -2.122 1.00 0.00 C ATOM 898 O LEU A 60 3.987 19.831 -1.187 1.00 0.00 O ATOM 899 CB LEU A 60 5.065 20.139 -4.093 1.00 0.00 C ATOM 900 CG LEU A 60 4.004 20.207 -5.206 1.00 0.00 C ATOM 901 CD1 LEU A 60 3.537 21.652 -5.416 1.00 0.00 C ATOM 902 CD2 LEU A 60 4.567 19.650 -6.522 1.00 0.00 C ATOM 0 H LEU A 60 4.655 17.800 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 60 5.855 18.875 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.996 21.043 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.054 20.137 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 60 3.152 19.600 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.787 21.681 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.104 22.032 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.388 22.272 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.803 19.706 -7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.434 20.237 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.864 18.611 -6.380 1.00 0.00 H new ATOM 914 N CYS A 61 2.727 18.273 -2.208 1.00 0.00 N ATOM 915 CA CYS A 61 1.739 18.191 -1.112 1.00 0.00 C ATOM 916 C CYS A 61 2.066 17.110 -0.062 1.00 0.00 C ATOM 917 O CYS A 61 1.442 17.096 1.002 1.00 0.00 O ATOM 918 CB CYS A 61 0.309 18.049 -1.666 1.00 0.00 C ATOM 919 SG CYS A 61 -0.128 16.310 -1.972 1.00 0.00 S ATOM 0 H CYS A 61 2.501 17.698 -3.019 1.00 0.00 H new ATOM 0 HA CYS A 61 1.800 19.137 -0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.399 18.483 -0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.221 18.614 -2.594 1.00 0.00 H new ATOM 0 HG CYS A 61 0.729 15.786 -2.797 1.00 0.00 H new ATOM 925 N LEU A 62 3.027 16.214 -0.329 1.00 0.00 N ATOM 926 CA LEU A 62 3.411 15.150 0.601 1.00 0.00 C ATOM 927 C LEU A 62 4.372 15.709 1.656 1.00 0.00 C ATOM 928 O LEU A 62 5.577 15.827 1.423 1.00 0.00 O ATOM 929 CB LEU A 62 4.005 13.940 -0.148 1.00 0.00 C ATOM 930 CG LEU A 62 3.077 13.274 -1.188 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.793 12.058 -1.787 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.735 12.830 -0.589 1.00 0.00 C ATOM 0 H LEU A 62 3.559 16.209 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 62 2.521 14.786 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.916 14.261 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.296 13.189 0.586 1.00 0.00 H new ATOM 0 HG LEU A 62 2.856 14.016 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.146 11.581 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.715 12.380 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.028 11.347 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.125 12.369 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.913 12.108 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.213 13.697 -0.184 1.00 0.00 H new ATOM 944 N ARG A 63 3.831 16.049 2.829 1.00 0.00 N ATOM 945 CA ARG A 63 4.615 16.555 3.966 1.00 0.00 C ATOM 946 C ARG A 63 5.479 15.450 4.589 1.00 0.00 C ATOM 947 O ARG A 63 6.616 15.707 4.994 1.00 0.00 O ATOM 948 CB ARG A 63 3.662 17.176 5.005 1.00 0.00 C ATOM 949 CG ARG A 63 4.373 17.872 6.183 1.00 0.00 C ATOM 950 CD ARG A 63 5.224 19.090 5.784 1.00 0.00 C ATOM 951 NE ARG A 63 4.398 20.177 5.220 1.00 0.00 N ATOM 952 CZ ARG A 63 3.701 21.082 5.902 1.00 0.00 C ATOM 953 NH1 ARG A 63 3.719 21.138 7.218 1.00 0.00 N ATOM 954 NH2 ARG A 63 2.959 21.954 5.257 1.00 0.00 N ATOM 0 H ARG A 63 2.831 15.982 3.021 1.00 0.00 H new ATOM 0 HA ARG A 63 5.300 17.324 3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.020 17.901 4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.013 16.394 5.399 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.623 18.190 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.013 17.146 6.685 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.762 19.459 6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.973 18.786 5.053 1.00 0.00 H new ATOM 0 HE ARG A 63 4.358 20.240 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.281 20.473 7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.171 21.847 7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.919 21.935 4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.423 22.650 5.775 1.00 0.00 H new ATOM 968 N ARG A 64 4.963 14.215 4.625 1.00 0.00 N ATOM 969 CA ARG A 64 5.635 13.031 5.175 1.00 0.00 C ATOM 970 C ARG A 64 5.016 11.730 4.657 1.00 0.00 C ATOM 971 O ARG A 64 3.837 11.674 4.306 1.00 0.00 O ATOM 972 CB ARG A 64 5.687 13.082 6.715 1.00 0.00 C ATOM 973 CG ARG A 64 4.318 13.193 7.404 1.00 0.00 C ATOM 974 CD ARG A 64 4.485 13.293 8.925 1.00 0.00 C ATOM 975 NE ARG A 64 3.198 13.585 9.573 1.00 0.00 N ATOM 976 CZ ARG A 64 2.973 13.842 10.852 1.00 0.00 C ATOM 977 NH1 ARG A 64 3.919 13.813 11.768 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.746 14.144 11.201 1.00 0.00 N ATOM 0 H ARG A 64 4.034 14.005 4.259 1.00 0.00 H new ATOM 0 HA ARG A 64 6.665 13.044 4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.188 12.184 7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.299 13.932 7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.788 14.070 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.709 12.324 7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.889 12.358 9.313 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.204 14.076 9.166 1.00 0.00 H new ATOM 0 HE ARG A 64 2.380 13.590 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.877 13.585 11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.693 14.019 12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.008 14.174 10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.529 14.349 12.176 1.00 0.00 H new ATOM 992 N TYR A 65 5.832 10.684 4.604 1.00 0.00 N ATOM 993 CA TYR A 65 5.519 9.389 3.991 1.00 0.00 C ATOM 994 C TYR A 65 6.361 8.274 4.620 1.00 0.00 C ATOM 995 O TYR A 65 7.454 8.523 5.127 1.00 0.00 O ATOM 996 CB TYR A 65 5.711 9.468 2.468 1.00 0.00 C ATOM 997 CG TYR A 65 7.126 9.796 2.023 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.051 8.758 1.802 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.516 11.135 1.821 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.355 9.047 1.366 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.828 11.435 1.408 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.751 10.390 1.177 1.00 0.00 C ATOM 1003 OH TYR A 65 11.030 10.677 0.806 1.00 0.00 O ATOM 0 H TYR A 65 6.771 10.711 5.002 1.00 0.00 H new ATOM 0 HA TYR A 65 4.474 9.146 4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.418 8.514 2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.035 10.224 2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.756 7.732 1.969 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.807 11.933 1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.053 8.245 1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.129 12.463 1.268 1.00 0.00 H new ATOM 0 HH TYR A 65 11.135 11.647 0.719 1.00 0.00 H new ATOM 1013 N GLY A 66 5.844 7.047 4.617 1.00 0.00 N ATOM 1014 CA GLY A 66 6.396 5.932 5.378 1.00 0.00 C ATOM 1015 C GLY A 66 5.938 4.560 4.914 1.00 0.00 C ATOM 1016 O GLY A 66 5.115 4.412 4.009 1.00 0.00 O ATOM 0 H GLY A 66 5.016 6.797 4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.484 5.975 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.125 6.055 6.426 1.00 0.00 H new ATOM 1020 N TYR A 67 6.472 3.538 5.573 1.00 0.00 N ATOM 1021 CA TYR A 67 6.179 2.142 5.257 1.00 0.00 C ATOM 1022 C TYR A 67 6.464 1.192 6.427 1.00 0.00 C ATOM 1023 O TYR A 67 7.209 1.500 7.362 1.00 0.00 O ATOM 1024 CB TYR A 67 6.925 1.712 3.979 1.00 0.00 C ATOM 1025 CG TYR A 67 8.350 1.236 4.192 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.345 2.132 4.624 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.672 -0.118 3.986 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.657 1.678 4.861 1.00 0.00 C ATOM 1029 CE2 TYR A 67 9.977 -0.583 4.234 1.00 0.00 C ATOM 1030 CZ TYR A 67 10.978 0.317 4.665 1.00 0.00 C ATOM 1031 OH TYR A 67 12.251 -0.121 4.877 1.00 0.00 O ATOM 0 H TYR A 67 7.125 3.654 6.348 1.00 0.00 H new ATOM 0 HA TYR A 67 5.107 2.072 5.073 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.360 0.913 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.940 2.553 3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.101 3.173 4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.914 -0.804 3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.417 2.370 5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.214 -1.628 4.095 1.00 0.00 H new ATOM 0 HH TYR A 67 12.406 -0.939 4.359 1.00 0.00 H new ATOM 1041 N ASP A 68 5.861 0.016 6.337 1.00 0.00 N ATOM 1042 CA ASP A 68 6.098 -1.149 7.189 1.00 0.00 C ATOM 1043 C ASP A 68 6.248 -2.433 6.340 1.00 0.00 C ATOM 1044 O ASP A 68 6.214 -2.383 5.110 1.00 0.00 O ATOM 1045 CB ASP A 68 4.977 -1.241 8.242 1.00 0.00 C ATOM 1046 CG ASP A 68 5.518 -1.729 9.591 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.812 -2.942 9.709 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.661 -0.888 10.510 1.00 0.00 O ATOM 0 H ASP A 68 5.151 -0.165 5.627 1.00 0.00 H new ATOM 0 HA ASP A 68 7.042 -1.038 7.723 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.511 -0.263 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.201 -1.921 7.891 1.00 0.00 H new ATOM 1053 N SER A 69 6.422 -3.595 6.973 1.00 0.00 N ATOM 1054 CA SER A 69 6.800 -4.859 6.306 1.00 0.00 C ATOM 1055 C SER A 69 5.765 -5.426 5.307 1.00 0.00 C ATOM 1056 O SER A 69 6.077 -6.346 4.548 1.00 0.00 O ATOM 1057 CB SER A 69 7.131 -5.923 7.365 1.00 0.00 C ATOM 1058 OG SER A 69 8.178 -5.489 8.229 1.00 0.00 O ATOM 0 H SER A 69 6.304 -3.694 7.981 1.00 0.00 H new ATOM 0 HA SER A 69 7.671 -4.609 5.700 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.240 -6.143 7.953 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.425 -6.850 6.872 1.00 0.00 H new ATOM 0 HG SER A 69 8.365 -6.186 8.892 1.00 0.00 H new ATOM 1064 N ASN A 70 4.546 -4.873 5.277 1.00 0.00 N ATOM 1065 CA ASN A 70 3.454 -5.224 4.353 1.00 0.00 C ATOM 1066 C ASN A 70 2.439 -4.072 4.147 1.00 0.00 C ATOM 1067 O ASN A 70 1.298 -4.299 3.728 1.00 0.00 O ATOM 1068 CB ASN A 70 2.778 -6.527 4.826 1.00 0.00 C ATOM 1069 CG ASN A 70 2.106 -6.445 6.198 1.00 0.00 C ATOM 1070 OD1 ASN A 70 1.854 -5.381 6.753 1.00 0.00 O ATOM 1071 ND2 ASN A 70 1.794 -7.583 6.792 1.00 0.00 N ATOM 0 H ASN A 70 4.279 -4.133 5.926 1.00 0.00 H new ATOM 0 HA ASN A 70 3.887 -5.393 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.030 -6.819 4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.527 -7.319 4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.346 -7.574 7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.002 -8.471 6.335 1.00 0.00 H new ATOM 1078 N LEU A 71 2.842 -2.836 4.462 1.00 0.00 N ATOM 1079 CA LEU A 71 1.974 -1.659 4.554 1.00 0.00 C ATOM 1080 C LEU A 71 2.721 -0.407 4.078 1.00 0.00 C ATOM 1081 O LEU A 71 3.892 -0.226 4.396 1.00 0.00 O ATOM 1082 CB LEU A 71 1.521 -1.526 6.027 1.00 0.00 C ATOM 1083 CG LEU A 71 0.362 -0.540 6.275 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -0.980 -1.120 5.808 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.255 -0.221 7.773 1.00 0.00 C ATOM 0 H LEU A 71 3.818 -2.621 4.667 1.00 0.00 H new ATOM 0 HA LEU A 71 1.101 -1.769 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.222 -2.510 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.376 -1.213 6.626 1.00 0.00 H new ATOM 0 HG LEU A 71 0.577 0.364 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.774 -0.398 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.932 -1.334 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.188 -2.040 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.566 0.476 7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.068 -1.140 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.187 0.228 8.117 1.00 0.00 H new ATOM 1097 N PHE A 72 2.047 0.469 3.340 1.00 0.00 N ATOM 1098 CA PHE A 72 2.585 1.724 2.818 1.00 0.00 C ATOM 1099 C PHE A 72 1.629 2.866 3.174 1.00 0.00 C ATOM 1100 O PHE A 72 0.428 2.768 2.923 1.00 0.00 O ATOM 1101 CB PHE A 72 2.764 1.579 1.299 1.00 0.00 C ATOM 1102 CG PHE A 72 3.140 2.870 0.599 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.426 3.420 0.770 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.192 3.537 -0.199 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.757 4.638 0.150 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.526 4.750 -0.823 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.805 5.301 -0.645 1.00 0.00 C ATOM 0 H PHE A 72 1.073 0.320 3.078 1.00 0.00 H new ATOM 0 HA PHE A 72 3.555 1.953 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.535 0.833 1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.837 1.200 0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.157 2.906 1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.207 3.116 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.741 5.064 0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.799 5.259 -1.439 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.059 6.237 -1.120 1.00 0.00 H new ATOM 1117 N SER A 73 2.142 3.947 3.762 1.00 0.00 N ATOM 1118 CA SER A 73 1.305 5.076 4.216 1.00 0.00 C ATOM 1119 C SER A 73 1.926 6.461 3.968 1.00 0.00 C ATOM 1120 O SER A 73 3.146 6.623 3.943 1.00 0.00 O ATOM 1121 CB SER A 73 0.955 4.885 5.699 1.00 0.00 C ATOM 1122 OG SER A 73 0.042 5.859 6.180 1.00 0.00 O ATOM 0 H SER A 73 3.139 4.072 3.939 1.00 0.00 H new ATOM 0 HA SER A 73 0.399 5.062 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.528 3.892 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.869 4.927 6.291 1.00 0.00 H new ATOM 0 HG SER A 73 -0.628 6.048 5.490 1.00 0.00 H new ATOM 1128 N PHE A 74 1.081 7.484 3.788 1.00 0.00 N ATOM 1129 CA PHE A 74 1.512 8.863 3.517 1.00 0.00 C ATOM 1130 C PHE A 74 0.485 9.925 3.937 1.00 0.00 C ATOM 1131 O PHE A 74 -0.719 9.666 4.004 1.00 0.00 O ATOM 1132 CB PHE A 74 1.916 9.008 2.037 1.00 0.00 C ATOM 1133 CG PHE A 74 0.815 8.668 1.052 1.00 0.00 C ATOM 1134 CD1 PHE A 74 0.663 7.343 0.599 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -0.075 9.663 0.607 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -0.375 7.014 -0.288 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -1.118 9.334 -0.278 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.270 8.008 -0.719 1.00 0.00 C ATOM 0 H PHE A 74 0.067 7.377 3.827 1.00 0.00 H new ATOM 0 HA PHE A 74 2.384 9.053 4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.241 10.033 1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.773 8.364 1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.347 6.578 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.043 10.682 0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.485 5.998 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.801 10.099 -0.618 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.076 7.753 -1.391 1.00 0.00 H new ATOM 1148 N GLU A 75 0.987 11.133 4.213 1.00 0.00 N ATOM 1149 CA GLU A 75 0.216 12.323 4.576 1.00 0.00 C ATOM 1150 C GLU A 75 0.216 13.328 3.416 1.00 0.00 C ATOM 1151 O GLU A 75 1.270 13.685 2.890 1.00 0.00 O ATOM 1152 CB GLU A 75 0.826 12.964 5.833 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.010 14.142 6.350 1.00 0.00 C ATOM 1154 CD GLU A 75 0.602 14.722 7.628 1.00 0.00 C ATOM 1155 OE1 GLU A 75 0.538 14.051 8.684 1.00 0.00 O ATOM 1156 OE2 GLU A 75 1.174 15.833 7.582 1.00 0.00 O ATOM 0 H GLU A 75 1.990 11.315 4.188 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.814 12.034 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.912 12.211 6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.836 13.308 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.068 14.916 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.030 13.812 6.547 1.00 0.00 H new ATOM 1163 N SER A 76 -0.966 13.819 3.050 1.00 0.00 N ATOM 1164 CA SER A 76 -1.172 14.787 1.965 1.00 0.00 C ATOM 1165 C SER A 76 -1.774 16.092 2.504 1.00 0.00 C ATOM 1166 O SER A 76 -2.717 16.074 3.302 1.00 0.00 O ATOM 1167 CB SER A 76 -2.106 14.200 0.896 1.00 0.00 C ATOM 1168 OG SER A 76 -1.614 12.965 0.402 1.00 0.00 O ATOM 0 H SER A 76 -1.835 13.549 3.511 1.00 0.00 H new ATOM 0 HA SER A 76 -0.201 15.003 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.100 14.055 1.319 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.210 14.907 0.073 1.00 0.00 H new ATOM 0 HG SER A 76 -2.024 12.774 -0.467 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.237 17.232 2.060 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.724 18.572 2.406 1.00 0.00 C ATOM 1176 C GLY A 77 -2.990 18.972 1.644 1.00 0.00 C ATOM 1177 O GLY A 77 -3.530 18.213 0.838 1.00 0.00 O ATOM 0 H GLY A 77 -0.432 17.250 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.925 18.613 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.939 19.300 2.201 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.450 20.206 1.869 1.00 0.00 N ATOM 1182 CA ARG A 78 -4.691 20.762 1.293 1.00 0.00 C ATOM 1183 C ARG A 78 -4.649 21.049 -0.229 1.00 0.00 C ATOM 1184 O ARG A 78 -5.601 21.606 -0.776 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.135 21.983 2.129 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.187 23.205 2.127 1.00 0.00 C ATOM 1187 CD ARG A 78 -4.376 24.187 0.960 1.00 0.00 C ATOM 1188 NE ARG A 78 -5.706 24.824 0.996 1.00 0.00 N ATOM 1189 CZ ARG A 78 -6.473 25.156 -0.038 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -6.125 24.912 -1.285 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -7.622 25.759 0.175 1.00 0.00 N ATOM 0 H ARG A 78 -2.961 20.868 2.472 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.448 19.980 1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.110 22.308 1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.270 21.658 3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.322 23.749 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.158 22.845 2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.603 24.955 1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.251 23.658 0.015 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.081 25.034 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.237 24.452 -1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.743 25.183 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.919 25.969 1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.216 26.017 -0.613 1.00 0.00 H new ATOM 1205 N ARG A 79 -3.552 20.698 -0.915 1.00 0.00 N ATOM 1206 CA ARG A 79 -3.258 21.023 -2.326 1.00 0.00 C ATOM 1207 C ARG A 79 -3.556 19.871 -3.316 1.00 0.00 C ATOM 1208 O ARG A 79 -3.131 19.933 -4.471 1.00 0.00 O ATOM 1209 CB ARG A 79 -1.785 21.472 -2.446 1.00 0.00 C ATOM 1210 CG ARG A 79 -1.432 22.708 -1.600 1.00 0.00 C ATOM 1211 CD ARG A 79 0.026 23.118 -1.846 1.00 0.00 C ATOM 1212 NE ARG A 79 0.394 24.316 -1.069 1.00 0.00 N ATOM 1213 CZ ARG A 79 1.566 24.945 -1.104 1.00 0.00 C ATOM 1214 NH1 ARG A 79 2.565 24.521 -1.853 1.00 0.00 N ATOM 1215 NH2 ARG A 79 1.752 26.026 -0.378 1.00 0.00 N ATOM 0 H ARG A 79 -2.806 20.153 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.932 21.831 -2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.139 20.646 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -1.566 21.687 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.097 23.533 -1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.583 22.490 -0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.686 22.293 -1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.175 23.313 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.317 24.699 -0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.452 23.687 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.451 25.027 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.998 26.381 0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.650 26.509 -0.404 1.00 0.00 H new ATOM 1229 N CYS A 80 -4.242 18.805 -2.884 1.00 0.00 N ATOM 1230 CA CYS A 80 -4.437 17.559 -3.646 1.00 0.00 C ATOM 1231 C CYS A 80 -5.915 17.213 -3.919 1.00 0.00 C ATOM 1232 O CYS A 80 -6.831 17.909 -3.477 1.00 0.00 O ATOM 1233 CB CYS A 80 -3.698 16.433 -2.906 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.545 16.030 -1.351 1.00 0.00 S ATOM 0 H CYS A 80 -4.691 18.782 -1.968 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.018 17.694 -4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.646 15.547 -3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.672 16.738 -2.700 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.180 16.869 -0.428 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.137 16.117 -4.650 1.00 0.00 N ATOM 1241 CA GLN A 81 -7.446 15.683 -5.152 1.00 0.00 C ATOM 1242 C GLN A 81 -8.402 15.180 -4.051 1.00 0.00 C ATOM 1243 O GLN A 81 -9.619 15.192 -4.251 1.00 0.00 O ATOM 1244 CB GLN A 81 -7.175 14.603 -6.216 1.00 0.00 C ATOM 1245 CG GLN A 81 -8.389 14.227 -7.084 1.00 0.00 C ATOM 1246 CD GLN A 81 -8.015 13.234 -8.190 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -6.906 13.222 -8.708 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -8.896 12.339 -8.582 1.00 0.00 N ATOM 0 H GLN A 81 -5.384 15.484 -4.919 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.970 16.538 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.374 14.950 -6.869 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.812 13.705 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.165 13.793 -6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.808 15.128 -7.532 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.828 12.325 -8.168 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.647 11.659 -9.300 1.00 0.00 H new ATOM 1257 N THR A 82 -7.870 14.771 -2.889 1.00 0.00 N ATOM 1258 CA THR A 82 -8.629 14.199 -1.759 1.00 0.00 C ATOM 1259 C THR A 82 -8.824 15.159 -0.584 1.00 0.00 C ATOM 1260 O THR A 82 -9.577 14.837 0.337 1.00 0.00 O ATOM 1261 CB THR A 82 -7.939 12.926 -1.257 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.586 13.202 -0.953 1.00 0.00 O ATOM 1263 CG2 THR A 82 -7.961 11.810 -2.299 1.00 0.00 C ATOM 0 H THR A 82 -6.869 14.830 -2.701 1.00 0.00 H new ATOM 0 HA THR A 82 -9.622 13.980 -2.151 1.00 0.00 H new ATOM 0 HB THR A 82 -8.486 12.598 -0.373 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.289 12.619 -0.223 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.461 10.928 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.994 11.561 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.444 12.143 -3.199 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.153 16.317 -0.592 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.063 17.224 0.558 1.00 0.00 C ATOM 1273 C GLY A 83 -7.034 16.751 1.596 1.00 0.00 C ATOM 1274 O GLY A 83 -6.406 15.701 1.440 1.00 0.00 O ATOM 0 H GLY A 83 -7.649 16.656 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.793 18.221 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.042 17.305 1.031 1.00 0.00 H new ATOM 1278 N GLN A 84 -6.850 17.537 2.659 1.00 0.00 N ATOM 1279 CA GLN A 84 -5.854 17.264 3.700 1.00 0.00 C ATOM 1280 C GLN A 84 -6.201 15.989 4.497 1.00 0.00 C ATOM 1281 O GLN A 84 -7.326 15.845 4.985 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.726 18.498 4.612 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.554 18.369 5.599 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.304 19.635 6.429 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -5.198 20.403 6.766 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -3.066 19.920 6.783 1.00 0.00 N ATOM 0 H GLN A 84 -7.391 18.386 2.824 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.889 17.074 3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.587 19.388 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.654 18.635 5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.749 17.536 6.274 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.648 18.125 5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.303 19.298 6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.871 20.762 7.324 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.236 15.069 4.646 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.424 13.801 5.368 1.00 0.00 C ATOM 1297 C GLY A 85 -4.264 12.805 5.256 1.00 0.00 C ATOM 1298 O GLY A 85 -3.193 13.119 4.738 1.00 0.00 O ATOM 0 H GLY A 85 -4.296 15.185 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.590 14.023 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.330 13.322 4.997 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.493 11.589 5.757 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.547 10.454 5.767 1.00 0.00 C ATOM 1304 C ILE A 86 -4.242 9.227 5.157 1.00 0.00 C ATOM 1305 O ILE A 86 -5.430 9.008 5.407 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.054 10.171 7.215 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.300 11.383 7.815 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.156 8.915 7.279 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -1.978 11.243 9.311 1.00 0.00 C ATOM 0 H ILE A 86 -5.385 11.350 6.190 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.668 10.695 5.170 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.948 9.990 7.812 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.369 11.527 7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.900 12.281 7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.832 8.751 8.307 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.718 8.048 6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.283 9.059 6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.450 12.133 9.654 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.905 11.131 9.874 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.351 10.366 9.468 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.503 8.417 4.394 1.00 0.00 N ATOM 1322 CA PHE A 87 -3.984 7.177 3.774 1.00 0.00 C ATOM 1323 C PHE A 87 -2.985 6.035 3.990 1.00 0.00 C ATOM 1324 O PHE A 87 -1.780 6.270 4.112 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.221 7.407 2.272 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.228 8.495 1.958 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.606 8.234 2.081 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.787 9.777 1.577 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.540 9.255 1.833 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.721 10.799 1.337 1.00 0.00 C ATOM 1331 CZ PHE A 87 -7.095 10.538 1.468 1.00 0.00 C ATOM 0 H PHE A 87 -2.524 8.611 4.184 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.925 6.893 4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.271 7.661 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.560 6.474 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.946 7.249 2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.731 9.975 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.597 9.054 1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.383 11.784 1.052 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.812 11.325 1.288 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.472 4.789 4.005 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.639 3.592 4.116 1.00 0.00 C ATOM 1343 C ALA A 88 -3.178 2.427 3.278 1.00 0.00 C ATOM 1344 O ALA A 88 -4.393 2.216 3.157 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.471 3.191 5.586 1.00 0.00 C ATOM 0 H ALA A 88 -4.469 4.584 3.939 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.658 3.838 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.849 2.299 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.996 4.005 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.449 2.984 6.021 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.236 1.674 2.714 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.485 0.585 1.774 1.00 0.00 C ATOM 1353 C PHE A 89 -1.651 -0.651 2.114 1.00 0.00 C ATOM 1354 O PHE A 89 -0.452 -0.557 2.368 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.187 1.044 0.341 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.944 2.281 -0.103 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.471 3.563 0.238 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.135 2.147 -0.839 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.208 4.704 -0.123 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.864 3.291 -1.206 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.406 4.568 -0.843 1.00 0.00 C ATOM 0 H PHE A 89 -1.244 1.811 2.906 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.537 0.311 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.118 1.238 0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.421 0.228 -0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.541 3.669 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.489 1.167 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.853 5.686 0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.780 3.188 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.974 5.444 -1.117 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.287 -1.821 2.093 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.667 -3.114 2.362 1.00 0.00 C ATOM 1373 C LYS A 90 -1.146 -3.722 1.050 1.00 0.00 C ATOM 1374 O LYS A 90 -1.891 -3.816 0.068 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.712 -3.992 3.073 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.072 -5.167 3.823 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.147 -5.955 4.587 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.533 -6.950 5.582 1.00 0.00 C ATOM 1379 NZ LYS A 90 -1.886 -8.111 4.913 1.00 0.00 N ATOM 0 H LYS A 90 -3.282 -1.896 1.881 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.799 -3.023 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.279 -3.381 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.421 -4.375 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.561 -5.823 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.318 -4.797 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.794 -5.260 5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.775 -6.493 3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.796 -6.434 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.311 -7.311 6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.489 -8.749 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.592 -8.623 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.124 -7.773 4.292 1.00 0.00 H new ATOM 1393 N CYS A 91 0.131 -4.109 1.031 1.00 0.00 N ATOM 1394 CA CYS A 91 0.858 -4.585 -0.151 1.00 0.00 C ATOM 1395 C CYS A 91 2.229 -5.170 0.237 1.00 0.00 C ATOM 1396 O CYS A 91 2.961 -4.589 1.038 1.00 0.00 O ATOM 1397 CB CYS A 91 0.990 -3.444 -1.185 1.00 0.00 C ATOM 1398 SG CYS A 91 1.735 -1.959 -0.442 1.00 0.00 S ATOM 0 H CYS A 91 0.711 -4.100 1.870 1.00 0.00 H new ATOM 0 HA CYS A 91 0.290 -5.393 -0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.601 -3.779 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.007 -3.198 -1.586 1.00 0.00 H new ATOM 0 HG CYS A 91 1.455 -0.921 -1.173 1.00 0.00 H new ATOM 1404 N SER A 92 2.607 -6.306 -0.344 1.00 0.00 N ATOM 1405 CA SER A 92 3.853 -7.024 -0.012 1.00 0.00 C ATOM 1406 C SER A 92 5.136 -6.343 -0.524 1.00 0.00 C ATOM 1407 O SER A 92 6.227 -6.641 -0.028 1.00 0.00 O ATOM 1408 CB SER A 92 3.762 -8.458 -0.554 1.00 0.00 C ATOM 1409 OG SER A 92 3.463 -8.461 -1.947 1.00 0.00 O ATOM 0 H SER A 92 2.056 -6.766 -1.068 1.00 0.00 H new ATOM 0 HA SER A 92 3.937 -7.018 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.705 -8.976 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.992 -9.007 -0.012 1.00 0.00 H new ATOM 0 HG SER A 92 3.412 -9.385 -2.269 1.00 0.00 H new ATOM 1415 N ARG A 93 5.015 -5.399 -1.472 1.00 0.00 N ATOM 1416 CA ARG A 93 6.134 -4.653 -2.078 1.00 0.00 C ATOM 1417 C ARG A 93 6.220 -3.196 -1.581 1.00 0.00 C ATOM 1418 O ARG A 93 6.847 -2.357 -2.229 1.00 0.00 O ATOM 1419 CB ARG A 93 6.083 -4.759 -3.618 1.00 0.00 C ATOM 1420 CG ARG A 93 5.968 -6.213 -4.118 1.00 0.00 C ATOM 1421 CD ARG A 93 6.343 -6.373 -5.601 1.00 0.00 C ATOM 1422 NE ARG A 93 7.804 -6.358 -5.792 1.00 0.00 N ATOM 1423 CZ ARG A 93 8.638 -7.390 -5.745 1.00 0.00 C ATOM 1424 NH1 ARG A 93 8.219 -8.635 -5.653 1.00 0.00 N ATOM 1425 NH2 ARG A 93 9.932 -7.179 -5.797 1.00 0.00 N ATOM 0 H ARG A 93 4.108 -5.124 -1.850 1.00 0.00 H new ATOM 0 HA ARG A 93 7.061 -5.120 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.234 -4.185 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.981 -4.306 -4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.615 -6.850 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.947 -6.563 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.935 -7.309 -5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.891 -5.568 -6.181 1.00 0.00 H new ATOM 0 HE ARG A 93 8.224 -5.448 -5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.220 -8.835 -5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.894 -9.399 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.291 -6.227 -5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.579 -7.967 -5.761 1.00 0.00 H new ATOM 1439 N ALA A 94 5.620 -2.879 -0.425 1.00 0.00 N ATOM 1440 CA ALA A 94 5.586 -1.541 0.188 1.00 0.00 C ATOM 1441 C ALA A 94 6.957 -0.838 0.271 1.00 0.00 C ATOM 1442 O ALA A 94 7.038 0.370 0.050 1.00 0.00 O ATOM 1443 CB ALA A 94 4.990 -1.690 1.595 1.00 0.00 C ATOM 0 H ALA A 94 5.125 -3.575 0.132 1.00 0.00 H new ATOM 0 HA ALA A 94 4.979 -0.903 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.950 -0.714 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.983 -2.100 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.613 -2.362 2.185 1.00 0.00 H new ATOM 1449 N GLU A 95 8.031 -1.593 0.525 1.00 0.00 N ATOM 1450 CA GLU A 95 9.405 -1.080 0.567 1.00 0.00 C ATOM 1451 C GLU A 95 9.873 -0.527 -0.790 1.00 0.00 C ATOM 1452 O GLU A 95 10.589 0.473 -0.827 1.00 0.00 O ATOM 1453 CB GLU A 95 10.342 -2.198 1.058 1.00 0.00 C ATOM 1454 CG GLU A 95 11.778 -1.715 1.297 1.00 0.00 C ATOM 1455 CD GLU A 95 12.612 -2.792 2.006 1.00 0.00 C ATOM 1456 OE1 GLU A 95 13.174 -3.677 1.317 1.00 0.00 O ATOM 1457 OE2 GLU A 95 12.714 -2.759 3.255 1.00 0.00 O ATOM 0 H GLU A 95 7.969 -2.594 0.710 1.00 0.00 H new ATOM 0 HA GLU A 95 9.432 -0.240 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.946 -2.616 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.353 -3.004 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.242 -1.459 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.764 -0.806 1.899 1.00 0.00 H new ATOM 1464 N GLU A 96 9.441 -1.121 -1.908 1.00 0.00 N ATOM 1465 CA GLU A 96 9.777 -0.635 -3.250 1.00 0.00 C ATOM 1466 C GLU A 96 8.975 0.619 -3.611 1.00 0.00 C ATOM 1467 O GLU A 96 9.513 1.504 -4.273 1.00 0.00 O ATOM 1468 CB GLU A 96 9.546 -1.716 -4.314 1.00 0.00 C ATOM 1469 CG GLU A 96 10.455 -2.933 -4.109 1.00 0.00 C ATOM 1470 CD GLU A 96 10.354 -3.947 -5.255 1.00 0.00 C ATOM 1471 OE1 GLU A 96 9.303 -4.031 -5.927 1.00 0.00 O ATOM 1472 OE2 GLU A 96 11.309 -4.730 -5.458 1.00 0.00 O ATOM 0 H GLU A 96 8.849 -1.952 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 96 10.837 -0.380 -3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.504 -2.034 -4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.724 -1.294 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.488 -2.598 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.193 -3.423 -3.171 1.00 0.00 H new ATOM 1479 N ILE A 97 7.728 0.741 -3.135 1.00 0.00 N ATOM 1480 CA ILE A 97 6.933 1.972 -3.287 1.00 0.00 C ATOM 1481 C ILE A 97 7.611 3.119 -2.529 1.00 0.00 C ATOM 1482 O ILE A 97 7.837 4.182 -3.105 1.00 0.00 O ATOM 1483 CB ILE A 97 5.464 1.797 -2.822 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.807 0.524 -3.402 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.663 3.048 -3.237 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.359 0.291 -2.949 1.00 0.00 C ATOM 0 H ILE A 97 7.243 -0.005 -2.636 1.00 0.00 H new ATOM 0 HA ILE A 97 6.892 2.209 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 97 5.461 1.682 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.829 0.583 -4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.407 -0.341 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.627 2.939 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.098 3.931 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.698 3.159 -4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.978 -0.623 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.328 0.196 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.741 1.134 -3.257 1.00 0.00 H new ATOM 1498 N PHE A 98 7.994 2.889 -1.268 1.00 0.00 N ATOM 1499 CA PHE A 98 8.703 3.860 -0.441 1.00 0.00 C ATOM 1500 C PHE A 98 10.059 4.266 -1.040 1.00 0.00 C ATOM 1501 O PHE A 98 10.351 5.459 -1.133 1.00 0.00 O ATOM 1502 CB PHE A 98 8.852 3.250 0.955 1.00 0.00 C ATOM 1503 CG PHE A 98 9.618 4.106 1.939 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.963 5.133 2.644 1.00 0.00 C ATOM 1505 CD2 PHE A 98 10.987 3.861 2.164 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.673 5.901 3.586 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.692 4.623 3.109 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.032 5.634 3.829 1.00 0.00 C ATOM 0 H PHE A 98 7.815 2.006 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 98 8.131 4.786 -0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.859 3.055 1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.354 2.287 0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.917 5.332 2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.495 3.086 1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.174 6.695 4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.741 4.433 3.283 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.570 6.207 4.570 1.00 0.00 H new ATOM 1518 N ASN A 99 10.863 3.298 -1.498 1.00 0.00 N ATOM 1519 CA ASN A 99 12.155 3.561 -2.136 1.00 0.00 C ATOM 1520 C ASN A 99 11.997 4.367 -3.437 1.00 0.00 C ATOM 1521 O ASN A 99 12.682 5.374 -3.616 1.00 0.00 O ATOM 1522 CB ASN A 99 12.906 2.242 -2.397 1.00 0.00 C ATOM 1523 CG ASN A 99 13.495 1.598 -1.140 1.00 0.00 C ATOM 1524 OD1 ASN A 99 13.616 2.201 -0.079 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.927 0.353 -1.241 1.00 0.00 N ATOM 0 H ASN A 99 10.633 2.306 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 99 12.744 4.168 -1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.223 1.535 -2.868 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.711 2.429 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.359 -0.103 -0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.828 -0.151 -2.122 1.00 0.00 H new ATOM 1532 N LEU A 100 11.060 3.984 -4.312 1.00 0.00 N ATOM 1533 CA LEU A 100 10.778 4.700 -5.559 1.00 0.00 C ATOM 1534 C LEU A 100 10.253 6.115 -5.288 1.00 0.00 C ATOM 1535 O LEU A 100 10.666 7.052 -5.967 1.00 0.00 O ATOM 1536 CB LEU A 100 9.787 3.861 -6.386 1.00 0.00 C ATOM 1537 CG LEU A 100 9.375 4.489 -7.730 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.572 4.675 -8.678 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.329 3.593 -8.406 1.00 0.00 C ATOM 0 H LEU A 100 10.472 3.162 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 100 11.699 4.829 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.231 2.884 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.890 3.691 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 100 8.962 5.476 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.230 5.121 -9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.308 5.330 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.027 3.706 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.034 4.033 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.754 2.604 -8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.455 3.504 -7.761 1.00 0.00 H new ATOM 1551 N LEU A 101 9.403 6.294 -4.272 1.00 0.00 N ATOM 1552 CA LEU A 101 8.907 7.606 -3.860 1.00 0.00 C ATOM 1553 C LEU A 101 10.050 8.546 -3.460 1.00 0.00 C ATOM 1554 O LEU A 101 10.149 9.634 -4.026 1.00 0.00 O ATOM 1555 CB LEU A 101 7.876 7.431 -2.729 1.00 0.00 C ATOM 1556 CG LEU A 101 7.181 8.741 -2.314 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.337 9.332 -3.452 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.270 8.473 -1.115 1.00 0.00 C ATOM 0 H LEU A 101 9.039 5.525 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 101 8.413 8.079 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.119 6.714 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.374 7.003 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 101 7.960 9.460 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.866 10.255 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.978 9.544 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.567 8.617 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.777 9.399 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.518 7.732 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.865 8.097 -0.283 1.00 0.00 H new ATOM 1570 N GLN A 102 10.938 8.137 -2.544 1.00 0.00 N ATOM 1571 CA GLN A 102 12.064 8.988 -2.147 1.00 0.00 C ATOM 1572 C GLN A 102 13.049 9.228 -3.305 1.00 0.00 C ATOM 1573 O GLN A 102 13.589 10.327 -3.421 1.00 0.00 O ATOM 1574 CB GLN A 102 12.762 8.457 -0.881 1.00 0.00 C ATOM 1575 CG GLN A 102 13.444 7.091 -1.026 1.00 0.00 C ATOM 1576 CD GLN A 102 14.327 6.705 0.165 1.00 0.00 C ATOM 1577 OE1 GLN A 102 14.116 7.091 1.309 1.00 0.00 O ATOM 1578 NE2 GLN A 102 15.372 5.934 -0.058 1.00 0.00 N ATOM 0 H GLN A 102 10.899 7.234 -2.070 1.00 0.00 H new ATOM 0 HA GLN A 102 11.651 9.964 -1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.510 9.185 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.025 8.392 -0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.678 6.327 -1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.053 7.095 -1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.568 5.601 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.985 5.671 0.713 1.00 0.00 H new ATOM 1587 N ASP A 103 13.236 8.254 -4.203 1.00 0.00 N ATOM 1588 CA ASP A 103 14.110 8.374 -5.376 1.00 0.00 C ATOM 1589 C ASP A 103 13.571 9.390 -6.399 1.00 0.00 C ATOM 1590 O ASP A 103 14.335 10.210 -6.908 1.00 0.00 O ATOM 1591 CB ASP A 103 14.296 6.993 -6.035 1.00 0.00 C ATOM 1592 CG ASP A 103 15.254 6.040 -5.293 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.097 6.497 -4.482 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.200 4.820 -5.578 1.00 0.00 O ATOM 0 H ASP A 103 12.777 7.346 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 103 15.076 8.746 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.321 6.512 -6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.666 7.138 -7.050 1.00 0.00 H new ATOM 1599 N LEU A 104 12.259 9.395 -6.666 1.00 0.00 N ATOM 1600 CA LEU A 104 11.624 10.371 -7.560 1.00 0.00 C ATOM 1601 C LEU A 104 11.495 11.759 -6.913 1.00 0.00 C ATOM 1602 O LEU A 104 11.500 12.764 -7.626 1.00 0.00 O ATOM 1603 CB LEU A 104 10.255 9.838 -8.020 1.00 0.00 C ATOM 1604 CG LEU A 104 10.315 8.560 -8.885 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.894 8.019 -9.077 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.965 8.800 -10.256 1.00 0.00 C ATOM 0 H LEU A 104 11.606 8.720 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 104 12.268 10.499 -8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.645 9.636 -7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.748 10.619 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 104 10.938 7.836 -8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.928 7.116 -9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.460 7.784 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.283 8.771 -9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.980 7.867 -10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.391 9.547 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.986 9.156 -10.117 1.00 0.00 H new ATOM 1618 N MET A 105 11.444 11.838 -5.577 1.00 0.00 N ATOM 1619 CA MET A 105 11.449 13.107 -4.832 1.00 0.00 C ATOM 1620 C MET A 105 12.856 13.710 -4.676 1.00 0.00 C ATOM 1621 O MET A 105 12.967 14.934 -4.573 1.00 0.00 O ATOM 1622 CB MET A 105 10.758 12.927 -3.468 1.00 0.00 C ATOM 1623 CG MET A 105 9.249 12.700 -3.647 1.00 0.00 C ATOM 1624 SD MET A 105 8.311 12.350 -2.135 1.00 0.00 S ATOM 1625 CE MET A 105 8.211 13.998 -1.396 1.00 0.00 C ATOM 0 H MET A 105 11.398 11.015 -4.976 1.00 0.00 H new ATOM 0 HA MET A 105 10.882 13.827 -5.422 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.198 12.080 -2.941 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.927 13.809 -2.850 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.822 13.585 -4.118 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.106 11.870 -4.339 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.329 14.058 -0.758 1.00 0.00 H new ATOM 0 HE2 MET A 105 9.104 14.184 -0.799 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.140 14.747 -2.185 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.473 5.909 2.485 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.738 6.230 3.889 1.00 0.00 C ATOM 2021 C PHE A 136 -9.616 7.090 4.493 1.00 0.00 C ATOM 2022 O PHE A 136 -8.460 6.664 4.554 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.946 4.923 4.662 1.00 0.00 C ATOM 2024 CG PHE A 136 -11.344 5.119 6.112 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -12.690 5.356 6.448 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -10.370 5.072 7.127 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -13.062 5.542 7.791 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -10.741 5.257 8.471 1.00 0.00 C ATOM 2029 CZ PHE A 136 -12.087 5.493 8.804 1.00 0.00 C ATOM 0 HA PHE A 136 -11.645 6.830 3.961 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.716 4.336 4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -10.025 4.341 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -13.440 5.395 5.672 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -9.336 4.893 6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -14.096 5.722 8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -9.992 5.218 9.248 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.372 5.636 9.836 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.970 8.295 4.957 1.00 0.00 N ATOM 2040 CA ARG A 137 -9.050 9.236 5.604 1.00 0.00 C ATOM 2041 C ARG A 137 -8.742 8.796 7.043 1.00 0.00 C ATOM 2042 O ARG A 137 -9.653 8.655 7.865 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.640 10.659 5.590 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.648 11.316 4.195 1.00 0.00 C ATOM 2045 CD ARG A 137 -11.045 11.576 3.615 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.726 10.345 3.168 1.00 0.00 N ATOM 2047 CZ ARG A 137 -13.019 10.060 3.275 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -13.872 10.835 3.912 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -13.472 8.955 2.725 1.00 0.00 N ATOM 0 H ARG A 137 -10.924 8.649 4.891 1.00 0.00 H new ATOM 0 HA ARG A 137 -8.116 9.241 5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.661 10.623 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -9.068 11.286 6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -9.111 12.263 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -9.096 10.678 3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -11.658 12.070 4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.960 12.263 2.773 1.00 0.00 H new ATOM 0 HE ARG A 137 -11.139 9.635 2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -13.548 11.697 4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -14.856 10.573 3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -12.834 8.334 2.227 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.462 8.718 2.796 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.461 8.597 7.354 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.960 8.180 8.669 1.00 0.00 C ATOM 2065 C LEU A 138 -6.671 9.385 9.578 1.00 0.00 C ATOM 2066 O LEU A 138 -6.246 10.444 9.110 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.686 7.330 8.483 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.878 6.031 7.681 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.520 5.370 7.430 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.779 5.036 8.421 1.00 0.00 C ATOM 0 H LEU A 138 -6.713 8.726 6.673 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.732 7.586 9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.932 7.939 7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.291 7.076 9.467 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.354 6.297 6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.662 4.451 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.883 6.051 6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.047 5.137 8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.891 4.132 7.823 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.330 4.783 9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.758 5.485 8.586 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.867 9.191 10.888 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.562 10.180 11.938 1.00 0.00 C ATOM 2084 C ARG A 139 -5.122 10.085 12.467 1.00 0.00 C ATOM 2085 O ARG A 139 -4.549 11.085 12.901 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.544 9.993 13.104 1.00 0.00 C ATOM 2087 CG ARG A 139 -8.966 10.435 12.724 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.918 10.373 13.925 1.00 0.00 C ATOM 2089 NE ARG A 139 -11.286 10.751 13.529 1.00 0.00 N ATOM 2090 CZ ARG A 139 -12.296 11.045 14.342 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -12.168 11.028 15.653 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -13.467 11.367 13.836 1.00 0.00 N ATOM 0 H ARG A 139 -7.251 8.322 11.260 1.00 0.00 H new ATOM 0 HA ARG A 139 -6.667 11.166 11.486 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.556 8.946 13.405 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.202 10.568 13.964 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -8.939 11.452 12.333 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.345 9.797 11.926 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.920 9.366 14.341 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.564 11.041 14.710 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.478 10.791 12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.272 10.784 16.075 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.965 11.259 16.246 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.597 11.390 12.825 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -14.245 11.593 14.455 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.537 8.888 12.412 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.192 8.547 12.900 1.00 0.00 C ATOM 2108 C HIS A 140 -2.330 7.861 11.818 1.00 0.00 C ATOM 2109 O HIS A 140 -2.858 7.324 10.839 1.00 0.00 O ATOM 2110 CB HIS A 140 -3.337 7.646 14.139 1.00 0.00 C ATOM 2111 CG HIS A 140 -4.116 8.273 15.264 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -3.639 9.266 16.124 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -5.399 7.963 15.613 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -4.651 9.529 16.968 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -5.720 8.763 16.687 1.00 0.00 N ATOM 0 H HIS A 140 -5.012 8.083 12.004 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.672 9.468 13.162 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.827 6.718 13.845 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -2.344 7.382 14.502 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -6.038 7.233 15.139 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -4.611 10.257 17.765 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -6.612 8.773 17.182 1.00 0.00 H new ATOM 2123 N PHE A 141 -1.003 7.866 11.997 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.042 7.284 11.054 1.00 0.00 C ATOM 2125 C PHE A 141 0.355 5.848 11.481 1.00 0.00 C ATOM 2126 O PHE A 141 0.899 5.690 12.580 1.00 0.00 O ATOM 2127 CB PHE A 141 1.177 8.217 10.950 1.00 0.00 C ATOM 2128 CG PHE A 141 1.983 7.973 9.693 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.496 8.464 8.467 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.186 7.242 9.726 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.195 8.211 7.278 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.877 6.979 8.530 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.382 7.464 7.308 1.00 0.00 C ATOM 0 H PHE A 141 -0.560 8.282 12.816 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.498 7.195 10.068 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.841 9.254 10.967 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.816 8.075 11.822 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.581 9.037 8.442 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.577 6.884 10.667 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.820 8.591 6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.790 6.403 8.551 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.916 7.262 6.391 1.00 0.00 H new ATOM 2143 N PRO A 142 0.084 4.801 10.668 1.00 0.00 N ATOM 2144 CA PRO A 142 0.231 3.405 11.086 1.00 0.00 C ATOM 2145 C PRO A 142 1.627 2.803 10.842 1.00 0.00 C ATOM 2146 O PRO A 142 1.977 1.820 11.497 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.829 2.651 10.279 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.859 3.418 8.958 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.641 4.864 9.405 1.00 0.00 C ATOM 0 HA PRO A 142 0.104 3.328 12.166 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.558 1.605 10.133 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.799 2.663 10.776 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -0.077 3.082 8.277 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.809 3.293 8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -0.073 5.419 8.659 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.593 5.380 9.529 1.00 0.00 H new ATOM 2157 N CYS A 143 2.429 3.360 9.925 1.00 0.00 N ATOM 2158 CA CYS A 143 3.742 2.820 9.551 1.00 0.00 C ATOM 2159 C CYS A 143 4.859 3.254 10.523 1.00 0.00 C ATOM 2160 O CYS A 143 4.906 4.408 10.957 1.00 0.00 O ATOM 2161 CB CYS A 143 4.049 3.242 8.107 1.00 0.00 C ATOM 2162 SG CYS A 143 2.981 2.330 6.952 1.00 0.00 S ATOM 0 H CYS A 143 2.181 4.208 9.416 1.00 0.00 H new ATOM 0 HA CYS A 143 3.707 1.733 9.617 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.891 4.314 7.991 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.097 3.047 7.877 1.00 0.00 H new ATOM 0 HG CYS A 143 3.570 1.227 6.595 1.00 0.00 H new ATOM 2168 N GLY A 144 5.780 2.332 10.840 1.00 0.00 N ATOM 2169 CA GLY A 144 6.863 2.552 11.815 1.00 0.00 C ATOM 2170 C GLY A 144 8.052 3.361 11.285 1.00 0.00 C ATOM 2171 O GLY A 144 8.760 3.984 12.079 1.00 0.00 O ATOM 0 H GLY A 144 5.796 1.401 10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.451 3.065 12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.225 1.583 12.159 1.00 0.00 H new ATOM 2175 N ASN A 145 8.267 3.389 9.966 1.00 0.00 N ATOM 2176 CA ASN A 145 9.279 4.223 9.302 1.00 0.00 C ATOM 2177 C ASN A 145 8.631 5.510 8.759 1.00 0.00 C ATOM 2178 O ASN A 145 7.535 5.436 8.204 1.00 0.00 O ATOM 2179 CB ASN A 145 9.929 3.436 8.152 1.00 0.00 C ATOM 2180 CG ASN A 145 10.572 2.134 8.617 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.647 2.124 9.207 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.933 1.004 8.370 1.00 0.00 N ATOM 0 H ASN A 145 7.730 2.819 9.313 1.00 0.00 H new ATOM 0 HA ASN A 145 10.046 4.495 10.027 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.174 3.214 7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.685 4.059 7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 145 10.334 0.115 8.671 1.00 0.00 H new ATOM 0 HD22 ASN A 145 9.039 1.020 7.879 1.00 0.00 H new ATOM 2189 N VAL A 146 9.301 6.664 8.876 1.00 0.00 N ATOM 2190 CA VAL A 146 8.827 7.970 8.380 1.00 0.00 C ATOM 2191 C VAL A 146 9.990 8.780 7.791 1.00 0.00 C ATOM 2192 O VAL A 146 11.028 8.960 8.427 1.00 0.00 O ATOM 2193 CB VAL A 146 8.112 8.785 9.495 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.865 10.250 9.093 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.748 8.186 9.854 1.00 0.00 C ATOM 0 H VAL A 146 10.213 6.720 9.330 1.00 0.00 H new ATOM 0 HA VAL A 146 8.099 7.774 7.593 1.00 0.00 H new ATOM 0 HB VAL A 146 8.789 8.743 10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.364 10.771 9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.818 10.736 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.238 10.282 8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.282 8.785 10.636 1.00 0.00 H new ATOM 0 HG22 VAL A 146 6.109 8.182 8.971 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.882 7.165 10.210 1.00 0.00 H new ATOM 2205 N ASN A 147 9.762 9.293 6.583 1.00 0.00 N ATOM 2206 CA ASN A 147 10.557 10.296 5.874 1.00 0.00 C ATOM 2207 C ASN A 147 9.761 11.610 5.805 1.00 0.00 C ATOM 2208 O ASN A 147 8.532 11.603 5.702 1.00 0.00 O ATOM 2209 CB ASN A 147 10.830 9.838 4.431 1.00 0.00 C ATOM 2210 CG ASN A 147 12.061 8.965 4.228 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.699 8.481 5.156 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.428 8.766 2.974 1.00 0.00 N ATOM 0 H ASN A 147 8.956 8.996 6.033 1.00 0.00 H new ATOM 0 HA ASN A 147 11.499 10.433 6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 147 9.958 9.290 4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.930 10.723 3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.253 8.203 2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 147 11.886 9.176 2.213 1.00 0.00 H new ATOM 2219 N TYR A 148 10.469 12.740 5.785 1.00 0.00 N ATOM 2220 CA TYR A 148 9.889 14.067 5.552 1.00 0.00 C ATOM 2221 C TYR A 148 10.090 14.487 4.085 1.00 0.00 C ATOM 2222 O TYR A 148 11.179 14.320 3.526 1.00 0.00 O ATOM 2223 CB TYR A 148 10.500 15.067 6.547 1.00 0.00 C ATOM 2224 CG TYR A 148 10.453 14.586 7.991 1.00 0.00 C ATOM 2225 CD1 TYR A 148 9.216 14.286 8.595 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.648 14.364 8.704 1.00 0.00 C ATOM 2227 CE1 TYR A 148 9.170 13.748 9.895 1.00 0.00 C ATOM 2228 CE2 TYR A 148 11.610 13.840 10.010 1.00 0.00 C ATOM 2229 CZ TYR A 148 10.369 13.524 10.608 1.00 0.00 C ATOM 2230 OH TYR A 148 10.321 13.000 11.865 1.00 0.00 O ATOM 0 H TYR A 148 11.478 12.761 5.932 1.00 0.00 H new ATOM 0 HA TYR A 148 8.813 14.045 5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.536 15.258 6.269 1.00 0.00 H new ATOM 0 HB3 TYR A 148 9.969 16.016 6.470 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.298 14.470 8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.598 14.597 8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 148 8.219 13.507 10.347 1.00 0.00 H new ATOM 0 HE2 TYR A 148 12.529 13.680 10.555 1.00 0.00 H new ATOM 0 HH TYR A 148 11.231 12.908 12.216 1.00 0.00 H new