USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 482 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 Single : B 16 CYS SG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0.129 USER MOD Single : B 22 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.2) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ -144:sc= -1.16 (180deg=-3.02!) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -179:sc= 0.292 (180deg=0.245) USER MOD Single : B 49 ASN : amide:sc= -0.521 K(o=-0.52,f=-3.6!) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N CYS B 16 12.065 -0.842 -0.888 1.00 0.00 N ATOM 139 CA CYS B 16 13.362 -0.273 -1.218 1.00 0.00 C ATOM 140 C CYS B 16 13.345 1.256 -1.122 1.00 0.00 C ATOM 141 O CYS B 16 14.337 1.906 -1.457 1.00 0.00 O ATOM 142 CB CYS B 16 13.774 -0.724 -2.618 1.00 0.00 C ATOM 143 SG CYS B 16 14.031 -2.518 -2.614 1.00 0.00 S ATOM 0 HA CYS B 16 14.093 -0.633 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.003 -0.457 -3.341 1.00 0.00 H new ATOM 0 HB3 CYS B 16 14.688 -0.214 -2.923 1.00 0.00 H new ATOM 0 HG CYS B 16 14.380 -2.909 -3.804 1.00 0.00 H new ATOM 149 N ARG B 17 12.227 1.834 -0.672 1.00 0.00 N ATOM 150 CA ARG B 17 12.095 3.276 -0.526 1.00 0.00 C ATOM 151 C ARG B 17 12.890 3.801 0.664 1.00 0.00 C ATOM 152 O ARG B 17 13.042 3.115 1.674 1.00 0.00 O ATOM 153 CB ARG B 17 10.620 3.674 -0.386 1.00 0.00 C ATOM 154 CG ARG B 17 9.879 3.448 -1.702 1.00 0.00 C ATOM 155 CD ARG B 17 8.464 4.037 -1.615 1.00 0.00 C ATOM 156 NE ARG B 17 7.700 3.755 -2.838 1.00 0.00 N ATOM 157 CZ ARG B 17 7.857 4.416 -3.988 1.00 0.00 C ATOM 158 NH1 ARG B 17 8.725 5.422 -4.087 1.00 0.00 N ATOM 159 NH2 ARG B 17 7.141 4.080 -5.052 1.00 0.00 N ATOM 0 H ARG B 17 11.394 1.312 -0.401 1.00 0.00 H new ATOM 0 HA ARG B 17 12.504 3.729 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG B 17 10.153 3.089 0.406 1.00 0.00 H new ATOM 0 HB3 ARG B 17 10.546 4.722 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG B 17 10.426 3.914 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG B 17 9.825 2.381 -1.920 1.00 0.00 H new ATOM 0 HD2 ARG B 17 7.945 3.619 -0.753 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.524 5.114 -1.459 1.00 0.00 H new ATOM 0 HE ARG B 17 7.006 3.008 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.281 5.697 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG B 17 8.833 5.917 -4.972 1.00 0.00 H new ATOM 0 HH21 ARG B 17 6.469 3.315 -4.993 1.00 0.00 H new ATOM 0 HH22 ARG B 17 7.263 4.586 -5.929 1.00 0.00 H new ATOM 173 N ILE B 18 13.392 5.032 0.537 1.00 0.00 N ATOM 174 CA ILE B 18 14.047 5.757 1.618 1.00 0.00 C ATOM 175 C ILE B 18 13.592 7.211 1.579 1.00 0.00 C ATOM 176 O ILE B 18 12.826 7.609 0.701 1.00 0.00 O ATOM 177 CB ILE B 18 15.577 5.662 1.501 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.104 6.516 0.339 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.012 4.205 1.353 1.00 0.00 C ATOM 180 CD1 ILE B 18 17.632 6.568 0.358 1.00 0.00 C ATOM 0 H ILE B 18 13.352 5.558 -0.336 1.00 0.00 H new ATOM 0 HA ILE B 18 13.767 5.311 2.572 1.00 0.00 H new ATOM 0 HB ILE B 18 16.011 6.058 2.419 1.00 0.00 H new ATOM 0 HG12 ILE B 18 15.761 6.101 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE B 18 15.700 7.526 0.410 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.098 4.156 1.271 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.688 3.638 2.226 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.561 3.780 0.456 1.00 0.00 H new ATOM 0 HD11 ILE B 18 17.986 7.178 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE B 18 17.970 7.005 1.298 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.032 5.558 0.263 1.00 0.00 H new ATOM 192 N TYR B 19 14.072 7.998 2.541 1.00 0.00 N ATOM 193 CA TYR B 19 13.708 9.401 2.704 1.00 0.00 C ATOM 194 C TYR B 19 14.870 10.376 2.536 1.00 0.00 C ATOM 195 O TYR B 19 16.020 10.038 2.820 1.00 0.00 O ATOM 196 CB TYR B 19 12.904 9.608 3.997 1.00 0.00 C ATOM 197 CG TYR B 19 13.001 10.991 4.611 1.00 0.00 C ATOM 198 CD1 TYR B 19 14.108 11.311 5.410 1.00 0.00 C ATOM 199 CD2 TYR B 19 11.983 11.939 4.405 1.00 0.00 C ATOM 200 CE1 TYR B 19 14.197 12.569 6.023 1.00 0.00 C ATOM 201 CE2 TYR B 19 12.069 13.204 5.013 1.00 0.00 C ATOM 202 CZ TYR B 19 13.178 13.523 5.823 1.00 0.00 C ATOM 203 OH TYR B 19 13.266 14.747 6.418 1.00 0.00 O ATOM 0 H TYR B 19 14.737 7.670 3.241 1.00 0.00 H new ATOM 0 HA TYR B 19 13.052 9.654 1.871 1.00 0.00 H new ATOM 0 HB2 TYR B 19 11.855 9.394 3.790 1.00 0.00 H new ATOM 0 HB3 TYR B 19 13.239 8.878 4.734 1.00 0.00 H new ATOM 0 HD1 TYR B 19 14.895 10.586 5.554 1.00 0.00 H new ATOM 0 HD2 TYR B 19 11.136 11.696 3.781 1.00 0.00 H new ATOM 0 HE1 TYR B 19 15.045 12.807 6.648 1.00 0.00 H new ATOM 0 HE2 TYR B 19 11.285 13.931 4.859 1.00 0.00 H new ATOM 0 HH TYR B 19 12.483 15.285 6.177 1.00 0.00 H new ATOM 213 N VAL B 20 14.556 11.589 2.074 1.00 0.00 N ATOM 214 CA VAL B 20 15.534 12.644 1.857 1.00 0.00 C ATOM 215 C VAL B 20 14.954 13.969 2.331 1.00 0.00 C ATOM 216 O VAL B 20 13.760 14.210 2.167 1.00 0.00 O ATOM 217 CB VAL B 20 15.919 12.709 0.375 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.003 13.765 0.150 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.427 11.354 -0.114 1.00 0.00 C ATOM 0 H VAL B 20 13.602 11.864 1.839 1.00 0.00 H new ATOM 0 HA VAL B 20 16.438 12.432 2.428 1.00 0.00 H new ATOM 0 HB VAL B 20 15.027 12.979 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.265 13.798 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.631 14.741 0.462 1.00 0.00 H new ATOM 0 HG13 VAL B 20 17.887 13.510 0.735 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.694 11.425 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.304 11.064 0.464 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.645 10.605 0.013 1.00 0.00 H new ATOM 229 N GLY B 21 15.788 14.833 2.916 1.00 0.00 N ATOM 230 CA GLY B 21 15.314 16.090 3.467 1.00 0.00 C ATOM 231 C GLY B 21 16.435 17.116 3.593 1.00 0.00 C ATOM 232 O GLY B 21 17.591 16.836 3.268 1.00 0.00 O ATOM 0 H GLY B 21 16.791 14.679 3.017 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.525 16.491 2.830 1.00 0.00 H new ATOM 0 HA3 GLY B 21 14.873 15.913 4.448 1.00 0.00 H new ATOM 236 N ASN B 22 16.075 18.310 4.070 1.00 0.00 N ATOM 237 CA ASN B 22 16.977 19.444 4.201 1.00 0.00 C ATOM 238 C ASN B 22 17.592 19.835 2.852 1.00 0.00 C ATOM 239 O ASN B 22 18.679 20.411 2.812 1.00 0.00 O ATOM 240 CB ASN B 22 18.052 19.146 5.249 1.00 0.00 C ATOM 241 CG ASN B 22 18.761 20.428 5.665 1.00 0.00 C ATOM 242 OD1 ASN B 22 18.117 21.419 5.996 1.00 0.00 O ATOM 243 ND2 ASN B 22 20.091 20.415 5.653 1.00 0.00 N ATOM 0 H ASN B 22 15.125 18.514 4.381 1.00 0.00 H new ATOM 0 HA ASN B 22 16.399 20.303 4.542 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.598 18.675 6.121 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.776 18.438 4.845 1.00 0.00 H new ATOM 0 HD21 ASN B 22 20.612 21.249 5.925 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.590 19.571 5.371 1.00 0.00 H new ATOM 250 N LEU B 23 16.912 19.526 1.745 1.00 0.00 N ATOM 251 CA LEU B 23 17.397 19.897 0.425 1.00 0.00 C ATOM 252 C LEU B 23 17.407 21.421 0.295 1.00 0.00 C ATOM 253 O LEU B 23 16.488 22.085 0.778 1.00 0.00 O ATOM 254 CB LEU B 23 16.505 19.271 -0.652 1.00 0.00 C ATOM 255 CG LEU B 23 16.558 17.740 -0.619 1.00 0.00 C ATOM 256 CD1 LEU B 23 15.541 17.178 -1.607 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.952 17.242 -1.006 1.00 0.00 C ATOM 0 H LEU B 23 16.026 19.021 1.742 1.00 0.00 H new ATOM 0 HA LEU B 23 18.413 19.525 0.291 1.00 0.00 H new ATOM 0 HB2 LEU B 23 15.476 19.602 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU B 23 16.819 19.624 -1.634 1.00 0.00 H new ATOM 0 HG LEU B 23 16.328 17.405 0.393 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.577 16.089 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU B 23 14.541 17.514 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU B 23 15.777 17.529 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.970 16.153 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU B 23 18.193 17.582 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.687 17.636 -0.304 1.00 0.00 H new ATOM 366 N LYS B 30 15.392 17.883 -10.977 1.00 0.00 N ATOM 367 CA LYS B 30 15.810 16.591 -11.507 1.00 0.00 C ATOM 368 C LYS B 30 17.212 16.182 -11.058 1.00 0.00 C ATOM 369 O LYS B 30 17.721 15.164 -11.521 1.00 0.00 O ATOM 370 CB LYS B 30 15.717 16.592 -13.032 1.00 0.00 C ATOM 371 CG LYS B 30 14.259 16.715 -13.488 1.00 0.00 C ATOM 372 CD LYS B 30 14.136 16.406 -14.980 1.00 0.00 C ATOM 373 CE LYS B 30 14.510 14.949 -15.250 1.00 0.00 C ATOM 374 NZ LYS B 30 14.311 14.601 -16.671 1.00 0.00 N ATOM 0 HA LYS B 30 15.126 15.848 -11.098 1.00 0.00 H new ATOM 0 HB2 LYS B 30 16.300 17.420 -13.436 1.00 0.00 H new ATOM 0 HB3 LYS B 30 16.150 15.674 -13.428 1.00 0.00 H new ATOM 0 HG2 LYS B 30 13.634 16.029 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS B 30 13.893 17.722 -13.288 1.00 0.00 H new ATOM 0 HD2 LYS B 30 13.116 16.595 -15.315 1.00 0.00 H new ATOM 0 HD3 LYS B 30 14.787 17.068 -15.551 1.00 0.00 H new ATOM 0 HE2 LYS B 30 15.551 14.781 -14.974 1.00 0.00 H new ATOM 0 HE3 LYS B 30 13.905 14.293 -14.624 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 14.573 13.606 -16.825 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 13.312 14.739 -16.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 14.908 15.212 -17.265 1.00 0.00 H new ATOM 388 N ASP B 31 17.848 16.948 -10.168 1.00 0.00 N ATOM 389 CA ASP B 31 19.147 16.543 -9.641 1.00 0.00 C ATOM 390 C ASP B 31 19.068 15.232 -8.866 1.00 0.00 C ATOM 391 O ASP B 31 20.013 14.442 -8.866 1.00 0.00 O ATOM 392 CB ASP B 31 19.756 17.664 -8.796 1.00 0.00 C ATOM 393 CG ASP B 31 20.341 18.787 -9.652 1.00 0.00 C ATOM 394 OD1 ASP B 31 20.458 18.586 -10.883 1.00 0.00 O ATOM 395 OD2 ASP B 31 20.663 19.841 -9.064 1.00 0.00 O ATOM 0 H ASP B 31 17.492 17.832 -9.805 1.00 0.00 H new ATOM 0 HA ASP B 31 19.807 16.361 -10.489 1.00 0.00 H new ATOM 0 HB2 ASP B 31 18.991 18.074 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP B 31 20.538 17.251 -8.159 1.00 0.00 H new ATOM 400 N ILE B 32 17.930 15.001 -8.204 1.00 0.00 N ATOM 401 CA ILE B 32 17.692 13.780 -7.447 1.00 0.00 C ATOM 402 C ILE B 32 17.384 12.611 -8.392 1.00 0.00 C ATOM 403 O ILE B 32 17.459 11.452 -7.989 1.00 0.00 O ATOM 404 CB ILE B 32 16.547 14.028 -6.455 1.00 0.00 C ATOM 405 CG1 ILE B 32 16.311 12.788 -5.582 1.00 0.00 C ATOM 406 CG2 ILE B 32 15.254 14.380 -7.194 1.00 0.00 C ATOM 407 CD1 ILE B 32 15.415 13.129 -4.388 1.00 0.00 C ATOM 0 H ILE B 32 17.151 15.659 -8.181 1.00 0.00 H new ATOM 0 HA ILE B 32 18.587 13.508 -6.888 1.00 0.00 H new ATOM 0 HB ILE B 32 16.834 14.866 -5.820 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.848 12.001 -6.177 1.00 0.00 H new ATOM 0 HG13 ILE B 32 17.266 12.400 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.457 14.551 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.407 15.282 -7.786 1.00 0.00 H new ATOM 0 HG23 ILE B 32 14.976 13.557 -7.853 1.00 0.00 H new ATOM 0 HD11 ILE B 32 15.260 12.236 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE B 32 15.893 13.900 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE B 32 14.453 13.494 -4.748 1.00 0.00 H new ATOM 419 N GLU B 33 17.038 12.913 -9.651 1.00 0.00 N ATOM 420 CA GLU B 33 16.712 11.887 -10.634 1.00 0.00 C ATOM 421 C GLU B 33 17.923 11.576 -11.511 1.00 0.00 C ATOM 422 O GLU B 33 17.923 10.572 -12.223 1.00 0.00 O ATOM 423 CB GLU B 33 15.547 12.367 -11.507 1.00 0.00 C ATOM 424 CG GLU B 33 14.353 12.784 -10.646 1.00 0.00 C ATOM 425 CD GLU B 33 13.103 13.034 -11.489 1.00 0.00 C ATOM 426 OE1 GLU B 33 12.031 13.236 -10.873 1.00 0.00 O ATOM 427 OE2 GLU B 33 13.228 13.025 -12.735 1.00 0.00 O ATOM 0 H GLU B 33 16.978 13.867 -10.008 1.00 0.00 H new ATOM 0 HA GLU B 33 16.425 10.976 -10.108 1.00 0.00 H new ATOM 0 HB2 GLU B 33 15.870 13.209 -12.120 1.00 0.00 H new ATOM 0 HB3 GLU B 33 15.248 11.572 -12.190 1.00 0.00 H new ATOM 0 HG2 GLU B 33 14.146 12.006 -9.911 1.00 0.00 H new ATOM 0 HG3 GLU B 33 14.604 13.688 -10.091 1.00 0.00 H new ATOM 434 N ASP B 34 18.954 12.429 -11.465 1.00 0.00 N ATOM 435 CA ASP B 34 20.120 12.291 -12.322 1.00 0.00 C ATOM 436 C ASP B 34 21.346 11.716 -11.616 1.00 0.00 C ATOM 437 O ASP B 34 21.764 10.599 -11.919 1.00 0.00 O ATOM 438 CB ASP B 34 20.441 13.621 -13.012 1.00 0.00 C ATOM 439 CG ASP B 34 19.434 13.976 -14.105 1.00 0.00 C ATOM 440 OD1 ASP B 34 19.593 15.076 -14.688 1.00 0.00 O ATOM 441 OD2 ASP B 34 18.518 13.158 -14.357 1.00 0.00 O ATOM 0 H ASP B 34 18.996 13.228 -10.833 1.00 0.00 H new ATOM 0 HA ASP B 34 19.855 11.553 -13.079 1.00 0.00 H new ATOM 0 HB2 ASP B 34 20.459 14.417 -12.267 1.00 0.00 H new ATOM 0 HB3 ASP B 34 21.439 13.569 -13.446 1.00 0.00 H new ATOM 446 N VAL B 35 21.928 12.467 -10.676 1.00 0.00 N ATOM 447 CA VAL B 35 23.186 12.062 -10.066 1.00 0.00 C ATOM 448 C VAL B 35 23.014 10.905 -9.087 1.00 0.00 C ATOM 449 O VAL B 35 23.870 10.025 -9.010 1.00 0.00 O ATOM 450 CB VAL B 35 23.894 13.270 -9.430 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.292 13.630 -8.071 1.00 0.00 C ATOM 452 CG2 VAL B 35 25.374 12.947 -9.229 1.00 0.00 C ATOM 0 H VAL B 35 21.549 13.348 -10.328 1.00 0.00 H new ATOM 0 HA VAL B 35 23.830 11.682 -10.859 1.00 0.00 H new ATOM 0 HB VAL B 35 23.767 14.117 -10.104 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.820 14.488 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL B 35 22.238 13.877 -8.194 1.00 0.00 H new ATOM 0 HG13 VAL B 35 23.389 12.781 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL B 35 25.875 13.803 -8.778 1.00 0.00 H new ATOM 0 HG22 VAL B 35 25.472 12.082 -8.573 1.00 0.00 H new ATOM 0 HG23 VAL B 35 25.832 12.724 -10.193 1.00 0.00 H new ATOM 462 N PHE B 36 21.908 10.900 -8.339 1.00 0.00 N ATOM 463 CA PHE B 36 21.625 9.817 -7.414 1.00 0.00 C ATOM 464 C PHE B 36 21.202 8.533 -8.120 1.00 0.00 C ATOM 465 O PHE B 36 21.382 7.438 -7.588 1.00 0.00 O ATOM 466 CB PHE B 36 20.626 10.267 -6.352 1.00 0.00 C ATOM 467 CG PHE B 36 21.231 11.189 -5.323 1.00 0.00 C ATOM 468 CD1 PHE B 36 21.877 10.656 -4.197 1.00 0.00 C ATOM 469 CD2 PHE B 36 21.146 12.580 -5.486 1.00 0.00 C ATOM 470 CE1 PHE B 36 22.440 11.510 -3.240 1.00 0.00 C ATOM 471 CE2 PHE B 36 21.707 13.435 -4.528 1.00 0.00 C ATOM 472 CZ PHE B 36 22.354 12.899 -3.404 1.00 0.00 C ATOM 0 H PHE B 36 21.200 11.634 -8.360 1.00 0.00 H new ATOM 0 HA PHE B 36 22.555 9.566 -6.904 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.791 10.772 -6.838 1.00 0.00 H new ATOM 0 HB3 PHE B 36 20.219 9.389 -5.850 1.00 0.00 H new ATOM 0 HD1 PHE B 36 21.940 9.586 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE B 36 20.648 12.992 -6.351 1.00 0.00 H new ATOM 0 HE1 PHE B 36 22.940 11.098 -2.376 1.00 0.00 H new ATOM 0 HE2 PHE B 36 21.642 14.506 -4.655 1.00 0.00 H new ATOM 0 HZ PHE B 36 22.786 13.557 -2.665 1.00 0.00 H new ATOM 482 N SER B 37 20.637 8.665 -9.324 1.00 0.00 N ATOM 483 CA SER B 37 20.262 7.513 -10.131 1.00 0.00 C ATOM 484 C SER B 37 21.508 6.832 -10.694 1.00 0.00 C ATOM 485 O SER B 37 21.515 5.621 -10.904 1.00 0.00 O ATOM 486 CB SER B 37 19.333 7.959 -11.263 1.00 0.00 C ATOM 487 OG SER B 37 19.007 6.852 -12.075 1.00 0.00 O ATOM 0 H SER B 37 20.431 9.565 -9.758 1.00 0.00 H new ATOM 0 HA SER B 37 19.735 6.793 -9.505 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.425 8.399 -10.850 1.00 0.00 H new ATOM 0 HB3 SER B 37 19.817 8.731 -11.861 1.00 0.00 H new ATOM 0 HG SER B 37 18.411 7.141 -12.798 1.00 0.00 H new ATOM 493 N LYS B 38 22.570 7.608 -10.938 1.00 0.00 N ATOM 494 CA LYS B 38 23.845 7.054 -11.367 1.00 0.00 C ATOM 495 C LYS B 38 24.528 6.358 -10.191 1.00 0.00 C ATOM 496 O LYS B 38 25.281 5.407 -10.382 1.00 0.00 O ATOM 497 CB LYS B 38 24.711 8.182 -11.930 1.00 0.00 C ATOM 498 CG LYS B 38 26.091 7.690 -12.389 1.00 0.00 C ATOM 499 CD LYS B 38 26.036 6.586 -13.458 1.00 0.00 C ATOM 500 CE LYS B 38 25.531 7.099 -14.814 1.00 0.00 C ATOM 501 NZ LYS B 38 24.067 7.297 -14.830 1.00 0.00 N ATOM 0 H LYS B 38 22.565 8.624 -10.843 1.00 0.00 H new ATOM 0 HA LYS B 38 23.691 6.310 -12.149 1.00 0.00 H new ATOM 0 HB2 LYS B 38 24.196 8.646 -12.771 1.00 0.00 H new ATOM 0 HB3 LYS B 38 24.838 8.953 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS B 38 26.655 8.536 -12.783 1.00 0.00 H new ATOM 0 HG3 LYS B 38 26.639 7.317 -11.524 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.030 6.158 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS B 38 25.385 5.783 -13.112 1.00 0.00 H new ATOM 0 HE2 LYS B 38 26.025 8.041 -15.050 1.00 0.00 H new ATOM 0 HE3 LYS B 38 25.808 6.390 -15.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 23.693 7.043 -15.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 23.627 6.694 -14.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 23.849 8.294 -14.629 1.00 0.00 H new ATOM 515 N TYR B 39 24.262 6.839 -8.971 1.00 0.00 N ATOM 516 CA TYR B 39 24.831 6.267 -7.757 1.00 0.00 C ATOM 517 C TYR B 39 24.138 5.014 -7.212 1.00 0.00 C ATOM 518 O TYR B 39 24.753 4.272 -6.447 1.00 0.00 O ATOM 519 CB TYR B 39 24.952 7.341 -6.677 1.00 0.00 C ATOM 520 CG TYR B 39 26.249 8.116 -6.709 1.00 0.00 C ATOM 521 CD1 TYR B 39 27.088 8.080 -5.588 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.618 8.856 -7.842 1.00 0.00 C ATOM 523 CE1 TYR B 39 28.294 8.789 -5.584 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.826 9.575 -7.846 1.00 0.00 C ATOM 525 CZ TYR B 39 28.668 9.543 -6.714 1.00 0.00 C ATOM 526 OH TYR B 39 29.842 10.240 -6.712 1.00 0.00 O ATOM 0 H TYR B 39 23.646 7.635 -8.803 1.00 0.00 H new ATOM 0 HA TYR B 39 25.817 5.909 -8.054 1.00 0.00 H new ATOM 0 HB2 TYR B 39 24.123 8.040 -6.783 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.849 6.869 -5.700 1.00 0.00 H new ATOM 0 HD1 TYR B 39 26.802 7.502 -4.722 1.00 0.00 H new ATOM 0 HD2 TYR B 39 25.975 8.873 -8.710 1.00 0.00 H new ATOM 0 HE1 TYR B 39 28.937 8.758 -4.717 1.00 0.00 H new ATOM 0 HE2 TYR B 39 28.109 10.151 -8.714 1.00 0.00 H new ATOM 0 HH TYR B 39 29.948 10.705 -7.568 1.00 0.00 H new ATOM 536 N GLY B 40 22.878 4.762 -7.585 1.00 0.00 N ATOM 537 CA GLY B 40 22.141 3.641 -7.011 1.00 0.00 C ATOM 538 C GLY B 40 21.067 3.071 -7.934 1.00 0.00 C ATOM 539 O GLY B 40 20.213 2.314 -7.476 1.00 0.00 O ATOM 0 H GLY B 40 22.359 5.311 -8.270 1.00 0.00 H new ATOM 0 HA2 GLY B 40 22.845 2.849 -6.755 1.00 0.00 H new ATOM 0 HA3 GLY B 40 21.673 3.964 -6.081 1.00 0.00 H new ATOM 543 N ALA B 41 21.100 3.423 -9.222 1.00 0.00 N ATOM 544 CA ALA B 41 20.151 2.907 -10.204 1.00 0.00 C ATOM 545 C ALA B 41 18.706 3.089 -9.729 1.00 0.00 C ATOM 546 O ALA B 41 17.864 2.215 -9.938 1.00 0.00 O ATOM 547 CB ALA B 41 20.481 1.449 -10.531 1.00 0.00 C ATOM 0 H ALA B 41 21.785 4.072 -9.610 1.00 0.00 H new ATOM 0 HA ALA B 41 20.244 3.482 -11.125 1.00 0.00 H new ATOM 0 HB1 ALA B 41 19.769 1.070 -11.264 1.00 0.00 H new ATOM 0 HB2 ALA B 41 21.490 1.387 -10.939 1.00 0.00 H new ATOM 0 HB3 ALA B 41 20.420 0.850 -9.623 1.00 0.00 H new ATOM 553 N ILE B 42 18.426 4.227 -9.082 1.00 0.00 N ATOM 554 CA ILE B 42 17.103 4.546 -8.557 1.00 0.00 C ATOM 555 C ILE B 42 16.009 4.237 -9.578 1.00 0.00 C ATOM 556 O ILE B 42 16.169 4.508 -10.769 1.00 0.00 O ATOM 557 CB ILE B 42 17.067 6.023 -8.150 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.941 6.224 -6.906 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.633 6.473 -7.861 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.156 7.710 -6.627 1.00 0.00 C ATOM 0 H ILE B 42 19.120 4.954 -8.910 1.00 0.00 H new ATOM 0 HA ILE B 42 16.911 3.924 -7.683 1.00 0.00 H new ATOM 0 HB ILE B 42 17.452 6.626 -8.972 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.468 5.752 -6.044 1.00 0.00 H new ATOM 0 HG13 ILE B 42 18.904 5.734 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.632 7.525 -7.574 1.00 0.00 H new ATOM 0 HG22 ILE B 42 15.023 6.340 -8.755 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.221 5.875 -7.048 1.00 0.00 H new ATOM 0 HD11 ILE B 42 18.779 7.827 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE B 42 18.650 8.173 -7.481 1.00 0.00 H new ATOM 0 HD13 ILE B 42 17.193 8.192 -6.460 1.00 0.00 H new ATOM 572 N ARG B 43 14.898 3.666 -9.104 1.00 0.00 N ATOM 573 CA ARG B 43 13.785 3.276 -9.956 1.00 0.00 C ATOM 574 C ARG B 43 12.612 4.244 -9.829 1.00 0.00 C ATOM 575 O ARG B 43 11.790 4.319 -10.739 1.00 0.00 O ATOM 576 CB ARG B 43 13.346 1.854 -9.601 1.00 0.00 C ATOM 577 CG ARG B 43 14.460 0.833 -9.844 1.00 0.00 C ATOM 578 CD ARG B 43 14.878 0.837 -11.314 1.00 0.00 C ATOM 579 NE ARG B 43 15.828 -0.246 -11.597 1.00 0.00 N ATOM 580 CZ ARG B 43 16.810 -0.156 -12.494 1.00 0.00 C ATOM 581 NH1 ARG B 43 16.996 0.965 -13.190 1.00 0.00 N ATOM 582 NH2 ARG B 43 17.618 -1.193 -12.699 1.00 0.00 N ATOM 0 H ARG B 43 14.751 3.463 -8.115 1.00 0.00 H new ATOM 0 HA ARG B 43 14.119 3.307 -10.993 1.00 0.00 H new ATOM 0 HB2 ARG B 43 13.044 1.819 -8.554 1.00 0.00 H new ATOM 0 HB3 ARG B 43 12.472 1.585 -10.195 1.00 0.00 H new ATOM 0 HG2 ARG B 43 15.319 1.066 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.118 -0.162 -9.560 1.00 0.00 H new ATOM 0 HD2 ARG B 43 13.997 0.726 -11.946 1.00 0.00 H new ATOM 0 HD3 ARG B 43 15.331 1.797 -11.564 1.00 0.00 H new ATOM 0 HE ARG B 43 15.731 -1.118 -11.077 1.00 0.00 H new ATOM 0 HH11 ARG B 43 16.383 1.767 -13.039 1.00 0.00 H new ATOM 0 HH12 ARG B 43 17.751 1.022 -13.874 1.00 0.00 H new ATOM 0 HH21 ARG B 43 17.486 -2.055 -12.170 1.00 0.00 H new ATOM 0 HH22 ARG B 43 18.370 -1.126 -13.385 1.00 0.00 H new ATOM 596 N ASP B 44 12.517 4.985 -8.719 1.00 0.00 N ATOM 597 CA ASP B 44 11.429 5.944 -8.558 1.00 0.00 C ATOM 598 C ASP B 44 11.818 7.108 -7.646 1.00 0.00 C ATOM 599 O ASP B 44 12.691 6.968 -6.790 1.00 0.00 O ATOM 600 CB ASP B 44 10.187 5.225 -8.021 1.00 0.00 C ATOM 601 CG ASP B 44 9.006 6.167 -7.831 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.818 7.046 -8.706 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.299 6.002 -6.812 1.00 0.00 O ATOM 0 H ASP B 44 13.168 4.938 -7.936 1.00 0.00 H new ATOM 0 HA ASP B 44 11.207 6.371 -9.536 1.00 0.00 H new ATOM 0 HB2 ASP B 44 9.906 4.429 -8.710 1.00 0.00 H new ATOM 0 HB3 ASP B 44 10.428 4.752 -7.069 1.00 0.00 H new ATOM 608 N ILE B 45 11.164 8.256 -7.839 1.00 0.00 N ATOM 609 CA ILE B 45 11.408 9.470 -7.069 1.00 0.00 C ATOM 610 C ILE B 45 10.072 10.109 -6.696 1.00 0.00 C ATOM 611 O ILE B 45 9.100 10.006 -7.441 1.00 0.00 O ATOM 612 CB ILE B 45 12.281 10.449 -7.875 1.00 0.00 C ATOM 613 CG1 ILE B 45 13.736 9.972 -7.933 1.00 0.00 C ATOM 614 CG2 ILE B 45 12.263 11.833 -7.223 1.00 0.00 C ATOM 615 CD1 ILE B 45 14.008 9.205 -9.227 1.00 0.00 C ATOM 0 H ILE B 45 10.439 8.366 -8.548 1.00 0.00 H new ATOM 0 HA ILE B 45 11.946 9.219 -6.155 1.00 0.00 H new ATOM 0 HB ILE B 45 11.871 10.496 -8.884 1.00 0.00 H new ATOM 0 HG12 ILE B 45 14.407 10.829 -7.866 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.948 9.333 -7.076 1.00 0.00 H new ATOM 0 HG21 ILE B 45 12.884 12.516 -7.802 1.00 0.00 H new ATOM 0 HG22 ILE B 45 11.240 12.208 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.652 11.762 -6.207 1.00 0.00 H new ATOM 0 HD11 ILE B 45 15.047 8.877 -9.244 1.00 0.00 H new ATOM 0 HD12 ILE B 45 13.352 8.336 -9.279 1.00 0.00 H new ATOM 0 HD13 ILE B 45 13.818 9.854 -10.082 1.00 0.00 H new ATOM 627 N ASP B 46 10.027 10.767 -5.536 1.00 0.00 N ATOM 628 CA ASP B 46 8.830 11.436 -5.060 1.00 0.00 C ATOM 629 C ASP B 46 9.195 12.763 -4.389 1.00 0.00 C ATOM 630 O ASP B 46 8.869 12.989 -3.225 1.00 0.00 O ATOM 631 CB ASP B 46 8.073 10.503 -4.113 1.00 0.00 C ATOM 632 CG ASP B 46 6.779 11.130 -3.604 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.295 12.084 -4.254 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.281 10.641 -2.565 1.00 0.00 O ATOM 0 H ASP B 46 10.824 10.847 -4.905 1.00 0.00 H new ATOM 0 HA ASP B 46 8.176 11.671 -5.900 1.00 0.00 H new ATOM 0 HB2 ASP B 46 7.845 9.570 -4.629 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.711 10.251 -3.266 1.00 0.00 H new ATOM 639 N LEU B 47 9.876 13.640 -5.134 1.00 0.00 N ATOM 640 CA LEU B 47 10.206 14.972 -4.645 1.00 0.00 C ATOM 641 C LEU B 47 8.926 15.745 -4.315 1.00 0.00 C ATOM 642 O LEU B 47 8.014 15.818 -5.135 1.00 0.00 O ATOM 643 CB LEU B 47 11.048 15.698 -5.702 1.00 0.00 C ATOM 644 CG LEU B 47 11.309 17.163 -5.320 1.00 0.00 C ATOM 645 CD1 LEU B 47 12.147 17.251 -4.043 1.00 0.00 C ATOM 646 CD2 LEU B 47 12.071 17.848 -6.453 1.00 0.00 C ATOM 0 H LEU B 47 10.208 13.446 -6.079 1.00 0.00 H new ATOM 0 HA LEU B 47 10.789 14.900 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.999 15.180 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.536 15.659 -6.663 1.00 0.00 H new ATOM 0 HG LEU B 47 10.350 17.653 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU B 47 12.319 18.298 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.616 16.764 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU B 47 13.104 16.754 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU B 47 12.259 18.888 -6.188 1.00 0.00 H new ATOM 0 HD22 LEU B 47 13.020 17.337 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU B 47 11.478 17.808 -7.367 1.00 0.00 H new ATOM 658 N LYS B 48 8.870 16.318 -3.108 1.00 0.00 N ATOM 659 CA LYS B 48 7.740 17.100 -2.641 1.00 0.00 C ATOM 660 C LYS B 48 8.173 18.526 -2.305 1.00 0.00 C ATOM 661 O LYS B 48 9.275 18.744 -1.796 1.00 0.00 O ATOM 662 CB LYS B 48 7.121 16.411 -1.424 1.00 0.00 C ATOM 663 CG LYS B 48 6.101 15.354 -1.855 1.00 0.00 C ATOM 664 CD LYS B 48 5.561 14.629 -0.619 1.00 0.00 C ATOM 665 CE LYS B 48 4.338 13.779 -0.972 1.00 0.00 C ATOM 666 NZ LYS B 48 4.644 12.791 -2.018 1.00 0.00 N ATOM 0 H LYS B 48 9.624 16.245 -2.425 1.00 0.00 H new ATOM 0 HA LYS B 48 6.992 17.164 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.905 15.944 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.636 17.152 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.283 15.824 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.567 14.640 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.340 13.994 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS B 48 5.293 15.358 0.146 1.00 0.00 H new ATOM 0 HE2 LYS B 48 3.982 13.265 -0.079 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.530 14.428 -1.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 3.787 12.246 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 4.976 13.282 -2.873 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 5.386 12.146 -1.680 1.00 0.00 H new ATOM 680 N ASN B 49 7.295 19.489 -2.593 1.00 0.00 N ATOM 681 CA ASN B 49 7.541 20.898 -2.338 1.00 0.00 C ATOM 682 C ASN B 49 7.255 21.235 -0.871 1.00 0.00 C ATOM 683 O ASN B 49 7.425 20.388 0.006 1.00 0.00 O ATOM 684 CB ASN B 49 6.701 21.741 -3.310 1.00 0.00 C ATOM 685 CG ASN B 49 5.209 21.455 -3.199 1.00 0.00 C ATOM 686 OD1 ASN B 49 4.757 20.823 -2.251 1.00 0.00 O ATOM 687 ND2 ASN B 49 4.436 21.923 -4.174 1.00 0.00 N ATOM 0 H ASN B 49 6.385 19.304 -3.014 1.00 0.00 H new ATOM 0 HA ASN B 49 8.591 21.132 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN B 49 6.879 22.798 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN B 49 7.029 21.545 -4.331 1.00 0.00 H new ATOM 0 HD21 ASN B 49 3.429 21.760 -4.149 1.00 0.00 H new ATOM 0 HD22 ASN B 49 4.850 22.445 -4.947 1.00 0.00 H new ATOM 770 N PRO B 55 10.816 21.186 2.190 1.00 0.00 N ATOM 771 CA PRO B 55 11.024 20.381 1.000 1.00 0.00 C ATOM 772 C PRO B 55 11.761 19.088 1.331 1.00 0.00 C ATOM 773 O PRO B 55 12.763 19.101 2.051 1.00 0.00 O ATOM 774 CB PRO B 55 11.828 21.263 0.042 1.00 0.00 C ATOM 775 CG PRO B 55 11.489 22.688 0.484 1.00 0.00 C ATOM 776 CD PRO B 55 11.245 22.553 1.985 1.00 0.00 C ATOM 0 HA PRO B 55 10.080 20.072 0.552 1.00 0.00 H new ATOM 0 HB2 PRO B 55 12.897 21.065 0.118 1.00 0.00 H new ATOM 0 HB3 PRO B 55 11.544 21.088 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO B 55 12.306 23.378 0.272 1.00 0.00 H new ATOM 0 HG3 PRO B 55 10.608 23.068 -0.032 1.00 0.00 H new ATOM 0 HD2 PRO B 55 12.152 22.768 2.550 1.00 0.00 H new ATOM 0 HD3 PRO B 55 10.485 23.257 2.323 1.00 0.00 H new ATOM 784 N PHE B 56 11.261 17.970 0.802 1.00 0.00 N ATOM 785 CA PHE B 56 11.781 16.653 1.139 1.00 0.00 C ATOM 786 C PHE B 56 11.322 15.713 0.023 1.00 0.00 C ATOM 787 O PHE B 56 10.559 16.112 -0.853 1.00 0.00 O ATOM 788 CB PHE B 56 11.182 16.230 2.488 1.00 0.00 C ATOM 789 CG PHE B 56 9.751 15.727 2.434 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.701 16.598 2.107 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.473 14.385 2.732 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.376 16.129 2.093 1.00 0.00 C ATOM 793 CE2 PHE B 56 8.149 13.923 2.750 1.00 0.00 C ATOM 794 CZ PHE B 56 7.102 14.792 2.417 1.00 0.00 C ATOM 0 H PHE B 56 10.491 17.956 0.134 1.00 0.00 H new ATOM 0 HA PHE B 56 12.868 16.638 1.225 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.809 15.447 2.916 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.225 17.080 3.169 1.00 0.00 H new ATOM 0 HD1 PHE B 56 8.911 17.630 1.866 1.00 0.00 H new ATOM 0 HD2 PHE B 56 10.283 13.704 2.949 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.569 16.798 1.833 1.00 0.00 H new ATOM 0 HE2 PHE B 56 7.937 12.899 3.020 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.084 14.433 2.410 1.00 0.00 H new ATOM 804 N ALA B 57 11.789 14.463 0.051 1.00 0.00 N ATOM 805 CA ALA B 57 11.491 13.520 -1.009 1.00 0.00 C ATOM 806 C ALA B 57 11.604 12.076 -0.527 1.00 0.00 C ATOM 807 O ALA B 57 12.158 11.809 0.539 1.00 0.00 O ATOM 808 CB ALA B 57 12.476 13.755 -2.156 1.00 0.00 C ATOM 0 H ALA B 57 12.373 14.088 0.798 1.00 0.00 H new ATOM 0 HA ALA B 57 10.464 13.678 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.267 13.054 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.369 14.775 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.494 13.603 -1.798 1.00 0.00 H new ATOM 814 N PHE B 58 11.077 11.151 -1.331 1.00 0.00 N ATOM 815 CA PHE B 58 11.302 9.727 -1.155 1.00 0.00 C ATOM 816 C PHE B 58 11.944 9.170 -2.417 1.00 0.00 C ATOM 817 O PHE B 58 11.776 9.734 -3.498 1.00 0.00 O ATOM 818 CB PHE B 58 9.997 9.005 -0.815 1.00 0.00 C ATOM 819 CG PHE B 58 9.361 9.486 0.463 1.00 0.00 C ATOM 820 CD1 PHE B 58 9.879 9.075 1.698 1.00 0.00 C ATOM 821 CD2 PHE B 58 8.254 10.340 0.416 1.00 0.00 C ATOM 822 CE1 PHE B 58 9.296 9.529 2.887 1.00 0.00 C ATOM 823 CE2 PHE B 58 7.683 10.812 1.603 1.00 0.00 C ATOM 824 CZ PHE B 58 8.203 10.405 2.840 1.00 0.00 C ATOM 0 H PHE B 58 10.479 11.377 -2.126 1.00 0.00 H new ATOM 0 HA PHE B 58 11.978 9.563 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.292 9.139 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.193 7.936 -0.734 1.00 0.00 H new ATOM 0 HD1 PHE B 58 10.728 8.408 1.733 1.00 0.00 H new ATOM 0 HD2 PHE B 58 7.840 10.635 -0.537 1.00 0.00 H new ATOM 0 HE1 PHE B 58 9.688 9.205 3.840 1.00 0.00 H new ATOM 0 HE2 PHE B 58 6.842 11.489 1.566 1.00 0.00 H new ATOM 0 HZ PHE B 58 7.761 10.767 3.757 1.00 0.00 H new ATOM 834 N VAL B 59 12.676 8.067 -2.281 1.00 0.00 N ATOM 835 CA VAL B 59 13.426 7.502 -3.391 1.00 0.00 C ATOM 836 C VAL B 59 13.396 5.986 -3.286 1.00 0.00 C ATOM 837 O VAL B 59 13.638 5.440 -2.213 1.00 0.00 O ATOM 838 CB VAL B 59 14.870 8.001 -3.320 1.00 0.00 C ATOM 839 CG1 VAL B 59 15.717 7.305 -4.375 1.00 0.00 C ATOM 840 CG2 VAL B 59 14.943 9.509 -3.553 1.00 0.00 C ATOM 0 H VAL B 59 12.763 7.548 -1.408 1.00 0.00 H new ATOM 0 HA VAL B 59 12.985 7.807 -4.340 1.00 0.00 H new ATOM 0 HB VAL B 59 15.249 7.774 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL B 59 16.743 7.668 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL B 59 15.702 6.229 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.314 7.519 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL B 59 15.981 9.836 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.541 9.745 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.359 10.024 -2.790 1.00 0.00 H new ATOM 850 N GLU B 60 13.108 5.303 -4.396 1.00 0.00 N ATOM 851 CA GLU B 60 13.084 3.850 -4.425 1.00 0.00 C ATOM 852 C GLU B 60 14.307 3.329 -5.173 1.00 0.00 C ATOM 853 O GLU B 60 14.471 3.609 -6.362 1.00 0.00 O ATOM 854 CB GLU B 60 11.798 3.351 -5.083 1.00 0.00 C ATOM 855 CG GLU B 60 11.696 1.833 -4.938 1.00 0.00 C ATOM 856 CD GLU B 60 10.426 1.278 -5.587 1.00 0.00 C ATOM 857 OE1 GLU B 60 10.273 0.039 -5.568 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.624 2.095 -6.093 1.00 0.00 O ATOM 0 H GLU B 60 12.887 5.742 -5.290 1.00 0.00 H new ATOM 0 HA GLU B 60 13.110 3.474 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU B 60 10.934 3.828 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.788 3.626 -6.138 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.569 1.366 -5.393 1.00 0.00 H new ATOM 0 HG3 GLU B 60 11.708 1.568 -3.881 1.00 0.00 H new ATOM 865 N PHE B 61 15.149 2.574 -4.467 1.00 0.00 N ATOM 866 CA PHE B 61 16.360 1.995 -5.033 1.00 0.00 C ATOM 867 C PHE B 61 16.169 0.657 -5.739 1.00 0.00 C ATOM 868 O PHE B 61 15.234 -0.086 -5.435 1.00 0.00 O ATOM 869 CB PHE B 61 17.467 1.922 -3.982 1.00 0.00 C ATOM 870 CG PHE B 61 18.161 3.243 -3.740 1.00 0.00 C ATOM 871 CD1 PHE B 61 19.487 3.432 -4.158 1.00 0.00 C ATOM 872 CD2 PHE B 61 17.478 4.286 -3.101 1.00 0.00 C ATOM 873 CE1 PHE B 61 20.125 4.661 -3.944 1.00 0.00 C ATOM 874 CE2 PHE B 61 18.114 5.516 -2.890 1.00 0.00 C ATOM 875 CZ PHE B 61 19.439 5.708 -3.309 1.00 0.00 C ATOM 0 H PHE B 61 15.007 2.348 -3.483 1.00 0.00 H new ATOM 0 HA PHE B 61 16.661 2.678 -5.827 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.042 1.567 -3.043 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.206 1.185 -4.296 1.00 0.00 H new ATOM 0 HD1 PHE B 61 20.017 2.628 -4.646 1.00 0.00 H new ATOM 0 HD2 PHE B 61 16.460 4.142 -2.771 1.00 0.00 H new ATOM 0 HE1 PHE B 61 21.145 4.803 -4.268 1.00 0.00 H new ATOM 0 HE2 PHE B 61 17.582 6.320 -2.403 1.00 0.00 H new ATOM 0 HZ PHE B 61 19.929 6.656 -3.144 1.00 0.00 H new ATOM 885 N GLU B 62 17.060 0.349 -6.684 1.00 0.00 N ATOM 886 CA GLU B 62 17.103 -0.959 -7.327 1.00 0.00 C ATOM 887 C GLU B 62 17.723 -1.989 -6.377 1.00 0.00 C ATOM 888 O GLU B 62 17.388 -3.172 -6.428 1.00 0.00 O ATOM 889 CB GLU B 62 17.928 -0.845 -8.614 1.00 0.00 C ATOM 890 CG GLU B 62 18.247 -2.211 -9.244 1.00 0.00 C ATOM 891 CD GLU B 62 16.998 -2.939 -9.744 1.00 0.00 C ATOM 892 OE1 GLU B 62 17.156 -4.103 -10.176 1.00 0.00 O ATOM 893 OE2 GLU B 62 15.904 -2.334 -9.697 1.00 0.00 O ATOM 0 H GLU B 62 17.769 1.000 -7.022 1.00 0.00 H new ATOM 0 HA GLU B 62 16.094 -1.290 -7.572 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.384 -0.236 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.861 -0.324 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.937 -2.070 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.756 -2.835 -8.509 1.00 0.00 H new ATOM 900 N ASP B 63 18.631 -1.529 -5.510 1.00 0.00 N ATOM 901 CA ASP B 63 19.325 -2.371 -4.554 1.00 0.00 C ATOM 902 C ASP B 63 19.831 -1.500 -3.397 1.00 0.00 C ATOM 903 O ASP B 63 20.648 -0.606 -3.618 1.00 0.00 O ATOM 904 CB ASP B 63 20.486 -3.074 -5.274 1.00 0.00 C ATOM 905 CG ASP B 63 21.321 -3.957 -4.349 1.00 0.00 C ATOM 906 OD1 ASP B 63 22.328 -4.507 -4.850 1.00 0.00 O ATOM 907 OD2 ASP B 63 20.950 -4.077 -3.158 1.00 0.00 O ATOM 0 H ASP B 63 18.902 -0.547 -5.459 1.00 0.00 H new ATOM 0 HA ASP B 63 18.658 -3.129 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.087 -3.684 -6.085 1.00 0.00 H new ATOM 0 HB3 ASP B 63 21.131 -2.322 -5.729 1.00 0.00 H new ATOM 912 N PRO B 64 19.359 -1.742 -2.167 1.00 0.00 N ATOM 913 CA PRO B 64 19.704 -0.932 -1.007 1.00 0.00 C ATOM 914 C PRO B 64 21.184 -1.054 -0.639 1.00 0.00 C ATOM 915 O PRO B 64 21.671 -0.291 0.192 1.00 0.00 O ATOM 916 CB PRO B 64 18.808 -1.435 0.127 1.00 0.00 C ATOM 917 CG PRO B 64 18.445 -2.863 -0.288 1.00 0.00 C ATOM 918 CD PRO B 64 18.441 -2.809 -1.814 1.00 0.00 C ATOM 0 HA PRO B 64 19.545 0.127 -1.210 1.00 0.00 H new ATOM 0 HB2 PRO B 64 19.330 -1.419 1.084 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.919 -0.814 0.238 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.172 -3.585 0.085 1.00 0.00 H new ATOM 0 HG3 PRO B 64 17.472 -3.159 0.104 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.761 -3.759 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.440 -2.608 -2.197 1.00 0.00 H new ATOM 926 N ARG B 65 21.904 -2.004 -1.249 1.00 0.00 N ATOM 927 CA ARG B 65 23.331 -2.175 -0.999 1.00 0.00 C ATOM 928 C ARG B 65 24.139 -1.043 -1.635 1.00 0.00 C ATOM 929 O ARG B 65 25.305 -0.848 -1.290 1.00 0.00 O ATOM 930 CB ARG B 65 23.781 -3.532 -1.547 1.00 0.00 C ATOM 931 CG ARG B 65 23.042 -4.660 -0.826 1.00 0.00 C ATOM 932 CD ARG B 65 23.328 -5.987 -1.528 1.00 0.00 C ATOM 933 NE ARG B 65 22.591 -7.089 -0.895 1.00 0.00 N ATOM 934 CZ ARG B 65 21.289 -7.329 -1.088 1.00 0.00 C ATOM 935 NH1 ARG B 65 20.560 -6.539 -1.873 1.00 0.00 N ATOM 936 NH2 ARG B 65 20.710 -8.365 -0.489 1.00 0.00 N ATOM 0 H ARG B 65 21.515 -2.666 -1.921 1.00 0.00 H new ATOM 0 HA ARG B 65 23.508 -2.142 0.076 1.00 0.00 H new ATOM 0 HB2 ARG B 65 23.584 -3.584 -2.618 1.00 0.00 H new ATOM 0 HB3 ARG B 65 24.857 -3.648 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG B 65 23.361 -4.711 0.215 1.00 0.00 H new ATOM 0 HG3 ARG B 65 21.970 -4.462 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG B 65 23.048 -5.914 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG B 65 24.397 -6.195 -1.497 1.00 0.00 H new ATOM 0 HE ARG B 65 23.104 -7.710 -0.269 1.00 0.00 H new ATOM 0 HH11 ARG B 65 20.993 -5.740 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG B 65 19.568 -6.733 -2.012 1.00 0.00 H new ATOM 0 HH21 ARG B 65 21.258 -8.976 0.117 1.00 0.00 H new ATOM 0 HH22 ARG B 65 19.717 -8.549 -0.635 1.00 0.00 H new ATOM 950 N ASP B 66 23.530 -0.296 -2.560 1.00 0.00 N ATOM 951 CA ASP B 66 24.181 0.839 -3.199 1.00 0.00 C ATOM 952 C ASP B 66 24.201 2.078 -2.301 1.00 0.00 C ATOM 953 O ASP B 66 24.758 3.109 -2.676 1.00 0.00 O ATOM 954 CB ASP B 66 23.508 1.141 -4.542 1.00 0.00 C ATOM 955 CG ASP B 66 23.741 0.040 -5.577 1.00 0.00 C ATOM 956 OD1 ASP B 66 23.154 0.160 -6.677 1.00 0.00 O ATOM 957 OD2 ASP B 66 24.500 -0.907 -5.264 1.00 0.00 O ATOM 0 H ASP B 66 22.577 -0.464 -2.882 1.00 0.00 H new ATOM 0 HA ASP B 66 25.222 0.568 -3.377 1.00 0.00 H new ATOM 0 HB2 ASP B 66 22.437 1.268 -4.387 1.00 0.00 H new ATOM 0 HB3 ASP B 66 23.888 2.086 -4.930 1.00 0.00 H new ATOM 962 N ALA B 67 23.592 1.981 -1.117 1.00 0.00 N ATOM 963 CA ALA B 67 23.539 3.085 -0.176 1.00 0.00 C ATOM 964 C ALA B 67 24.939 3.453 0.324 1.00 0.00 C ATOM 965 O ALA B 67 25.128 4.520 0.907 1.00 0.00 O ATOM 966 CB ALA B 67 22.637 2.691 0.992 1.00 0.00 C ATOM 0 H ALA B 67 23.125 1.135 -0.791 1.00 0.00 H new ATOM 0 HA ALA B 67 23.132 3.964 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA B 67 22.588 3.512 1.707 1.00 0.00 H new ATOM 0 HB2 ALA B 67 21.636 2.473 0.621 1.00 0.00 H new ATOM 0 HB3 ALA B 67 23.043 1.806 1.483 1.00 0.00 H new ATOM 972 N GLU B 68 25.925 2.580 0.101 1.00 0.00 N ATOM 973 CA GLU B 68 27.287 2.837 0.553 1.00 0.00 C ATOM 974 C GLU B 68 27.901 4.030 -0.181 1.00 0.00 C ATOM 975 O GLU B 68 28.910 4.571 0.269 1.00 0.00 O ATOM 976 CB GLU B 68 28.137 1.582 0.340 1.00 0.00 C ATOM 977 CG GLU B 68 27.598 0.425 1.187 1.00 0.00 C ATOM 978 CD GLU B 68 28.485 -0.819 1.083 1.00 0.00 C ATOM 979 OE1 GLU B 68 29.437 -0.795 0.271 1.00 0.00 O ATOM 980 OE2 GLU B 68 28.198 -1.787 1.822 1.00 0.00 O ATOM 0 H GLU B 68 25.802 1.693 -0.388 1.00 0.00 H new ATOM 0 HA GLU B 68 27.261 3.084 1.614 1.00 0.00 H new ATOM 0 HB2 GLU B 68 28.130 1.304 -0.714 1.00 0.00 H new ATOM 0 HB3 GLU B 68 29.173 1.786 0.609 1.00 0.00 H new ATOM 0 HG2 GLU B 68 27.532 0.738 2.229 1.00 0.00 H new ATOM 0 HG3 GLU B 68 26.587 0.178 0.863 1.00 0.00 H new ATOM 987 N ASP B 69 27.292 4.439 -1.299 1.00 0.00 N ATOM 988 CA ASP B 69 27.732 5.596 -2.063 1.00 0.00 C ATOM 989 C ASP B 69 26.621 6.629 -2.236 1.00 0.00 C ATOM 990 O ASP B 69 26.877 7.833 -2.188 1.00 0.00 O ATOM 991 CB ASP B 69 28.258 5.148 -3.433 1.00 0.00 C ATOM 992 CG ASP B 69 29.572 4.370 -3.355 1.00 0.00 C ATOM 993 OD1 ASP B 69 29.908 3.723 -4.369 1.00 0.00 O ATOM 994 OD2 ASP B 69 30.232 4.426 -2.293 1.00 0.00 O ATOM 0 H ASP B 69 26.477 3.970 -1.695 1.00 0.00 H new ATOM 0 HA ASP B 69 28.534 6.075 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP B 69 27.505 4.527 -3.917 1.00 0.00 H new ATOM 0 HB3 ASP B 69 28.401 6.026 -4.064 1.00 0.00 H new ATOM 999 N ALA B 70 25.384 6.162 -2.442 1.00 0.00 N ATOM 1000 CA ALA B 70 24.246 7.024 -2.718 1.00 0.00 C ATOM 1001 C ALA B 70 23.651 7.619 -1.444 1.00 0.00 C ATOM 1002 O ALA B 70 22.799 8.502 -1.522 1.00 0.00 O ATOM 1003 CB ALA B 70 23.189 6.207 -3.457 1.00 0.00 C ATOM 0 H ALA B 70 25.151 5.169 -2.420 1.00 0.00 H new ATOM 0 HA ALA B 70 24.585 7.860 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA B 70 22.327 6.838 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA B 70 23.607 5.832 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA B 70 22.878 5.367 -2.835 1.00 0.00 H new ATOM 1009 N VAL B 71 24.089 7.145 -0.272 1.00 0.00 N ATOM 1010 CA VAL B 71 23.542 7.612 0.993 1.00 0.00 C ATOM 1011 C VAL B 71 24.665 7.986 1.956 1.00 0.00 C ATOM 1012 O VAL B 71 24.643 9.072 2.531 1.00 0.00 O ATOM 1013 CB VAL B 71 22.639 6.529 1.598 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.128 6.971 2.966 1.00 0.00 C ATOM 1015 CG2 VAL B 71 21.451 6.258 0.673 1.00 0.00 C ATOM 0 H VAL B 71 24.820 6.439 -0.180 1.00 0.00 H new ATOM 0 HA VAL B 71 22.944 8.506 0.815 1.00 0.00 H new ATOM 0 HB VAL B 71 23.223 5.616 1.712 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.489 6.194 3.384 1.00 0.00 H new ATOM 0 HG12 VAL B 71 22.973 7.143 3.632 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.556 7.893 2.860 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.817 5.488 1.112 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.874 7.174 0.544 1.00 0.00 H new ATOM 0 HG23 VAL B 71 21.815 5.919 -0.297 1.00 0.00 H new ATOM 1025 N SER B 72 25.649 7.100 2.135 1.00 0.00 N ATOM 1026 CA SER B 72 26.762 7.356 3.042 1.00 0.00 C ATOM 1027 C SER B 72 27.628 8.512 2.540 1.00 0.00 C ATOM 1028 O SER B 72 28.491 9.003 3.268 1.00 0.00 O ATOM 1029 CB SER B 72 27.601 6.086 3.177 1.00 0.00 C ATOM 1030 OG SER B 72 26.819 5.051 3.738 1.00 0.00 O ATOM 0 H SER B 72 25.694 6.198 1.661 1.00 0.00 H new ATOM 0 HA SER B 72 26.364 7.639 4.016 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.976 5.782 2.200 1.00 0.00 H new ATOM 0 HB3 SER B 72 28.470 6.279 3.806 1.00 0.00 H new ATOM 0 HG SER B 72 27.362 4.239 3.820 1.00 0.00 H new ATOM 1036 N GLY B 73 27.402 8.949 1.297 1.00 0.00 N ATOM 1037 CA GLY B 73 28.173 10.022 0.693 1.00 0.00 C ATOM 1038 C GLY B 73 27.536 11.397 0.901 1.00 0.00 C ATOM 1039 O GLY B 73 28.098 12.397 0.457 1.00 0.00 O ATOM 0 H GLY B 73 26.679 8.565 0.688 1.00 0.00 H new ATOM 0 HA2 GLY B 73 29.178 10.024 1.116 1.00 0.00 H new ATOM 0 HA3 GLY B 73 28.277 9.832 -0.375 1.00 0.00 H new ATOM 1043 N ARG B 74 26.374 11.469 1.566 1.00 0.00 N ATOM 1044 CA ARG B 74 25.677 12.745 1.733 1.00 0.00 C ATOM 1045 C ARG B 74 24.826 12.792 3.007 1.00 0.00 C ATOM 1046 O ARG B 74 24.441 13.875 3.441 1.00 0.00 O ATOM 1047 CB ARG B 74 24.816 12.991 0.486 1.00 0.00 C ATOM 1048 CG ARG B 74 24.107 14.353 0.507 1.00 0.00 C ATOM 1049 CD ARG B 74 25.101 15.510 0.667 1.00 0.00 C ATOM 1050 NE ARG B 74 26.097 15.505 -0.411 1.00 0.00 N ATOM 1051 CZ ARG B 74 27.394 15.786 -0.241 1.00 0.00 C ATOM 1052 NH1 ARG B 74 27.875 16.118 0.955 1.00 0.00 N ATOM 1053 NH2 ARG B 74 28.219 15.732 -1.284 1.00 0.00 N ATOM 0 H ARG B 74 25.905 10.669 1.990 1.00 0.00 H new ATOM 0 HA ARG B 74 26.419 13.535 1.844 1.00 0.00 H new ATOM 0 HB2 ARG B 74 25.445 12.929 -0.402 1.00 0.00 H new ATOM 0 HB3 ARG B 74 24.070 12.200 0.404 1.00 0.00 H new ATOM 0 HG2 ARG B 74 23.543 14.483 -0.417 1.00 0.00 H new ATOM 0 HG3 ARG B 74 23.388 14.376 1.326 1.00 0.00 H new ATOM 0 HD2 ARG B 74 24.563 16.458 0.665 1.00 0.00 H new ATOM 0 HD3 ARG B 74 25.604 15.431 1.631 1.00 0.00 H new ATOM 0 HE ARG B 74 25.779 15.272 -1.352 1.00 0.00 H new ATOM 0 HH11 ARG B 74 27.252 16.161 1.761 1.00 0.00 H new ATOM 0 HH12 ARG B 74 28.867 16.329 1.065 1.00 0.00 H new ATOM 0 HH21 ARG B 74 27.861 15.478 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG B 74 29.209 15.945 -1.163 1.00 0.00 H new ATOM 1067 N ASP B 75 24.528 11.641 3.610 1.00 0.00 N ATOM 1068 CA ASP B 75 23.689 11.607 4.803 1.00 0.00 C ATOM 1069 C ASP B 75 24.382 12.311 5.969 1.00 0.00 C ATOM 1070 O ASP B 75 25.584 12.141 6.172 1.00 0.00 O ATOM 1071 CB ASP B 75 23.384 10.153 5.175 1.00 0.00 C ATOM 1072 CG ASP B 75 22.458 10.055 6.386 1.00 0.00 C ATOM 1073 OD1 ASP B 75 21.658 10.998 6.578 1.00 0.00 O ATOM 1074 OD2 ASP B 75 22.565 9.035 7.107 1.00 0.00 O ATOM 0 H ASP B 75 24.853 10.728 3.293 1.00 0.00 H new ATOM 0 HA ASP B 75 22.756 12.130 4.591 1.00 0.00 H new ATOM 0 HB2 ASP B 75 22.923 9.650 4.325 1.00 0.00 H new ATOM 0 HB3 ASP B 75 24.316 9.630 5.388 1.00 0.00 H new ATOM 1079 N GLY B 76 23.627 13.100 6.741 1.00 0.00 N ATOM 1080 CA GLY B 76 24.141 13.721 7.949 1.00 0.00 C ATOM 1081 C GLY B 76 25.271 14.704 7.645 1.00 0.00 C ATOM 1082 O GLY B 76 26.271 14.729 8.366 1.00 0.00 O ATOM 0 H GLY B 76 22.651 13.320 6.541 1.00 0.00 H new ATOM 0 HA2 GLY B 76 23.333 14.243 8.461 1.00 0.00 H new ATOM 0 HA3 GLY B 76 24.503 12.950 8.628 1.00 0.00 H new ATOM 1086 N TYR B 77 25.130 15.503 6.583 1.00 0.00 N ATOM 1087 CA TYR B 77 26.192 16.386 6.135 1.00 0.00 C ATOM 1088 C TYR B 77 26.032 17.826 6.607 1.00 0.00 C ATOM 1089 O TYR B 77 24.946 18.395 6.512 1.00 0.00 O ATOM 1090 CB TYR B 77 26.404 16.266 4.625 1.00 0.00 C ATOM 1091 CG TYR B 77 27.233 17.380 4.023 1.00 0.00 C ATOM 1092 CD1 TYR B 77 28.613 17.436 4.271 1.00 0.00 C ATOM 1093 CD2 TYR B 77 26.622 18.357 3.221 1.00 0.00 C ATOM 1094 CE1 TYR B 77 29.386 18.465 3.717 1.00 0.00 C ATOM 1095 CE2 TYR B 77 27.387 19.392 2.669 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.773 19.453 2.917 1.00 0.00 C ATOM 1097 OH TYR B 77 29.520 20.462 2.387 1.00 0.00 O ATOM 0 H TYR B 77 24.281 15.551 6.019 1.00 0.00 H new ATOM 0 HA TYR B 77 27.108 16.047 6.619 1.00 0.00 H new ATOM 0 HB2 TYR B 77 26.888 15.313 4.412 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.431 16.246 4.134 1.00 0.00 H new ATOM 0 HD1 TYR B 77 29.080 16.684 4.890 1.00 0.00 H new ATOM 0 HD2 TYR B 77 25.560 18.310 3.029 1.00 0.00 H new ATOM 0 HE1 TYR B 77 30.449 18.502 3.902 1.00 0.00 H new ATOM 0 HE2 TYR B 77 26.915 20.143 2.053 1.00 0.00 H new ATOM 0 HH TYR B 77 28.943 21.055 1.862 1.00 0.00 H new ATOM 1107 N ASP B 78 27.121 18.403 7.116 1.00 0.00 N ATOM 1108 CA ASP B 78 27.143 19.750 7.656 1.00 0.00 C ATOM 1109 C ASP B 78 26.812 20.804 6.601 1.00 0.00 C ATOM 1110 O ASP B 78 27.628 21.100 5.730 1.00 0.00 O ATOM 1111 CB ASP B 78 28.496 20.008 8.331 1.00 0.00 C ATOM 1112 CG ASP B 78 28.709 21.477 8.706 1.00 0.00 C ATOM 1113 OD1 ASP B 78 27.697 22.195 8.869 1.00 0.00 O ATOM 1114 OD2 ASP B 78 29.893 21.868 8.827 1.00 0.00 O ATOM 0 H ASP B 78 28.025 17.933 7.162 1.00 0.00 H new ATOM 0 HA ASP B 78 26.358 19.834 8.408 1.00 0.00 H new ATOM 0 HB2 ASP B 78 28.570 19.395 9.230 1.00 0.00 H new ATOM 0 HB3 ASP B 78 29.296 19.690 7.662 1.00 0.00 H new ATOM 1119 N TYR B 79 25.607 21.365 6.694 1.00 0.00 N ATOM 1120 CA TYR B 79 25.134 22.414 5.809 1.00 0.00 C ATOM 1121 C TYR B 79 24.955 23.736 6.555 1.00 0.00 C ATOM 1122 O TYR B 79 25.048 23.778 7.778 1.00 0.00 O ATOM 1123 CB TYR B 79 23.855 21.938 5.118 1.00 0.00 C ATOM 1124 CG TYR B 79 23.146 22.982 4.286 1.00 0.00 C ATOM 1125 CD1 TYR B 79 22.156 23.788 4.866 1.00 0.00 C ATOM 1126 CD2 TYR B 79 23.477 23.139 2.931 1.00 0.00 C ATOM 1127 CE1 TYR B 79 21.489 24.750 4.096 1.00 0.00 C ATOM 1128 CE2 TYR B 79 22.816 24.103 2.155 1.00 0.00 C ATOM 1129 CZ TYR B 79 21.818 24.912 2.734 1.00 0.00 C ATOM 1130 OH TYR B 79 21.175 25.851 1.982 1.00 0.00 O ATOM 0 H TYR B 79 24.924 21.094 7.402 1.00 0.00 H new ATOM 0 HA TYR B 79 25.880 22.615 5.040 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.101 21.091 4.477 1.00 0.00 H new ATOM 0 HB3 TYR B 79 23.165 21.572 5.878 1.00 0.00 H new ATOM 0 HD1 TYR B 79 21.907 23.667 5.910 1.00 0.00 H new ATOM 0 HD2 TYR B 79 24.240 22.518 2.486 1.00 0.00 H new ATOM 0 HE1 TYR B 79 20.724 25.367 4.545 1.00 0.00 H new ATOM 0 HE2 TYR B 79 23.072 24.225 1.113 1.00 0.00 H new ATOM 0 HH TYR B 79 21.523 25.831 1.066 1.00 0.00 H new ATOM 1140 N ASP B 80 24.697 24.823 5.827 1.00 0.00 N ATOM 1141 CA ASP B 80 24.527 26.138 6.420 1.00 0.00 C ATOM 1142 C ASP B 80 23.356 26.179 7.406 1.00 0.00 C ATOM 1143 O ASP B 80 22.199 26.286 6.999 1.00 0.00 O ATOM 1144 CB ASP B 80 24.388 27.192 5.315 1.00 0.00 C ATOM 1145 CG ASP B 80 23.993 28.566 5.859 1.00 0.00 C ATOM 1146 OD1 ASP B 80 24.198 28.798 7.073 1.00 0.00 O ATOM 1147 OD2 ASP B 80 23.490 29.374 5.046 1.00 0.00 O ATOM 0 H ASP B 80 24.601 24.811 4.812 1.00 0.00 H new ATOM 0 HA ASP B 80 25.417 26.369 7.005 1.00 0.00 H new ATOM 0 HB2 ASP B 80 25.332 27.276 4.777 1.00 0.00 H new ATOM 0 HB3 ASP B 80 23.639 26.862 4.595 1.00 0.00 H new ATOM 1152 N GLY B 81 23.663 26.091 8.705 1.00 0.00 N ATOM 1153 CA GLY B 81 22.674 26.168 9.774 1.00 0.00 C ATOM 1154 C GLY B 81 21.894 24.862 9.955 1.00 0.00 C ATOM 1155 O GLY B 81 21.115 24.746 10.902 1.00 0.00 O ATOM 0 H GLY B 81 24.617 25.963 9.042 1.00 0.00 H new ATOM 0 HA2 GLY B 81 23.175 26.420 10.709 1.00 0.00 H new ATOM 0 HA3 GLY B 81 21.975 26.977 9.559 1.00 0.00 H new ATOM 1159 N TYR B 82 22.098 23.880 9.068 1.00 0.00 N ATOM 1160 CA TYR B 82 21.371 22.615 9.106 1.00 0.00 C ATOM 1161 C TYR B 82 22.247 21.404 8.776 1.00 0.00 C ATOM 1162 O TYR B 82 23.468 21.519 8.700 1.00 0.00 O ATOM 1163 CB TYR B 82 20.145 22.697 8.193 1.00 0.00 C ATOM 1164 CG TYR B 82 19.075 23.641 8.686 1.00 0.00 C ATOM 1165 CD1 TYR B 82 19.161 25.007 8.382 1.00 0.00 C ATOM 1166 CD2 TYR B 82 18.002 23.152 9.443 1.00 0.00 C ATOM 1167 CE1 TYR B 82 18.167 25.890 8.830 1.00 0.00 C ATOM 1168 CE2 TYR B 82 17.005 24.028 9.896 1.00 0.00 C ATOM 1169 CZ TYR B 82 17.084 25.401 9.589 1.00 0.00 C ATOM 1170 OH TYR B 82 16.116 26.256 10.029 1.00 0.00 O ATOM 0 H TYR B 82 22.773 23.945 8.306 1.00 0.00 H new ATOM 0 HA TYR B 82 21.041 22.457 10.133 1.00 0.00 H new ATOM 0 HB2 TYR B 82 20.465 23.013 7.200 1.00 0.00 H new ATOM 0 HB3 TYR B 82 19.716 21.701 8.088 1.00 0.00 H new ATOM 0 HD1 TYR B 82 19.993 25.380 7.803 1.00 0.00 H new ATOM 0 HD2 TYR B 82 17.943 22.099 9.678 1.00 0.00 H new ATOM 0 HE1 TYR B 82 18.231 26.942 8.594 1.00 0.00 H new ATOM 0 HE2 TYR B 82 16.178 23.651 10.479 1.00 0.00 H new ATOM 0 HH TYR B 82 15.443 25.755 10.536 1.00 0.00 H new ATOM 1180 N ARG B 83 21.619 20.241 8.578 1.00 0.00 N ATOM 1181 CA ARG B 83 22.313 18.991 8.305 1.00 0.00 C ATOM 1182 C ARG B 83 21.458 18.125 7.386 1.00 0.00 C ATOM 1183 O ARG B 83 20.275 17.913 7.654 1.00 0.00 O ATOM 1184 CB ARG B 83 22.614 18.306 9.639 1.00 0.00 C ATOM 1185 CG ARG B 83 23.457 17.049 9.450 1.00 0.00 C ATOM 1186 CD ARG B 83 23.879 16.526 10.823 1.00 0.00 C ATOM 1187 NE ARG B 83 24.756 15.358 10.701 1.00 0.00 N ATOM 1188 CZ ARG B 83 24.615 14.234 11.409 1.00 0.00 C ATOM 1189 NH1 ARG B 83 23.631 14.105 12.297 1.00 0.00 N ATOM 1190 NH2 ARG B 83 25.467 13.229 11.231 1.00 0.00 N ATOM 0 H ARG B 83 20.604 20.146 8.604 1.00 0.00 H new ATOM 0 HA ARG B 83 23.258 19.167 7.791 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.139 19.001 10.295 1.00 0.00 H new ATOM 0 HB3 ARG B 83 21.678 18.046 10.134 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.886 16.289 8.916 1.00 0.00 H new ATOM 0 HG3 ARG B 83 24.336 17.272 8.845 1.00 0.00 H new ATOM 0 HD2 ARG B 83 24.394 17.314 11.372 1.00 0.00 H new ATOM 0 HD3 ARG B 83 22.994 16.260 11.401 1.00 0.00 H new ATOM 0 HE ARG B 83 25.524 15.407 10.032 1.00 0.00 H new ATOM 0 HH11 ARG B 83 22.973 14.870 12.444 1.00 0.00 H new ATOM 0 HH12 ARG B 83 23.536 13.241 12.830 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.226 13.317 10.555 1.00 0.00 H new ATOM 0 HH22 ARG B 83 25.362 12.370 11.770 1.00 0.00 H new ATOM 1204 N LEU B 84 22.060 17.629 6.301 1.00 0.00 N ATOM 1205 CA LEU B 84 21.352 16.864 5.286 1.00 0.00 C ATOM 1206 C LEU B 84 20.786 15.580 5.883 1.00 0.00 C ATOM 1207 O LEU B 84 21.381 15.005 6.795 1.00 0.00 O ATOM 1208 CB LEU B 84 22.300 16.521 4.129 1.00 0.00 C ATOM 1209 CG LEU B 84 22.441 17.643 3.091 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.126 17.866 2.348 1.00 0.00 C ATOM 1211 CD2 LEU B 84 22.891 18.953 3.727 1.00 0.00 C ATOM 0 H LEU B 84 23.054 17.750 6.107 1.00 0.00 H new ATOM 0 HA LEU B 84 20.528 17.470 4.909 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.284 16.288 4.535 1.00 0.00 H new ATOM 0 HB3 LEU B 84 21.940 15.621 3.631 1.00 0.00 H new ATOM 0 HG LEU B 84 23.207 17.323 2.384 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.252 18.666 1.618 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.838 16.948 1.835 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.348 18.143 3.060 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.978 19.720 2.957 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.159 19.267 4.471 1.00 0.00 H new ATOM 0 HD23 LEU B 84 23.859 18.810 4.208 1.00 0.00 H new ATOM 1223 N ARG B 85 19.640 15.133 5.362 1.00 0.00 N ATOM 1224 CA ARG B 85 19.034 13.876 5.775 1.00 0.00 C ATOM 1225 C ARG B 85 18.896 12.944 4.582 1.00 0.00 C ATOM 1226 O ARG B 85 18.339 13.326 3.554 1.00 0.00 O ATOM 1227 CB ARG B 85 17.658 14.124 6.390 1.00 0.00 C ATOM 1228 CG ARG B 85 17.713 15.094 7.568 1.00 0.00 C ATOM 1229 CD ARG B 85 16.305 15.191 8.148 1.00 0.00 C ATOM 1230 NE ARG B 85 16.226 16.178 9.224 1.00 0.00 N ATOM 1231 CZ ARG B 85 15.076 16.722 9.628 1.00 0.00 C ATOM 1232 NH1 ARG B 85 13.934 16.373 9.044 1.00 0.00 N ATOM 1233 NH2 ARG B 85 15.066 17.614 10.613 1.00 0.00 N ATOM 0 H ARG B 85 19.113 15.633 4.646 1.00 0.00 H new ATOM 0 HA ARG B 85 19.679 13.413 6.522 1.00 0.00 H new ATOM 0 HB2 ARG B 85 16.988 14.521 5.627 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.236 13.176 6.723 1.00 0.00 H new ATOM 0 HG2 ARG B 85 18.415 14.741 8.323 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.062 16.074 7.242 1.00 0.00 H new ATOM 0 HD2 ARG B 85 15.604 15.459 7.357 1.00 0.00 H new ATOM 0 HD3 ARG B 85 16.000 14.215 8.527 1.00 0.00 H new ATOM 0 HE ARG B 85 17.089 16.464 9.687 1.00 0.00 H new ATOM 0 HH11 ARG B 85 13.936 15.689 8.287 1.00 0.00 H new ATOM 0 HH12 ARG B 85 13.055 16.789 9.353 1.00 0.00 H new ATOM 0 HH21 ARG B 85 15.940 17.886 11.064 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.185 18.027 10.918 1.00 0.00 H new ATOM 1247 N VAL B 86 19.403 11.718 4.732 1.00 0.00 N ATOM 1248 CA VAL B 86 19.240 10.654 3.751 1.00 0.00 C ATOM 1249 C VAL B 86 19.122 9.321 4.484 1.00 0.00 C ATOM 1250 O VAL B 86 20.097 8.585 4.613 1.00 0.00 O ATOM 1251 CB VAL B 86 20.392 10.650 2.732 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.034 9.725 1.570 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.676 12.046 2.173 1.00 0.00 C ATOM 0 H VAL B 86 19.944 11.438 5.550 1.00 0.00 H new ATOM 0 HA VAL B 86 18.328 10.824 3.179 1.00 0.00 H new ATOM 0 HB VAL B 86 21.286 10.303 3.251 1.00 0.00 H new ATOM 0 HG11 VAL B 86 20.848 9.719 0.845 1.00 0.00 H new ATOM 0 HG12 VAL B 86 19.875 8.714 1.945 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.123 10.081 1.089 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.497 11.992 1.458 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.785 12.426 1.674 1.00 0.00 H new ATOM 0 HG23 VAL B 86 20.949 12.716 2.988 1.00 0.00 H new ATOM 1263 N GLU B 87 17.918 9.011 4.967 1.00 0.00 N ATOM 1264 CA GLU B 87 17.673 7.819 5.766 1.00 0.00 C ATOM 1265 C GLU B 87 16.259 7.300 5.528 1.00 0.00 C ATOM 1266 O GLU B 87 15.400 8.036 5.049 1.00 0.00 O ATOM 1267 CB GLU B 87 17.890 8.142 7.248 1.00 0.00 C ATOM 1268 CG GLU B 87 16.932 9.245 7.719 1.00 0.00 C ATOM 1269 CD GLU B 87 17.123 9.573 9.200 1.00 0.00 C ATOM 1270 OE1 GLU B 87 17.939 8.881 9.855 1.00 0.00 O ATOM 1271 OE2 GLU B 87 16.446 10.517 9.662 1.00 0.00 O ATOM 0 H GLU B 87 17.087 9.583 4.813 1.00 0.00 H new ATOM 0 HA GLU B 87 18.373 7.038 5.469 1.00 0.00 H new ATOM 0 HB2 GLU B 87 17.737 7.243 7.846 1.00 0.00 H new ATOM 0 HB3 GLU B 87 18.921 8.459 7.407 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.094 10.144 7.124 1.00 0.00 H new ATOM 0 HG3 GLU B 87 15.903 8.930 7.547 1.00 0.00 H new ATOM 1278 N PHE B 88 16.011 6.032 5.860 1.00 0.00 N ATOM 1279 CA PHE B 88 14.699 5.423 5.698 1.00 0.00 C ATOM 1280 C PHE B 88 13.669 5.859 6.747 1.00 0.00 C ATOM 1281 O PHE B 88 14.046 6.286 7.838 1.00 0.00 O ATOM 1282 CB PHE B 88 14.817 3.901 5.587 1.00 0.00 C ATOM 1283 CG PHE B 88 15.864 3.307 6.503 1.00 0.00 C ATOM 1284 CD1 PHE B 88 17.192 3.180 6.068 1.00 0.00 C ATOM 1285 CD2 PHE B 88 15.509 2.884 7.793 1.00 0.00 C ATOM 1286 CE1 PHE B 88 18.159 2.633 6.921 1.00 0.00 C ATOM 1287 CE2 PHE B 88 16.478 2.340 8.646 1.00 0.00 C ATOM 1288 CZ PHE B 88 17.802 2.214 8.211 1.00 0.00 C ATOM 0 H PHE B 88 16.715 5.404 6.247 1.00 0.00 H new ATOM 0 HA PHE B 88 14.300 5.802 4.757 1.00 0.00 H new ATOM 0 HB2 PHE B 88 13.850 3.452 5.815 1.00 0.00 H new ATOM 0 HB3 PHE B 88 15.056 3.638 4.557 1.00 0.00 H new ATOM 0 HD1 PHE B 88 17.469 3.504 5.076 1.00 0.00 H new ATOM 0 HD2 PHE B 88 14.487 2.978 8.129 1.00 0.00 H new ATOM 0 HE1 PHE B 88 19.181 2.534 6.585 1.00 0.00 H new ATOM 0 HE2 PHE B 88 16.203 2.018 9.639 1.00 0.00 H new ATOM 0 HZ PHE B 88 18.549 1.794 8.869 1.00 0.00 H new ATOM 1298 N PRO B 89 12.369 5.755 6.427 1.00 0.00 N ATOM 1299 CA PRO B 89 11.283 6.078 7.341 1.00 0.00 C ATOM 1300 C PRO B 89 11.395 5.305 8.653 1.00 0.00 C ATOM 1301 O PRO B 89 11.653 4.084 8.590 1.00 0.00 O ATOM 1302 CB PRO B 89 9.991 5.730 6.593 1.00 0.00 C ATOM 1303 CG PRO B 89 10.394 5.751 5.115 1.00 0.00 C ATOM 1304 CD PRO B 89 11.860 5.333 5.135 1.00 0.00 C ATOM 0 HA PRO B 89 11.309 7.130 7.624 1.00 0.00 H new ATOM 0 HB2 PRO B 89 9.611 4.752 6.888 1.00 0.00 H new ATOM 0 HB3 PRO B 89 9.203 6.454 6.801 1.00 0.00 H new ATOM 0 HG2 PRO B 89 9.789 5.062 4.525 1.00 0.00 H new ATOM 0 HG3 PRO B 89 10.266 6.742 4.679 1.00 0.00 H new ATOM 0 HD2 PRO B 89 11.962 4.255 5.007 1.00 0.00 H new ATOM 0 HD3 PRO B 89 12.413 5.805 4.323 1.00 0.00 H new