USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 27 ASN : amide:sc= -0.764 K(o=-0.08,f=-6.1!) USER MOD Set 1.2: A 29 THR OG1 : rot 13:sc= 0.684 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -51:sc= 1.28 USER MOD Single : A 19 MET CE :methyl 175:sc=-0.00154 (180deg=-0.0496) USER MOD Single : A 20 MET CE :methyl 156:sc= -0.635 (180deg=-1.45) USER MOD Single : A 23 THR OG1 : rot 101:sc= 1.83 USER MOD Single : A 25 SER OG : rot -41:sc= 0.137 USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.18) USER MOD Single : A 33 THR OG1 : rot -111:sc= -0.888! USER MOD Single : A 37 THR OG1 : rot -97:sc= 1.1 USER MOD Single : A 38 SER OG : rot 82:sc= 0.00203 USER MOD Single : A 41 GLN : amide:sc= 0.809 K(o=0.81,f=-0.4) USER MOD Single : A 43 SER OG : rot -78:sc= 1.23 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 48 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.33) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.58! K(o=-2.6!,f=-0.34) USER MOD Single : A 58 SER OG : rot -41:sc= 1.21 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 104:sc= 1.21 USER MOD Single : A 70 TYR OH : rot 97:sc= 1.49 USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= -0.198 (180deg=-0.27) USER MOD Single : A 80 SER OG : rot 83:sc= 1.22 USER MOD Single : A 81 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.16) USER MOD Single : A 84 CYS SG : rot 28:sc= -1.82! USER MOD Single : A 88 THR OG1 : rot 14:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 2.122 12.444 1.865 1.00 0.00 N ATOM 234 CA LYS A 16 2.169 12.474 0.428 1.00 0.00 C ATOM 235 C LYS A 16 1.195 11.499 -0.247 1.00 0.00 C ATOM 236 O LYS A 16 1.051 10.349 0.173 1.00 0.00 O ATOM 237 CB LYS A 16 3.626 12.220 0.029 1.00 0.00 C ATOM 238 CG LYS A 16 3.927 12.076 -1.449 1.00 0.00 C ATOM 239 CD LYS A 16 5.443 12.012 -1.693 1.00 0.00 C ATOM 240 CE LYS A 16 6.156 11.005 -0.776 1.00 0.00 C ATOM 241 NZ LYS A 16 7.624 10.954 -1.015 1.00 0.00 N ATOM 0 HA LYS A 16 1.833 13.448 0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.230 13.040 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.960 11.312 0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.453 11.173 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.501 12.918 -1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.627 11.742 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.872 13.002 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.970 11.271 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.731 10.013 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.057 10.261 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.806 10.673 -2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.037 11.892 -0.841 1.00 0.00 H new ATOM 255 N THR A 17 0.511 12.007 -1.266 1.00 0.00 N ATOM 256 CA THR A 17 -0.360 11.233 -2.124 1.00 0.00 C ATOM 257 C THR A 17 0.544 10.332 -2.965 1.00 0.00 C ATOM 258 O THR A 17 1.362 10.831 -3.751 1.00 0.00 O ATOM 259 CB THR A 17 -1.159 12.193 -3.043 1.00 0.00 C ATOM 260 OG1 THR A 17 -1.943 13.105 -2.247 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.074 11.435 -4.004 1.00 0.00 C ATOM 0 H THR A 17 0.552 12.994 -1.519 1.00 0.00 H new ATOM 0 HA THR A 17 -1.071 10.641 -1.547 1.00 0.00 H new ATOM 0 HB THR A 17 -0.435 12.750 -3.638 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.464 12.600 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.615 12.146 -4.629 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.475 10.779 -4.636 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.786 10.838 -3.434 1.00 0.00 H new ATOM 269 N LEU A 18 0.418 9.047 -2.813 1.00 0.00 N ATOM 270 CA LEU A 18 1.392 8.150 -3.382 1.00 0.00 C ATOM 271 C LEU A 18 0.739 6.995 -4.108 1.00 0.00 C ATOM 272 O LEU A 18 -0.269 6.478 -3.658 1.00 0.00 O ATOM 273 CB LEU A 18 2.213 7.557 -2.223 1.00 0.00 C ATOM 274 CG LEU A 18 3.417 6.736 -2.568 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.629 7.584 -2.801 1.00 0.00 C ATOM 276 CD2 LEU A 18 3.657 5.758 -1.506 1.00 0.00 C ATOM 0 H LEU A 18 -0.342 8.594 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 18 2.002 8.709 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.540 8.381 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.546 6.938 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 18 3.219 6.214 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.477 6.946 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.439 8.271 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.854 8.153 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.533 5.159 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.829 6.279 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.788 5.107 -1.408 1.00 0.00 H new ATOM 288 N MET A 19 1.287 6.610 -5.228 1.00 0.00 N ATOM 289 CA MET A 19 0.968 5.312 -5.777 1.00 0.00 C ATOM 290 C MET A 19 1.883 4.365 -5.037 1.00 0.00 C ATOM 291 O MET A 19 3.066 4.325 -5.342 1.00 0.00 O ATOM 292 CB MET A 19 1.355 5.228 -7.277 1.00 0.00 C ATOM 293 CG MET A 19 0.645 6.188 -8.195 1.00 0.00 C ATOM 294 SD MET A 19 1.379 6.285 -9.852 1.00 0.00 S ATOM 295 CE MET A 19 1.221 4.606 -10.454 1.00 0.00 C ATOM 0 H MET A 19 1.947 7.163 -5.774 1.00 0.00 H new ATOM 0 HA MET A 19 -0.096 5.097 -5.681 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.428 5.398 -7.365 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.163 4.213 -7.625 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.398 5.886 -8.286 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.652 7.181 -7.745 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.554 4.558 -11.491 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.835 3.942 -9.845 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.178 4.294 -10.393 1.00 0.00 H new ATOM 305 N MET A 20 1.410 3.647 -4.028 1.00 0.00 N ATOM 306 CA MET A 20 2.354 2.792 -3.371 1.00 0.00 C ATOM 307 C MET A 20 2.396 1.482 -4.095 1.00 0.00 C ATOM 308 O MET A 20 1.339 0.941 -4.515 1.00 0.00 O ATOM 309 CB MET A 20 2.152 2.649 -1.810 1.00 0.00 C ATOM 310 CG MET A 20 1.070 1.707 -1.294 1.00 0.00 C ATOM 311 SD MET A 20 1.296 -0.018 -1.742 1.00 0.00 S ATOM 312 CE MET A 20 2.785 -0.288 -0.891 1.00 0.00 C ATOM 0 H MET A 20 0.453 3.641 -3.676 1.00 0.00 H new ATOM 0 HA MET A 20 3.333 3.268 -3.430 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.102 2.327 -1.382 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.943 3.642 -1.412 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.030 1.783 -0.207 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.105 2.043 -1.673 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.892 -1.351 -0.672 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.621 0.041 -1.508 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.778 0.275 0.042 1.00 0.00 H new ATOM 322 N PHE A 21 3.594 0.998 -4.265 1.00 0.00 N ATOM 323 CA PHE A 21 3.870 -0.190 -5.000 1.00 0.00 C ATOM 324 C PHE A 21 4.238 -1.278 -4.013 1.00 0.00 C ATOM 325 O PHE A 21 5.105 -1.075 -3.122 1.00 0.00 O ATOM 326 CB PHE A 21 5.021 0.151 -5.949 1.00 0.00 C ATOM 327 CG PHE A 21 5.547 -0.890 -6.889 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.425 -1.864 -6.453 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.231 -0.825 -8.241 1.00 0.00 C ATOM 330 CE1 PHE A 21 6.978 -2.762 -7.338 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.773 -1.728 -9.133 1.00 0.00 C ATOM 332 CZ PHE A 21 6.654 -2.696 -8.680 1.00 0.00 C ATOM 0 H PHE A 21 4.429 1.440 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 21 3.020 -0.549 -5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.704 1.002 -6.552 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.857 0.488 -5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.680 -1.921 -5.405 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.555 -0.061 -8.597 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.664 -3.517 -6.984 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.511 -1.680 -10.180 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.088 -3.399 -9.375 1.00 0.00 H new ATOM 342 N VAL A 22 3.557 -2.377 -4.111 1.00 0.00 N ATOM 343 CA VAL A 22 3.791 -3.506 -3.259 1.00 0.00 C ATOM 344 C VAL A 22 4.274 -4.700 -4.063 1.00 0.00 C ATOM 345 O VAL A 22 3.650 -5.092 -5.065 1.00 0.00 O ATOM 346 CB VAL A 22 2.526 -3.879 -2.356 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.223 -3.500 -3.034 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.491 -5.383 -2.027 1.00 0.00 C ATOM 0 H VAL A 22 2.812 -2.519 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 22 4.581 -3.218 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 22 2.630 -3.309 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.386 -3.769 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.208 -2.426 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.137 -4.032 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.618 -5.601 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.435 -5.957 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.395 -5.658 -1.484 1.00 0.00 H new ATOM 358 N THR A 23 5.402 -5.222 -3.671 1.00 0.00 N ATOM 359 CA THR A 23 5.880 -6.439 -4.225 1.00 0.00 C ATOM 360 C THR A 23 5.502 -7.603 -3.222 1.00 0.00 C ATOM 361 O THR A 23 5.672 -7.423 -1.996 1.00 0.00 O ATOM 362 CB THR A 23 7.413 -6.376 -4.455 1.00 0.00 C ATOM 363 OG1 THR A 23 7.736 -5.487 -5.558 1.00 0.00 O ATOM 364 CG2 THR A 23 8.035 -7.756 -4.657 1.00 0.00 C ATOM 0 H THR A 23 6.008 -4.811 -2.961 1.00 0.00 H new ATOM 0 HA THR A 23 5.422 -6.619 -5.198 1.00 0.00 H new ATOM 0 HB THR A 23 7.852 -5.969 -3.544 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.041 -4.625 -5.205 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.109 -7.652 -4.813 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.855 -8.369 -3.774 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.586 -8.233 -5.528 1.00 0.00 H new ATOM 372 N VAL A 24 4.976 -8.752 -3.702 1.00 0.00 N ATOM 373 CA VAL A 24 4.550 -9.801 -2.850 1.00 0.00 C ATOM 374 C VAL A 24 5.169 -11.147 -3.435 1.00 0.00 C ATOM 375 O VAL A 24 4.871 -11.491 -4.544 1.00 0.00 O ATOM 376 CB VAL A 24 2.979 -9.790 -2.800 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.353 -10.052 -4.149 1.00 0.00 C ATOM 378 CG2 VAL A 24 2.428 -10.720 -1.765 1.00 0.00 C ATOM 0 H VAL A 24 4.850 -8.944 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 24 4.891 -9.694 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 24 2.705 -8.777 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.267 -10.033 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.670 -9.283 -4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.669 -11.030 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.339 -10.671 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.748 -11.739 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.795 -10.428 -0.781 1.00 0.00 H new ATOM 388 N SER A 25 6.007 -11.912 -2.710 1.00 0.00 N ATOM 389 CA SER A 25 6.781 -12.934 -3.412 1.00 0.00 C ATOM 390 C SER A 25 6.577 -14.332 -2.835 1.00 0.00 C ATOM 391 O SER A 25 7.156 -15.308 -3.332 1.00 0.00 O ATOM 392 CB SER A 25 8.261 -12.561 -3.354 1.00 0.00 C ATOM 393 OG SER A 25 9.029 -13.248 -4.322 1.00 0.00 O ATOM 0 H SER A 25 6.156 -11.847 -1.703 1.00 0.00 H new ATOM 0 HA SER A 25 6.429 -12.965 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.368 -11.487 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.650 -12.784 -2.361 1.00 0.00 H new ATOM 0 HG SER A 25 8.727 -14.178 -4.379 1.00 0.00 H new ATOM 399 N GLY A 26 5.781 -14.442 -1.775 1.00 0.00 N ATOM 400 CA GLY A 26 5.514 -15.750 -1.196 1.00 0.00 C ATOM 401 C GLY A 26 4.845 -16.649 -2.202 1.00 0.00 C ATOM 402 O GLY A 26 5.040 -17.862 -2.208 1.00 0.00 O ATOM 0 H GLY A 26 5.320 -13.660 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.447 -16.202 -0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.878 -15.642 -0.317 1.00 0.00 H new ATOM 406 N ASN A 27 4.071 -16.038 -3.048 1.00 0.00 N ATOM 407 CA ASN A 27 3.447 -16.681 -4.124 1.00 0.00 C ATOM 408 C ASN A 27 4.003 -16.042 -5.375 1.00 0.00 C ATOM 409 O ASN A 27 3.696 -14.893 -5.665 1.00 0.00 O ATOM 410 CB ASN A 27 1.935 -16.537 -4.027 1.00 0.00 C ATOM 411 CG ASN A 27 1.228 -17.083 -5.230 1.00 0.00 C ATOM 412 OD1 ASN A 27 0.935 -16.348 -6.167 1.00 0.00 O ATOM 413 ND2 ASN A 27 0.960 -18.361 -5.226 1.00 0.00 N ATOM 0 H ASN A 27 3.860 -15.042 -2.990 1.00 0.00 H new ATOM 0 HA ASN A 27 3.644 -17.753 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.581 -17.054 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.681 -15.484 -3.907 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.488 -18.786 -6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.222 -18.935 -4.424 1.00 0.00 H new ATOM 420 N PRO A 28 4.861 -16.741 -6.100 1.00 0.00 N ATOM 421 CA PRO A 28 5.531 -16.191 -7.274 1.00 0.00 C ATOM 422 C PRO A 28 4.691 -16.333 -8.542 1.00 0.00 C ATOM 423 O PRO A 28 5.228 -16.451 -9.650 1.00 0.00 O ATOM 424 CB PRO A 28 6.785 -17.061 -7.364 1.00 0.00 C ATOM 425 CG PRO A 28 6.365 -18.395 -6.839 1.00 0.00 C ATOM 426 CD PRO A 28 5.256 -18.143 -5.847 1.00 0.00 C ATOM 0 HA PRO A 28 5.725 -15.122 -7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.142 -17.135 -8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.600 -16.642 -6.773 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.021 -19.038 -7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.202 -18.904 -6.362 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.421 -18.827 -6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.598 -18.282 -4.822 1.00 0.00 H new ATOM 434 N THR A 29 3.391 -16.278 -8.399 1.00 0.00 N ATOM 435 CA THR A 29 2.510 -16.446 -9.513 1.00 0.00 C ATOM 436 C THR A 29 1.424 -15.388 -9.444 1.00 0.00 C ATOM 437 O THR A 29 1.587 -14.375 -8.752 1.00 0.00 O ATOM 438 CB THR A 29 1.884 -17.875 -9.556 1.00 0.00 C ATOM 439 OG1 THR A 29 1.277 -18.204 -8.309 1.00 0.00 O ATOM 440 CG2 THR A 29 2.909 -18.939 -9.933 1.00 0.00 C ATOM 0 H THR A 29 2.921 -16.116 -7.508 1.00 0.00 H new ATOM 0 HA THR A 29 3.087 -16.330 -10.431 1.00 0.00 H new ATOM 0 HB THR A 29 1.118 -17.860 -10.331 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.197 -17.396 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.428 -19.917 -9.950 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.317 -18.718 -10.919 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.715 -18.944 -9.199 1.00 0.00 H new ATOM 448 N GLU A 30 0.325 -15.608 -10.128 1.00 0.00 N ATOM 449 CA GLU A 30 -0.734 -14.639 -10.175 1.00 0.00 C ATOM 450 C GLU A 30 -1.643 -14.802 -8.954 1.00 0.00 C ATOM 451 O GLU A 30 -2.485 -13.967 -8.699 1.00 0.00 O ATOM 452 CB GLU A 30 -1.551 -14.846 -11.466 1.00 0.00 C ATOM 453 CG GLU A 30 -2.569 -13.757 -11.764 1.00 0.00 C ATOM 454 CD GLU A 30 -1.948 -12.472 -12.261 1.00 0.00 C ATOM 455 OE1 GLU A 30 -0.876 -12.067 -11.776 1.00 0.00 O ATOM 456 OE2 GLU A 30 -2.512 -11.869 -13.200 1.00 0.00 O ATOM 0 H GLU A 30 0.145 -16.458 -10.662 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.310 -13.635 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.861 -14.918 -12.307 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.072 -15.801 -11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.273 -14.124 -12.511 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.142 -13.549 -10.860 1.00 0.00 H new ATOM 463 N LYS A 31 -1.420 -15.848 -8.168 1.00 0.00 N ATOM 464 CA LYS A 31 -2.325 -16.182 -7.082 1.00 0.00 C ATOM 465 C LYS A 31 -2.346 -15.117 -5.989 1.00 0.00 C ATOM 466 O LYS A 31 -3.414 -14.687 -5.574 1.00 0.00 O ATOM 467 CB LYS A 31 -2.040 -17.585 -6.507 1.00 0.00 C ATOM 468 CG LYS A 31 -3.123 -18.146 -5.567 1.00 0.00 C ATOM 469 CD LYS A 31 -2.690 -18.249 -4.088 1.00 0.00 C ATOM 470 CE LYS A 31 -2.548 -16.896 -3.411 1.00 0.00 C ATOM 471 NZ LYS A 31 -2.225 -17.012 -1.982 1.00 0.00 N ATOM 0 H LYS A 31 -0.622 -16.476 -8.264 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.326 -16.205 -7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.908 -18.279 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.095 -17.552 -5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.007 -17.512 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.415 -19.136 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.421 -18.846 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.739 -18.779 -4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.767 -16.323 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.477 -16.337 -3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.072 -16.064 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.012 -17.475 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.361 -17.580 -1.866 1.00 0.00 H new ATOM 485 N GLU A 32 -1.196 -14.687 -5.496 1.00 0.00 N ATOM 486 CA GLU A 32 -1.246 -13.689 -4.423 1.00 0.00 C ATOM 487 C GLU A 32 -1.662 -12.373 -5.026 1.00 0.00 C ATOM 488 O GLU A 32 -2.431 -11.640 -4.435 1.00 0.00 O ATOM 489 CB GLU A 32 0.064 -13.590 -3.591 1.00 0.00 C ATOM 490 CG GLU A 32 -0.095 -12.896 -2.194 1.00 0.00 C ATOM 491 CD GLU A 32 -1.149 -13.564 -1.339 1.00 0.00 C ATOM 492 OE1 GLU A 32 -1.103 -14.795 -1.193 1.00 0.00 O ATOM 493 OE2 GLU A 32 -2.053 -12.882 -0.828 1.00 0.00 O ATOM 0 H GLU A 32 -0.267 -14.986 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.986 -14.005 -3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.458 -14.595 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.806 -13.041 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.861 -12.915 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.358 -11.848 -2.339 1.00 0.00 H new ATOM 500 N THR A 33 -1.206 -12.134 -6.250 1.00 0.00 N ATOM 501 CA THR A 33 -1.622 -11.011 -7.033 1.00 0.00 C ATOM 502 C THR A 33 -3.157 -10.896 -7.064 1.00 0.00 C ATOM 503 O THR A 33 -3.716 -9.861 -6.703 1.00 0.00 O ATOM 504 CB THR A 33 -1.100 -11.158 -8.456 1.00 0.00 C ATOM 505 OG1 THR A 33 0.324 -11.155 -8.395 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.577 -10.002 -9.332 1.00 0.00 C ATOM 0 H THR A 33 -0.527 -12.733 -6.720 1.00 0.00 H new ATOM 0 HA THR A 33 -1.215 -10.108 -6.577 1.00 0.00 H new ATOM 0 HB THR A 33 -1.472 -12.085 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.667 -10.332 -8.802 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.191 -10.129 -10.344 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.667 -9.991 -9.358 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.214 -9.060 -8.921 1.00 0.00 H new ATOM 514 N GLU A 34 -3.822 -11.985 -7.435 1.00 0.00 N ATOM 515 CA GLU A 34 -5.264 -12.007 -7.555 1.00 0.00 C ATOM 516 C GLU A 34 -5.966 -11.925 -6.213 1.00 0.00 C ATOM 517 O GLU A 34 -7.009 -11.276 -6.104 1.00 0.00 O ATOM 518 CB GLU A 34 -5.749 -13.204 -8.362 1.00 0.00 C ATOM 519 CG GLU A 34 -5.414 -14.542 -7.747 1.00 0.00 C ATOM 520 CD GLU A 34 -5.891 -15.686 -8.572 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.303 -15.962 -9.635 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.903 -16.315 -8.196 1.00 0.00 O ATOM 0 H GLU A 34 -3.372 -12.872 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.534 -11.106 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.830 -13.133 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.313 -13.156 -9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.334 -14.618 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.860 -14.604 -6.754 1.00 0.00 H new ATOM 529 N GLU A 35 -5.417 -12.577 -5.196 1.00 0.00 N ATOM 530 CA GLU A 35 -6.001 -12.511 -3.871 1.00 0.00 C ATOM 531 C GLU A 35 -5.973 -11.098 -3.372 1.00 0.00 C ATOM 532 O GLU A 35 -6.999 -10.528 -3.082 1.00 0.00 O ATOM 533 CB GLU A 35 -5.300 -13.444 -2.888 1.00 0.00 C ATOM 534 CG GLU A 35 -5.502 -14.914 -3.186 1.00 0.00 C ATOM 535 CD GLU A 35 -6.960 -15.326 -3.146 1.00 0.00 C ATOM 536 OE1 GLU A 35 -7.665 -15.224 -4.198 1.00 0.00 O ATOM 537 OE2 GLU A 35 -7.429 -15.771 -2.077 1.00 0.00 O ATOM 0 H GLU A 35 -4.577 -13.151 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.035 -12.847 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.232 -13.226 -2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.663 -13.234 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.092 -15.140 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.942 -15.507 -2.463 1.00 0.00 H new ATOM 544 N ILE A 36 -4.812 -10.525 -3.365 1.00 0.00 N ATOM 545 CA ILE A 36 -4.612 -9.166 -2.921 1.00 0.00 C ATOM 546 C ILE A 36 -5.458 -8.195 -3.733 1.00 0.00 C ATOM 547 O ILE A 36 -6.171 -7.408 -3.178 1.00 0.00 O ATOM 548 CB ILE A 36 -3.135 -8.794 -3.057 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.260 -9.644 -2.143 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.862 -7.304 -2.898 1.00 0.00 C ATOM 551 CD1 ILE A 36 -0.795 -9.506 -2.442 1.00 0.00 C ATOM 0 H ILE A 36 -3.957 -10.989 -3.671 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.917 -9.098 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.859 -9.024 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.442 -9.360 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.549 -10.690 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.794 -7.116 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.408 -6.751 -3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.189 -6.977 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.223 -10.135 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.602 -9.817 -3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.494 -8.466 -2.316 1.00 0.00 H new ATOM 563 N THR A 37 -5.410 -8.276 -5.024 1.00 0.00 N ATOM 564 CA THR A 37 -6.146 -7.324 -5.804 1.00 0.00 C ATOM 565 C THR A 37 -7.662 -7.453 -5.611 1.00 0.00 C ATOM 566 O THR A 37 -8.288 -6.521 -5.122 1.00 0.00 O ATOM 567 CB THR A 37 -5.741 -7.339 -7.278 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.817 -8.684 -7.788 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.318 -6.807 -7.428 1.00 0.00 C ATOM 0 H THR A 37 -4.884 -8.971 -5.554 1.00 0.00 H new ATOM 0 HA THR A 37 -5.873 -6.340 -5.422 1.00 0.00 H new ATOM 0 HB THR A 37 -6.421 -6.702 -7.844 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.928 -9.095 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.034 -6.820 -8.480 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.270 -5.785 -7.051 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.633 -7.436 -6.860 1.00 0.00 H new ATOM 577 N SER A 38 -8.224 -8.621 -5.862 1.00 0.00 N ATOM 578 CA SER A 38 -9.653 -8.772 -5.740 1.00 0.00 C ATOM 579 C SER A 38 -10.121 -8.589 -4.267 1.00 0.00 C ATOM 580 O SER A 38 -10.978 -7.724 -3.988 1.00 0.00 O ATOM 581 CB SER A 38 -10.136 -10.110 -6.370 1.00 0.00 C ATOM 582 OG SER A 38 -9.616 -10.265 -7.688 1.00 0.00 O ATOM 0 H SER A 38 -7.720 -9.461 -6.146 1.00 0.00 H new ATOM 0 HA SER A 38 -10.128 -7.974 -6.311 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.817 -10.946 -5.748 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.225 -10.131 -6.399 1.00 0.00 H new ATOM 0 HG SER A 38 -8.698 -10.605 -7.640 1.00 0.00 H new ATOM 588 N LEU A 39 -9.455 -9.264 -3.319 1.00 0.00 N ATOM 589 CA LEU A 39 -9.894 -9.258 -1.939 1.00 0.00 C ATOM 590 C LEU A 39 -9.556 -7.943 -1.303 1.00 0.00 C ATOM 591 O LEU A 39 -10.443 -7.249 -0.757 1.00 0.00 O ATOM 592 CB LEU A 39 -9.222 -10.383 -1.146 1.00 0.00 C ATOM 593 CG LEU A 39 -9.477 -11.811 -1.618 1.00 0.00 C ATOM 594 CD1 LEU A 39 -8.594 -12.772 -0.844 1.00 0.00 C ATOM 595 CD2 LEU A 39 -10.941 -12.178 -1.440 1.00 0.00 C ATOM 0 H LEU A 39 -8.615 -9.815 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.973 -9.412 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.146 -10.210 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.546 -10.306 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.234 -11.880 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.779 -13.791 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.547 -12.519 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.820 -12.698 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.104 -13.200 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.210 -12.101 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.560 -11.497 -2.024 1.00 0.00 H new ATOM 607 N TRP A 40 -8.291 -7.551 -1.402 1.00 0.00 N ATOM 608 CA TRP A 40 -7.880 -6.348 -0.763 1.00 0.00 C ATOM 609 C TRP A 40 -8.432 -5.192 -1.507 1.00 0.00 C ATOM 610 O TRP A 40 -9.201 -4.526 -0.955 1.00 0.00 O ATOM 611 CB TRP A 40 -6.376 -6.148 -0.606 1.00 0.00 C ATOM 612 CG TRP A 40 -5.579 -7.269 -0.034 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.961 -8.537 0.284 1.00 0.00 C ATOM 614 CD2 TRP A 40 -4.211 -7.194 0.219 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.875 -9.254 0.695 1.00 0.00 N ATOM 616 CE2 TRP A 40 -3.787 -8.439 0.675 1.00 0.00 C ATOM 617 CE3 TRP A 40 -3.299 -6.175 0.091 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -2.464 -8.693 1.005 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -2.003 -6.422 0.407 1.00 0.00 C ATOM 620 CH2 TRP A 40 -1.587 -7.667 0.858 1.00 0.00 C ATOM 0 H TRP A 40 -7.561 -8.049 -1.911 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.268 -6.427 0.252 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.966 -5.913 -1.588 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.219 -5.272 0.023 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.970 -8.917 0.221 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.879 -10.236 0.971 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.607 -5.199 -0.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.146 -9.661 1.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.276 -5.630 0.305 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.545 -7.823 1.097 1.00 0.00 H new ATOM 631 N GLN A 41 -8.107 -4.976 -2.815 1.00 0.00 N ATOM 632 CA GLN A 41 -8.589 -3.721 -3.438 1.00 0.00 C ATOM 633 C GLN A 41 -10.114 -3.648 -3.526 1.00 0.00 C ATOM 634 O GLN A 41 -10.683 -2.534 -3.504 1.00 0.00 O ATOM 635 CB GLN A 41 -7.798 -3.185 -4.713 1.00 0.00 C ATOM 636 CG GLN A 41 -8.150 -3.763 -6.080 1.00 0.00 C ATOM 637 CD GLN A 41 -9.235 -2.966 -6.799 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.430 -3.209 -6.624 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.833 -2.036 -7.641 1.00 0.00 N ATOM 0 H GLN A 41 -7.561 -5.598 -3.410 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.299 -2.957 -2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.940 -2.105 -4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.736 -3.359 -4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.254 -3.789 -6.700 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.483 -4.794 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.837 -1.857 -7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.518 -1.495 -8.169 1.00 0.00 H new ATOM 648 N GLY A 42 -10.786 -4.824 -3.541 1.00 0.00 N ATOM 649 CA GLY A 42 -12.224 -4.835 -3.412 1.00 0.00 C ATOM 650 C GLY A 42 -12.631 -4.241 -2.068 1.00 0.00 C ATOM 651 O GLY A 42 -13.485 -3.349 -2.001 1.00 0.00 O ATOM 0 H GLY A 42 -10.352 -5.742 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.675 -4.263 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.597 -5.856 -3.496 1.00 0.00 H new ATOM 655 N SER A 43 -11.978 -4.684 -0.994 1.00 0.00 N ATOM 656 CA SER A 43 -12.243 -4.125 0.320 1.00 0.00 C ATOM 657 C SER A 43 -11.558 -2.746 0.510 1.00 0.00 C ATOM 658 O SER A 43 -11.968 -1.960 1.349 1.00 0.00 O ATOM 659 CB SER A 43 -11.897 -5.119 1.450 1.00 0.00 C ATOM 660 OG SER A 43 -10.553 -5.581 1.366 1.00 0.00 O ATOM 0 H SER A 43 -11.271 -5.419 -1.012 1.00 0.00 H new ATOM 0 HA SER A 43 -13.317 -3.948 0.384 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.055 -4.638 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.576 -5.971 1.403 1.00 0.00 H new ATOM 0 HG SER A 43 -10.485 -6.266 0.668 1.00 0.00 H new ATOM 666 N LEU A 44 -10.535 -2.456 -0.311 1.00 0.00 N ATOM 667 CA LEU A 44 -9.853 -1.172 -0.289 1.00 0.00 C ATOM 668 C LEU A 44 -10.849 -0.093 -0.725 1.00 0.00 C ATOM 669 O LEU A 44 -10.837 1.030 -0.209 1.00 0.00 O ATOM 670 CB LEU A 44 -8.505 -1.143 -1.148 1.00 0.00 C ATOM 671 CG LEU A 44 -7.413 -2.208 -0.858 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.033 -1.917 -1.567 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.267 -2.453 0.624 1.00 0.00 C ATOM 0 H LEU A 44 -10.166 -3.109 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.517 -0.977 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.781 -1.230 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.051 -0.160 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.764 -3.135 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.322 -2.704 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.178 -1.889 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.645 -0.956 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.495 -3.203 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.986 -1.524 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.214 -2.809 1.029 1.00 0.00 H new ATOM 685 N PHE A 45 -11.755 -0.463 -1.646 1.00 0.00 N ATOM 686 CA PHE A 45 -12.837 0.425 -2.031 1.00 0.00 C ATOM 687 C PHE A 45 -14.022 0.260 -1.057 1.00 0.00 C ATOM 688 O PHE A 45 -14.715 1.222 -0.732 1.00 0.00 O ATOM 689 CB PHE A 45 -13.264 0.170 -3.494 1.00 0.00 C ATOM 690 CG PHE A 45 -14.403 1.028 -3.980 1.00 0.00 C ATOM 691 CD1 PHE A 45 -14.179 2.330 -4.391 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.696 0.527 -4.028 1.00 0.00 C ATOM 693 CE1 PHE A 45 -15.221 3.120 -4.838 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.741 1.310 -4.472 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.505 2.608 -4.879 1.00 0.00 C ATOM 0 H PHE A 45 -11.751 -1.363 -2.126 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.488 1.456 -1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.403 0.333 -4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.547 -0.877 -3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -13.178 2.734 -4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.886 -0.489 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -15.033 4.135 -5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.743 0.908 -4.501 1.00 0.00 H new ATOM 0 HZ PHE A 45 -17.322 3.222 -5.229 1.00 0.00 H new ATOM 705 N ASN A 46 -14.222 -0.964 -0.557 1.00 0.00 N ATOM 706 CA ASN A 46 -15.316 -1.263 0.386 1.00 0.00 C ATOM 707 C ASN A 46 -15.210 -0.464 1.685 1.00 0.00 C ATOM 708 O ASN A 46 -16.200 0.045 2.185 1.00 0.00 O ATOM 709 CB ASN A 46 -15.429 -2.786 0.663 1.00 0.00 C ATOM 710 CG ASN A 46 -16.347 -3.127 1.829 1.00 0.00 C ATOM 711 OD1 ASN A 46 -15.904 -3.234 2.975 1.00 0.00 O ATOM 712 ND2 ASN A 46 -17.609 -3.304 1.554 1.00 0.00 N ATOM 0 H ASN A 46 -13.640 -1.770 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.238 -0.943 -0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.795 -3.284 -0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.435 -3.185 0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.265 -3.539 2.299 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.940 -3.207 0.594 1.00 0.00 H new ATOM 719 N ALA A 47 -14.003 -0.292 2.192 1.00 0.00 N ATOM 720 CA ALA A 47 -13.804 0.445 3.423 1.00 0.00 C ATOM 721 C ALA A 47 -13.652 1.936 3.137 1.00 0.00 C ATOM 722 O ALA A 47 -13.357 2.726 4.040 1.00 0.00 O ATOM 723 CB ALA A 47 -12.610 -0.100 4.177 1.00 0.00 C ATOM 0 H ALA A 47 -13.147 -0.653 1.770 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.683 0.318 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.474 0.464 5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.779 -1.150 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.717 -0.007 3.560 1.00 0.00 H new ATOM 729 N ASN A 48 -13.860 2.303 1.870 1.00 0.00 N ATOM 730 CA ASN A 48 -13.870 3.699 1.412 1.00 0.00 C ATOM 731 C ASN A 48 -12.530 4.422 1.705 1.00 0.00 C ATOM 732 O ASN A 48 -12.515 5.582 2.118 1.00 0.00 O ATOM 733 CB ASN A 48 -15.084 4.435 2.071 1.00 0.00 C ATOM 734 CG ASN A 48 -15.313 5.897 1.634 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.792 6.716 2.427 1.00 0.00 O ATOM 736 ND2 ASN A 48 -15.034 6.223 0.402 1.00 0.00 N ATOM 0 H ASN A 48 -14.029 1.631 1.121 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.982 3.715 0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.988 3.867 1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.949 4.418 3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.210 7.172 0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.639 5.529 -0.232 1.00 0.00 H new ATOM 743 N TYR A 49 -11.389 3.758 1.502 1.00 0.00 N ATOM 744 CA TYR A 49 -10.127 4.472 1.701 1.00 0.00 C ATOM 745 C TYR A 49 -9.720 5.531 0.599 1.00 0.00 C ATOM 746 O TYR A 49 -8.611 6.005 0.644 1.00 0.00 O ATOM 747 CB TYR A 49 -8.991 3.511 1.992 1.00 0.00 C ATOM 748 CG TYR A 49 -8.903 3.032 3.394 1.00 0.00 C ATOM 749 CD1 TYR A 49 -8.822 3.906 4.457 1.00 0.00 C ATOM 750 CD2 TYR A 49 -8.883 1.697 3.640 1.00 0.00 C ATOM 751 CE1 TYR A 49 -8.725 3.436 5.746 1.00 0.00 C ATOM 752 CE2 TYR A 49 -8.785 1.191 4.898 1.00 0.00 C ATOM 753 CZ TYR A 49 -8.703 2.056 5.967 1.00 0.00 C ATOM 754 OH TYR A 49 -8.612 1.548 7.249 1.00 0.00 O ATOM 0 H TYR A 49 -11.311 2.782 1.216 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.324 5.090 2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.093 2.646 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.051 3.998 1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.835 4.971 4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.947 1.013 2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.667 4.124 6.576 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.772 0.123 5.057 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.611 0.569 7.213 1.00 0.00 H new ATOM 764 N ASP A 50 -10.629 5.901 -0.347 1.00 0.00 N ATOM 765 CA ASP A 50 -10.413 6.942 -1.407 1.00 0.00 C ATOM 766 C ASP A 50 -9.061 6.800 -2.086 1.00 0.00 C ATOM 767 O ASP A 50 -8.118 7.585 -1.861 1.00 0.00 O ATOM 768 CB ASP A 50 -10.664 8.366 -0.875 1.00 0.00 C ATOM 769 CG ASP A 50 -10.551 9.439 -1.942 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.329 9.408 -2.923 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.715 10.371 -1.789 1.00 0.00 O ATOM 0 H ASP A 50 -11.555 5.477 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.160 6.766 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.659 8.409 -0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.950 8.579 -0.079 1.00 0.00 H new ATOM 776 N VAL A 51 -8.955 5.753 -2.856 1.00 0.00 N ATOM 777 CA VAL A 51 -7.702 5.300 -3.424 1.00 0.00 C ATOM 778 C VAL A 51 -7.888 4.657 -4.811 1.00 0.00 C ATOM 779 O VAL A 51 -9.003 4.492 -5.292 1.00 0.00 O ATOM 780 CB VAL A 51 -7.090 4.235 -2.481 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.367 4.841 -1.298 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.190 3.374 -1.962 1.00 0.00 C ATOM 0 H VAL A 51 -9.753 5.173 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.054 6.169 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.361 3.668 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.960 4.045 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.555 5.475 -1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.065 5.440 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.776 2.617 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.905 3.988 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.694 2.886 -2.796 1.00 0.00 H new ATOM 792 N GLN A 52 -6.786 4.287 -5.427 1.00 0.00 N ATOM 793 CA GLN A 52 -6.756 3.550 -6.709 1.00 0.00 C ATOM 794 C GLN A 52 -5.756 2.447 -6.539 1.00 0.00 C ATOM 795 O GLN A 52 -4.628 2.694 -6.241 1.00 0.00 O ATOM 796 CB GLN A 52 -6.309 4.455 -7.837 1.00 0.00 C ATOM 797 CG GLN A 52 -7.206 5.646 -8.092 1.00 0.00 C ATOM 798 CD GLN A 52 -6.606 6.595 -9.087 1.00 0.00 C ATOM 799 OE1 GLN A 52 -7.317 7.274 -9.834 1.00 0.00 O ATOM 800 NE2 GLN A 52 -5.311 6.664 -9.097 1.00 0.00 N ATOM 0 H GLN A 52 -5.857 4.486 -5.057 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.748 3.171 -6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.304 4.816 -7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.243 3.866 -8.752 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.173 5.301 -8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.388 6.171 -7.154 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.764 6.083 -8.461 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.839 7.299 -9.741 1.00 0.00 H new ATOM 809 N ARG A 53 -6.162 1.248 -6.681 1.00 0.00 N ATOM 810 CA ARG A 53 -5.300 0.148 -6.352 1.00 0.00 C ATOM 811 C ARG A 53 -5.246 -0.734 -7.554 1.00 0.00 C ATOM 812 O ARG A 53 -6.259 -0.900 -8.234 1.00 0.00 O ATOM 813 CB ARG A 53 -5.770 -0.600 -5.064 1.00 0.00 C ATOM 814 CG ARG A 53 -6.124 0.297 -3.863 1.00 0.00 C ATOM 815 CD ARG A 53 -7.406 1.018 -4.088 1.00 0.00 C ATOM 816 NE ARG A 53 -8.562 0.141 -4.331 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.669 0.490 -5.042 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.848 1.742 -5.458 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.608 -0.408 -5.279 1.00 0.00 N ATOM 0 H ARG A 53 -7.086 0.985 -7.023 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.298 0.500 -6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.643 -1.202 -5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.983 -1.290 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.199 -0.311 -2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.323 1.017 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.615 1.642 -3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.288 1.687 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.532 -0.799 -3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.150 2.455 -5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.683 1.988 -5.990 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.503 -1.360 -4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.439 -0.149 -5.812 1.00 0.00 H new ATOM 833 N PHE A 54 -4.102 -1.277 -7.844 1.00 0.00 N ATOM 834 CA PHE A 54 -3.904 -1.878 -9.156 1.00 0.00 C ATOM 835 C PHE A 54 -3.275 -3.226 -9.145 1.00 0.00 C ATOM 836 O PHE A 54 -2.506 -3.585 -8.224 1.00 0.00 O ATOM 837 CB PHE A 54 -3.044 -0.972 -10.054 1.00 0.00 C ATOM 838 CG PHE A 54 -3.736 0.208 -10.673 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.029 1.345 -9.945 1.00 0.00 C ATOM 840 CD2 PHE A 54 -4.062 0.177 -12.003 1.00 0.00 C ATOM 841 CE1 PHE A 54 -4.636 2.425 -10.540 1.00 0.00 C ATOM 842 CE2 PHE A 54 -4.670 1.245 -12.605 1.00 0.00 C ATOM 843 CZ PHE A 54 -4.959 2.377 -11.876 1.00 0.00 C ATOM 0 H PHE A 54 -3.300 -1.324 -7.216 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.916 -1.992 -9.544 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.205 -0.604 -9.464 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.627 -1.582 -10.855 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.778 1.386 -8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.836 -0.704 -12.586 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.859 3.309 -9.960 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.924 1.200 -13.654 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.436 3.222 -12.350 1.00 0.00 H new ATOM 853 N ILE A 55 -3.622 -3.974 -10.179 1.00 0.00 N ATOM 854 CA ILE A 55 -2.955 -5.182 -10.524 1.00 0.00 C ATOM 855 C ILE A 55 -1.839 -4.762 -11.427 1.00 0.00 C ATOM 856 O ILE A 55 -2.081 -4.212 -12.517 1.00 0.00 O ATOM 857 CB ILE A 55 -3.833 -6.165 -11.340 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.146 -6.448 -10.631 1.00 0.00 C ATOM 859 CG2 ILE A 55 -3.062 -7.465 -11.607 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.972 -7.516 -11.278 1.00 0.00 C ATOM 0 H ILE A 55 -4.393 -3.739 -10.804 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.657 -5.693 -9.609 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.071 -5.699 -12.296 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.935 -6.740 -9.602 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.729 -5.528 -10.589 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.688 -8.148 -12.181 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.157 -7.242 -12.172 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.793 -7.930 -10.658 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.892 -7.658 -10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.216 -7.219 -12.298 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.410 -8.450 -11.296 1.00 0.00 H new ATOM 872 N VAL A 56 -0.654 -4.934 -10.994 1.00 0.00 N ATOM 873 CA VAL A 56 0.457 -4.574 -11.798 1.00 0.00 C ATOM 874 C VAL A 56 1.254 -5.787 -12.208 1.00 0.00 C ATOM 875 O VAL A 56 1.978 -5.734 -13.196 1.00 0.00 O ATOM 876 CB VAL A 56 1.326 -3.435 -11.192 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.594 -2.095 -11.300 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.634 -3.716 -9.742 1.00 0.00 C ATOM 0 H VAL A 56 -0.420 -5.324 -10.081 1.00 0.00 H new ATOM 0 HA VAL A 56 0.052 -4.139 -12.712 1.00 0.00 H new ATOM 0 HB VAL A 56 2.259 -3.387 -11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.213 -1.307 -10.872 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.396 -1.872 -12.348 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.349 -2.151 -10.756 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.243 -2.908 -9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.703 -3.787 -9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.179 -4.656 -9.661 1.00 0.00 H new ATOM 888 N GLY A 57 1.127 -6.890 -11.464 1.00 0.00 N ATOM 889 CA GLY A 57 1.750 -8.118 -11.958 1.00 0.00 C ATOM 890 C GLY A 57 1.748 -9.256 -10.987 1.00 0.00 C ATOM 891 O GLY A 57 1.380 -9.098 -9.846 1.00 0.00 O ATOM 0 H GLY A 57 0.632 -6.960 -10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.233 -8.432 -12.865 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.780 -7.899 -12.238 1.00 0.00 H new ATOM 895 N SER A 58 2.129 -10.414 -11.443 1.00 0.00 N ATOM 896 CA SER A 58 2.298 -11.550 -10.579 1.00 0.00 C ATOM 897 C SER A 58 3.464 -11.234 -9.658 1.00 0.00 C ATOM 898 O SER A 58 4.574 -10.972 -10.170 1.00 0.00 O ATOM 899 CB SER A 58 2.582 -12.774 -11.429 1.00 0.00 C ATOM 900 OG SER A 58 1.528 -12.976 -12.365 1.00 0.00 O ATOM 0 H SER A 58 2.332 -10.599 -12.425 1.00 0.00 H new ATOM 0 HA SER A 58 1.406 -11.754 -9.987 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.528 -12.649 -11.956 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.686 -13.652 -10.792 1.00 0.00 H new ATOM 0 HG SER A 58 0.666 -12.812 -11.928 1.00 0.00 H new ATOM 906 N ASP A 59 3.205 -11.184 -8.314 1.00 0.00 N ATOM 907 CA ASP A 59 4.194 -10.763 -7.320 1.00 0.00 C ATOM 908 C ASP A 59 4.194 -9.212 -7.184 1.00 0.00 C ATOM 909 O ASP A 59 4.930 -8.639 -6.410 1.00 0.00 O ATOM 910 CB ASP A 59 5.615 -11.447 -7.571 1.00 0.00 C ATOM 911 CG ASP A 59 6.871 -10.750 -7.014 1.00 0.00 C ATOM 912 OD1 ASP A 59 7.359 -9.789 -7.653 1.00 0.00 O ATOM 913 OD2 ASP A 59 7.477 -11.243 -6.046 1.00 0.00 O ATOM 0 H ASP A 59 2.303 -11.437 -7.911 1.00 0.00 H new ATOM 0 HA ASP A 59 3.912 -11.132 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.579 -12.452 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.746 -11.556 -8.648 1.00 0.00 H new ATOM 918 N ARG A 60 3.247 -8.548 -7.892 1.00 0.00 N ATOM 919 CA ARG A 60 3.104 -7.067 -7.884 1.00 0.00 C ATOM 920 C ARG A 60 1.627 -6.564 -7.736 1.00 0.00 C ATOM 921 O ARG A 60 0.726 -6.931 -8.505 1.00 0.00 O ATOM 922 CB ARG A 60 3.731 -6.434 -9.130 1.00 0.00 C ATOM 923 CG ARG A 60 5.116 -5.863 -8.924 1.00 0.00 C ATOM 924 CD ARG A 60 6.161 -6.920 -8.691 1.00 0.00 C ATOM 925 NE ARG A 60 7.460 -6.344 -8.351 1.00 0.00 N ATOM 926 CZ ARG A 60 8.544 -6.419 -9.122 1.00 0.00 C ATOM 927 NH1 ARG A 60 8.480 -7.026 -10.311 1.00 0.00 N ATOM 928 NH2 ARG A 60 9.689 -5.916 -8.703 1.00 0.00 N ATOM 0 H ARG A 60 2.563 -9.020 -8.483 1.00 0.00 H new ATOM 0 HA ARG A 60 3.642 -6.745 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.777 -7.186 -9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.075 -5.639 -9.486 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.393 -5.273 -9.798 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.099 -5.183 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.836 -7.579 -7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.260 -7.534 -9.586 1.00 0.00 H new ATOM 0 HE ARG A 60 7.543 -5.850 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.600 -7.433 -10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.311 -7.083 -10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.745 -5.469 -7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.518 -5.974 -9.294 1.00 0.00 H new ATOM 942 N ALA A 61 1.447 -5.622 -6.842 1.00 0.00 N ATOM 943 CA ALA A 61 0.124 -5.055 -6.458 1.00 0.00 C ATOM 944 C ALA A 61 0.303 -3.557 -6.201 1.00 0.00 C ATOM 945 O ALA A 61 1.463 -3.105 -6.113 1.00 0.00 O ATOM 946 CB ALA A 61 -0.291 -5.702 -5.132 1.00 0.00 C ATOM 0 H ALA A 61 2.223 -5.199 -6.332 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.616 -5.232 -7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.259 -5.307 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.364 -6.782 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.454 -5.477 -4.369 1.00 0.00 H new ATOM 952 N ILE A 62 -0.786 -2.745 -6.111 1.00 0.00 N ATOM 953 CA ILE A 62 -0.587 -1.375 -5.612 1.00 0.00 C ATOM 954 C ILE A 62 -1.762 -0.924 -4.821 1.00 0.00 C ATOM 955 O ILE A 62 -2.893 -1.412 -5.050 1.00 0.00 O ATOM 956 CB ILE A 62 -0.395 -0.234 -6.695 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.717 0.537 -6.955 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.162 -0.746 -7.995 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.510 1.798 -7.735 1.00 0.00 C ATOM 0 H ILE A 62 -1.742 -2.998 -6.360 1.00 0.00 H new ATOM 0 HA ILE A 62 0.339 -1.481 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 62 0.338 0.452 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.409 -0.109 -7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.185 0.778 -6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.271 0.082 -8.696 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.136 -1.202 -7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.516 -1.489 -8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.469 2.294 -7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.841 2.460 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.069 1.559 -8.703 1.00 0.00 H new ATOM 971 N PHE A 63 -1.504 0.067 -3.971 1.00 0.00 N ATOM 972 CA PHE A 63 -2.541 0.881 -3.393 1.00 0.00 C ATOM 973 C PHE A 63 -2.160 2.371 -3.468 1.00 0.00 C ATOM 974 O PHE A 63 -1.243 2.856 -2.805 1.00 0.00 O ATOM 975 CB PHE A 63 -3.172 0.392 -2.022 1.00 0.00 C ATOM 976 CG PHE A 63 -2.245 0.007 -0.904 1.00 0.00 C ATOM 977 CD1 PHE A 63 -1.623 -1.221 -0.915 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.013 0.852 0.174 1.00 0.00 C ATOM 979 CE1 PHE A 63 -0.775 -1.590 0.097 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.160 0.478 1.182 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.532 -0.739 1.142 1.00 0.00 C ATOM 0 H PHE A 63 -0.563 0.320 -3.670 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.415 0.737 -4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.823 1.185 -1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.807 -0.467 -2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.806 -1.903 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.508 1.811 0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.296 -2.557 0.070 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.983 1.147 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.150 -1.025 1.929 1.00 0.00 H new ATOM 991 N MET A 64 -2.783 3.059 -4.398 1.00 0.00 N ATOM 992 CA MET A 64 -2.526 4.510 -4.580 1.00 0.00 C ATOM 993 C MET A 64 -3.377 5.304 -3.636 1.00 0.00 C ATOM 994 O MET A 64 -4.586 5.372 -3.796 1.00 0.00 O ATOM 995 CB MET A 64 -2.709 4.997 -6.047 1.00 0.00 C ATOM 996 CG MET A 64 -2.583 6.524 -6.228 1.00 0.00 C ATOM 997 SD MET A 64 -2.514 7.050 -7.945 1.00 0.00 S ATOM 998 CE MET A 64 -2.243 8.821 -7.743 1.00 0.00 C ATOM 0 H MET A 64 -3.467 2.663 -5.043 1.00 0.00 H new ATOM 0 HA MET A 64 -1.474 4.675 -4.347 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.967 4.506 -6.676 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.689 4.680 -6.403 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.431 7.009 -5.743 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.684 6.868 -5.716 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.177 9.293 -8.723 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.073 9.255 -7.186 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.314 8.987 -7.197 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.728 5.906 -2.681 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.356 6.599 -1.591 1.00 0.00 C ATOM 1010 C LEU A 65 -3.347 8.075 -1.759 1.00 0.00 C ATOM 1011 O LEU A 65 -2.406 8.665 -2.309 1.00 0.00 O ATOM 1012 CB LEU A 65 -2.792 6.252 -0.247 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.366 6.747 0.064 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -1.176 6.823 1.510 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.303 5.877 -0.565 1.00 0.00 C ATOM 0 H LEU A 65 -1.709 5.929 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.387 6.247 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.462 6.651 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.803 5.167 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.258 7.740 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.167 7.173 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.900 7.517 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.319 5.835 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.683 6.269 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.395 4.859 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.429 5.874 -1.648 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.370 8.651 -1.239 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.643 10.077 -1.428 1.00 0.00 C ATOM 1029 C ARG A 66 -4.541 10.954 -0.144 1.00 0.00 C ATOM 1030 O ARG A 66 -3.720 11.863 -0.124 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.926 10.313 -2.272 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.351 11.765 -2.430 1.00 0.00 C ATOM 1033 CD ARG A 66 -5.319 12.576 -3.194 1.00 0.00 C ATOM 1034 NE ARG A 66 -5.777 13.946 -3.452 1.00 0.00 N ATOM 1035 CZ ARG A 66 -4.970 14.998 -3.679 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -3.658 14.892 -3.456 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -5.488 16.170 -4.051 1.00 0.00 N ATOM 0 H ARG A 66 -5.059 8.167 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.811 10.453 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.770 9.889 -3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.747 9.761 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.307 11.809 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.505 12.208 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.389 12.606 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.099 12.083 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.783 14.113 -3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.268 14.014 -3.114 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.045 15.689 -3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.497 16.269 -4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.875 16.967 -4.223 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.377 10.720 0.902 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.290 11.493 2.188 1.00 0.00 C ATOM 1053 C ASP A 67 -3.833 11.658 2.803 1.00 0.00 C ATOM 1054 O ASP A 67 -3.613 12.554 3.615 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.214 10.844 3.233 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.332 11.618 4.521 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -7.098 12.599 4.578 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -5.691 11.246 5.497 1.00 0.00 O ATOM 0 H ASP A 67 -6.113 10.014 0.890 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.604 12.505 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.208 10.728 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.844 9.843 3.456 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.834 10.837 2.388 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.524 10.903 2.995 1.00 0.00 C ATOM 1065 C GLY A 68 -1.401 10.150 4.327 1.00 0.00 C ATOM 1066 O GLY A 68 -0.288 9.839 4.748 1.00 0.00 O ATOM 0 H GLY A 68 -2.929 10.141 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.792 10.499 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.265 11.949 3.158 1.00 0.00 H new ATOM 1070 N SER A 69 -2.517 9.807 4.953 1.00 0.00 N ATOM 1071 CA SER A 69 -2.472 9.332 6.343 1.00 0.00 C ATOM 1072 C SER A 69 -2.993 7.903 6.552 1.00 0.00 C ATOM 1073 O SER A 69 -3.515 7.613 7.630 1.00 0.00 O ATOM 1074 CB SER A 69 -3.374 10.243 7.150 1.00 0.00 C ATOM 1075 OG SER A 69 -3.325 11.569 6.673 1.00 0.00 O ATOM 0 H SER A 69 -3.449 9.844 4.539 1.00 0.00 H new ATOM 0 HA SER A 69 -1.424 9.339 6.644 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.399 9.876 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.074 10.220 8.198 1.00 0.00 H new ATOM 0 HG SER A 69 -4.134 11.760 6.154 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.822 6.992 5.616 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.449 5.683 5.824 1.00 0.00 C ATOM 1083 C TYR A 70 -2.854 4.471 5.079 1.00 0.00 C ATOM 1084 O TYR A 70 -3.357 3.364 5.245 1.00 0.00 O ATOM 1085 CB TYR A 70 -4.988 5.753 5.630 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.513 6.416 4.342 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.868 6.282 3.118 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.688 7.146 4.366 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.369 6.848 1.970 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -7.194 7.711 3.230 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.533 7.558 2.029 1.00 0.00 C ATOM 1092 OH TYR A 70 -7.040 8.144 0.885 1.00 0.00 O ATOM 0 H TYR A 70 -2.291 7.109 4.753 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.202 5.472 6.865 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.378 4.736 5.668 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.410 6.289 6.480 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.948 5.718 3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.215 7.271 5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.847 6.732 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.112 8.278 3.272 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.721 7.559 0.492 1.00 0.00 H new ATOM 1102 N ALA A 71 -1.781 4.619 4.323 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.310 3.468 3.534 1.00 0.00 C ATOM 1104 C ALA A 71 -0.533 2.467 4.337 1.00 0.00 C ATOM 1105 O ALA A 71 -0.537 1.279 4.039 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.491 3.886 2.350 1.00 0.00 C ATOM 0 H ALA A 71 -1.234 5.475 4.231 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.224 2.985 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.168 3.002 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.092 4.519 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.383 4.442 2.690 1.00 0.00 H new ATOM 1112 N TRP A 72 0.111 2.891 5.367 1.00 0.00 N ATOM 1113 CA TRP A 72 0.951 1.972 6.028 1.00 0.00 C ATOM 1114 C TRP A 72 0.250 1.158 7.108 1.00 0.00 C ATOM 1115 O TRP A 72 0.715 0.086 7.551 1.00 0.00 O ATOM 1116 CB TRP A 72 2.356 2.541 6.254 1.00 0.00 C ATOM 1117 CG TRP A 72 2.990 2.724 4.874 1.00 0.00 C ATOM 1118 CD1 TRP A 72 3.645 1.777 4.167 1.00 0.00 C ATOM 1119 CD2 TRP A 72 2.953 3.888 3.997 1.00 0.00 C ATOM 1120 NE1 TRP A 72 4.001 2.267 2.925 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.597 3.523 2.801 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.452 5.179 4.091 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.741 4.380 1.726 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.621 6.027 2.998 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.265 5.591 1.833 1.00 0.00 C ATOM 0 H TRP A 72 0.073 3.834 5.755 1.00 0.00 H new ATOM 0 HA TRP A 72 1.189 1.138 5.367 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.307 3.492 6.785 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.952 1.865 6.866 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.860 0.780 4.522 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.501 1.740 2.209 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.947 5.516 4.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.234 4.056 0.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.248 7.039 3.050 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.370 6.274 1.003 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.938 1.603 7.435 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.836 0.797 8.196 1.00 0.00 C ATOM 1138 C GLU A 73 -2.399 -0.276 7.227 1.00 0.00 C ATOM 1139 O GLU A 73 -2.698 -1.457 7.601 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.965 1.631 8.854 1.00 0.00 C ATOM 1141 CG GLU A 73 -2.500 2.675 9.884 1.00 0.00 C ATOM 1142 CD GLU A 73 -1.953 3.962 9.283 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -0.824 3.971 8.742 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -2.641 4.998 9.376 1.00 0.00 O ATOM 0 H GLU A 73 -1.299 2.523 7.181 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.311 0.330 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.520 2.143 8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.660 0.948 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.339 2.922 10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.730 2.227 10.512 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.466 0.104 5.942 1.00 0.00 N ATOM 1152 CA ILE A 74 -2.844 -0.829 4.936 1.00 0.00 C ATOM 1153 C ILE A 74 -1.685 -1.892 4.799 1.00 0.00 C ATOM 1154 O ILE A 74 -1.920 -3.086 4.546 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.186 -0.170 3.544 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.359 0.809 3.606 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.577 -1.250 2.607 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.539 1.687 2.391 1.00 0.00 C ATOM 0 H ILE A 74 -2.261 1.044 5.604 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.774 -1.304 5.248 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.300 0.381 3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.276 0.240 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.230 1.449 4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.819 -0.819 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.751 -1.953 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.449 -1.774 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.397 2.342 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.643 2.290 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.706 1.063 1.513 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.432 -1.430 5.021 1.00 0.00 N ATOM 1171 CA LYS A 75 0.760 -2.306 5.064 1.00 0.00 C ATOM 1172 C LYS A 75 0.566 -3.357 6.177 1.00 0.00 C ATOM 1173 O LYS A 75 0.879 -4.590 5.996 1.00 0.00 O ATOM 1174 CB LYS A 75 2.046 -1.438 5.280 1.00 0.00 C ATOM 1175 CG LYS A 75 3.423 -2.152 5.281 1.00 0.00 C ATOM 1176 CD LYS A 75 3.639 -3.071 6.479 1.00 0.00 C ATOM 1177 CE LYS A 75 5.032 -3.674 6.507 1.00 0.00 C ATOM 1178 NZ LYS A 75 6.066 -2.667 6.805 1.00 0.00 N ATOM 0 H LYS A 75 -0.221 -0.444 5.175 1.00 0.00 H new ATOM 0 HA LYS A 75 0.885 -2.835 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.067 -0.676 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.940 -0.918 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.520 -2.735 4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.212 -1.400 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.471 -2.510 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.900 -3.872 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.069 -4.464 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.245 -4.138 5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.008 -3.090 6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.961 -1.860 6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.959 -2.340 7.786 1.00 0.00 H new ATOM 1192 N ASP A 76 0.076 -2.882 7.325 1.00 0.00 N ATOM 1193 CA ASP A 76 -0.308 -3.791 8.415 1.00 0.00 C ATOM 1194 C ASP A 76 -1.219 -4.888 7.858 1.00 0.00 C ATOM 1195 O ASP A 76 -0.929 -6.101 8.034 1.00 0.00 O ATOM 1196 CB ASP A 76 -1.010 -3.042 9.556 1.00 0.00 C ATOM 1197 CG ASP A 76 -1.492 -3.942 10.685 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -0.692 -4.301 11.576 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -2.690 -4.273 10.719 1.00 0.00 O ATOM 0 H ASP A 76 -0.064 -1.892 7.525 1.00 0.00 H new ATOM 0 HA ASP A 76 0.597 -4.237 8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.325 -2.299 9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.863 -2.499 9.149 1.00 0.00 H new ATOM 1204 N PHE A 77 -2.272 -4.483 7.104 1.00 0.00 N ATOM 1205 CA PHE A 77 -3.148 -5.514 6.486 1.00 0.00 C ATOM 1206 C PHE A 77 -2.360 -6.495 5.610 1.00 0.00 C ATOM 1207 O PHE A 77 -2.581 -7.655 5.717 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.330 -4.985 5.661 1.00 0.00 C ATOM 1209 CG PHE A 77 -5.243 -4.025 6.375 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -6.010 -4.449 7.446 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.352 -2.713 5.961 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -6.861 -3.579 8.093 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -6.199 -1.835 6.603 1.00 0.00 C ATOM 1214 CZ PHE A 77 -6.955 -2.270 7.671 1.00 0.00 C ATOM 0 H PHE A 77 -2.527 -3.513 6.916 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.567 -6.015 7.359 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.937 -4.492 4.772 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.921 -5.835 5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.941 -5.474 7.779 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.765 -2.369 5.122 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.453 -3.922 8.929 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.270 -0.810 6.271 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.620 -1.586 8.177 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.412 -6.011 4.773 1.00 0.00 N ATOM 1225 CA LEU A 78 -0.616 -6.923 3.851 1.00 0.00 C ATOM 1226 C LEU A 78 -0.067 -8.080 4.628 1.00 0.00 C ATOM 1227 O LEU A 78 -0.396 -9.310 4.397 1.00 0.00 O ATOM 1228 CB LEU A 78 0.683 -6.299 3.338 1.00 0.00 C ATOM 1229 CG LEU A 78 0.772 -4.853 3.067 1.00 0.00 C ATOM 1230 CD1 LEU A 78 2.200 -4.533 2.720 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -0.149 -4.451 1.993 1.00 0.00 C ATOM 0 H LEU A 78 -1.168 -5.023 4.701 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.318 -7.161 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.461 -6.537 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.942 -6.814 2.413 1.00 0.00 H new ATOM 0 HG LEU A 78 0.473 -4.290 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.294 -3.467 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.846 -4.800 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.496 -5.100 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.058 -3.379 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.100 -4.990 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.173 -4.686 2.285 1.00 0.00 H new ATOM 1243 N VAL A 79 0.745 -7.679 5.603 1.00 0.00 N ATOM 1244 CA VAL A 79 1.519 -8.604 6.368 1.00 0.00 C ATOM 1245 C VAL A 79 0.665 -9.346 7.365 1.00 0.00 C ATOM 1246 O VAL A 79 1.108 -10.300 8.015 1.00 0.00 O ATOM 1247 CB VAL A 79 2.761 -7.929 6.999 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.595 -7.323 5.888 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.385 -6.850 7.990 1.00 0.00 C ATOM 0 H VAL A 79 0.872 -6.703 5.871 1.00 0.00 H new ATOM 0 HA VAL A 79 1.910 -9.360 5.687 1.00 0.00 H new ATOM 0 HB VAL A 79 3.322 -8.688 7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.475 -6.842 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.908 -8.107 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.002 -6.583 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.290 -6.406 8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.802 -6.080 7.485 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.792 -7.285 8.794 1.00 0.00 H new ATOM 1259 N SER A 80 -0.564 -8.916 7.472 1.00 0.00 N ATOM 1260 CA SER A 80 -1.522 -9.626 8.252 1.00 0.00 C ATOM 1261 C SER A 80 -2.514 -10.401 7.350 1.00 0.00 C ATOM 1262 O SER A 80 -3.345 -11.156 7.865 1.00 0.00 O ATOM 1263 CB SER A 80 -2.255 -8.683 9.189 1.00 0.00 C ATOM 1264 OG SER A 80 -1.326 -7.902 9.932 1.00 0.00 O ATOM 0 H SER A 80 -0.919 -8.072 7.023 1.00 0.00 H new ATOM 0 HA SER A 80 -0.989 -10.358 8.858 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.913 -8.030 8.616 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.886 -9.254 9.870 1.00 0.00 H new ATOM 0 HG SER A 80 -1.043 -7.132 9.395 1.00 0.00 H new ATOM 1270 N GLN A 81 -2.449 -10.237 5.996 1.00 0.00 N ATOM 1271 CA GLN A 81 -3.318 -10.998 5.170 1.00 0.00 C ATOM 1272 C GLN A 81 -2.666 -12.296 4.941 1.00 0.00 C ATOM 1273 O GLN A 81 -3.227 -13.343 5.326 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.646 -10.296 3.858 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.559 -9.075 3.992 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.961 -9.420 4.442 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.833 -9.696 3.619 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -6.216 -9.346 5.711 1.00 0.00 N ATOM 0 H GLN A 81 -1.818 -9.602 5.508 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.279 -11.128 5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.714 -9.985 3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.119 -11.013 3.187 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.118 -8.377 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.610 -8.561 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.471 -9.115 6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.162 -9.519 6.052 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.432 -12.242 4.403 1.00 0.00 N ATOM 1288 CA ASP A 82 -0.628 -13.479 4.183 1.00 0.00 C ATOM 1289 C ASP A 82 0.764 -13.258 3.571 1.00 0.00 C ATOM 1290 O ASP A 82 1.731 -13.153 4.333 1.00 0.00 O ATOM 1291 CB ASP A 82 -1.404 -14.685 3.562 1.00 0.00 C ATOM 1292 CG ASP A 82 -0.523 -15.868 3.272 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -0.099 -16.559 4.225 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -0.292 -16.164 2.107 1.00 0.00 O ATOM 0 H ASP A 82 -0.970 -11.379 4.115 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.423 -13.797 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.197 -14.989 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.885 -14.363 2.638 1.00 0.00 H new ATOM 1299 N ARG A 83 0.912 -13.162 2.237 1.00 0.00 N ATOM 1300 CA ARG A 83 2.226 -12.971 1.704 1.00 0.00 C ATOM 1301 C ARG A 83 2.534 -11.498 1.662 1.00 0.00 C ATOM 1302 O ARG A 83 1.647 -10.681 1.425 1.00 0.00 O ATOM 1303 CB ARG A 83 2.406 -13.604 0.320 1.00 0.00 C ATOM 1304 CG ARG A 83 2.182 -15.114 0.241 1.00 0.00 C ATOM 1305 CD ARG A 83 2.936 -15.869 1.337 1.00 0.00 C ATOM 1306 NE ARG A 83 3.237 -17.263 0.953 1.00 0.00 N ATOM 1307 CZ ARG A 83 2.384 -18.296 0.894 1.00 0.00 C ATOM 1308 NH1 ARG A 83 1.103 -18.163 1.190 1.00 0.00 N ATOM 1309 NH2 ARG A 83 2.838 -19.477 0.534 1.00 0.00 N ATOM 0 H ARG A 83 0.158 -13.214 1.552 1.00 0.00 H new ATOM 0 HA ARG A 83 2.929 -13.480 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.719 -13.118 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.416 -13.388 -0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.116 -15.326 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.504 -15.477 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.867 -15.347 1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.342 -15.867 2.251 1.00 0.00 H new ATOM 0 HE ARG A 83 4.206 -17.463 0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.737 -17.254 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.480 -18.969 1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.825 -19.596 0.305 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.203 -20.274 0.484 1.00 0.00 H new ATOM 1323 N CYS A 84 3.764 -11.168 1.910 1.00 0.00 N ATOM 1324 CA CYS A 84 4.194 -9.794 1.992 1.00 0.00 C ATOM 1325 C CYS A 84 5.717 -9.737 1.773 1.00 0.00 C ATOM 1326 O CYS A 84 6.417 -10.691 2.140 1.00 0.00 O ATOM 1327 CB CYS A 84 3.825 -9.314 3.384 1.00 0.00 C ATOM 1328 SG CYS A 84 4.411 -10.434 4.688 1.00 0.00 S ATOM 0 H CYS A 84 4.510 -11.847 2.064 1.00 0.00 H new ATOM 0 HA CYS A 84 3.723 -9.164 1.237 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.247 -8.322 3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.742 -9.215 3.455 1.00 0.00 H new ATOM 0 HG CYS A 84 5.477 -11.056 4.279 1.00 0.00 H new ATOM 1334 N ALA A 85 6.238 -8.665 1.177 1.00 0.00 N ATOM 1335 CA ALA A 85 7.655 -8.585 0.885 1.00 0.00 C ATOM 1336 C ALA A 85 8.183 -7.182 0.674 1.00 0.00 C ATOM 1337 O ALA A 85 9.222 -6.839 1.236 1.00 0.00 O ATOM 1338 CB ALA A 85 8.032 -9.477 -0.265 1.00 0.00 C ATOM 0 H ALA A 85 5.698 -7.848 0.891 1.00 0.00 H new ATOM 0 HA ALA A 85 8.143 -8.944 1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.102 -9.392 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.789 -10.511 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.479 -9.176 -1.155 1.00 0.00 H new ATOM 1344 N GLU A 86 7.496 -6.348 -0.073 1.00 0.00 N ATOM 1345 CA GLU A 86 8.060 -5.073 -0.389 1.00 0.00 C ATOM 1346 C GLU A 86 7.014 -4.011 -0.337 1.00 0.00 C ATOM 1347 O GLU A 86 6.021 -4.046 -1.071 1.00 0.00 O ATOM 1348 CB GLU A 86 8.748 -5.123 -1.748 1.00 0.00 C ATOM 1349 CG GLU A 86 9.412 -3.835 -2.189 1.00 0.00 C ATOM 1350 CD GLU A 86 10.072 -3.980 -3.526 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.249 -4.374 -3.579 1.00 0.00 O ATOM 1352 OE2 GLU A 86 9.431 -3.709 -4.555 1.00 0.00 O ATOM 0 H GLU A 86 6.570 -6.530 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 86 8.815 -4.824 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.501 -5.911 -1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.011 -5.407 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.668 -3.040 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.153 -3.536 -1.448 1.00 0.00 H new ATOM 1359 N VAL A 87 7.237 -3.098 0.532 1.00 0.00 N ATOM 1360 CA VAL A 87 6.372 -2.002 0.763 1.00 0.00 C ATOM 1361 C VAL A 87 7.081 -0.716 0.329 1.00 0.00 C ATOM 1362 O VAL A 87 7.995 -0.227 1.005 1.00 0.00 O ATOM 1363 CB VAL A 87 5.950 -1.966 2.267 1.00 0.00 C ATOM 1364 CG1 VAL A 87 7.145 -2.150 3.193 1.00 0.00 C ATOM 1365 CG2 VAL A 87 5.230 -0.687 2.602 1.00 0.00 C ATOM 0 H VAL A 87 8.064 -3.093 1.129 1.00 0.00 H new ATOM 0 HA VAL A 87 5.458 -2.102 0.177 1.00 0.00 H new ATOM 0 HB VAL A 87 5.268 -2.801 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.810 -2.119 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.616 -3.112 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.866 -1.351 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.950 -0.692 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.885 0.162 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.333 -0.603 1.988 1.00 0.00 H new ATOM 1375 N THR A 88 6.724 -0.198 -0.818 1.00 0.00 N ATOM 1376 CA THR A 88 7.405 0.971 -1.295 1.00 0.00 C ATOM 1377 C THR A 88 6.523 2.185 -1.508 1.00 0.00 C ATOM 1378 O THR A 88 5.479 2.126 -2.211 1.00 0.00 O ATOM 1379 CB THR A 88 8.291 0.681 -2.530 1.00 0.00 C ATOM 1380 OG1 THR A 88 7.615 -0.175 -3.465 1.00 0.00 O ATOM 1381 CG2 THR A 88 9.606 0.049 -2.113 1.00 0.00 C ATOM 0 H THR A 88 5.986 -0.557 -1.423 1.00 0.00 H new ATOM 0 HA THR A 88 8.063 1.245 -0.471 1.00 0.00 H new ATOM 0 HB THR A 88 8.495 1.634 -3.018 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.663 -0.221 -3.237 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.213 -0.146 -2.997 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.141 0.727 -1.448 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.410 -0.889 -1.593 1.00 0.00 H new ATOM 1389 N LEU A 89 6.934 3.266 -0.847 1.00 0.00 N ATOM 1390 CA LEU A 89 6.375 4.581 -1.008 1.00 0.00 C ATOM 1391 C LEU A 89 6.928 5.151 -2.379 1.00 0.00 C ATOM 1392 O LEU A 89 7.930 5.808 -2.468 1.00 0.00 O ATOM 1393 CB LEU A 89 6.620 5.409 0.384 1.00 0.00 C ATOM 1394 CG LEU A 89 6.749 6.967 0.531 1.00 0.00 C ATOM 1395 CD1 LEU A 89 5.454 7.673 0.342 1.00 0.00 C ATOM 1396 CD2 LEU A 89 7.245 7.302 1.927 1.00 0.00 C ATOM 0 H LEU A 89 7.692 3.235 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 89 5.293 4.641 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.802 5.120 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.535 4.998 0.811 1.00 0.00 H new ATOM 0 HG LEU A 89 7.443 7.296 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.605 8.747 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.068 7.464 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.739 7.327 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.335 8.383 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.537 6.924 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.219 6.839 2.088 1.00 0.00 H new