USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 321 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 402 HIS : no HD1:sc= -3.3! X(o=-3.3!,f=-3.3) USER MOD Set 1.2: A 404 HIS : no HD1:sc= 0 X(o=-3.3,f=-3.3) USER MOD Single : A 369 SER OG : rot -9:sc= 0.394! USER MOD Single : A 374 ASN : amide:sc= -6.47! C(o=-6.5!,f=-4!) USER MOD Single : A 396 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 HIS : no HD1:sc= -0.0065 X(o=-0.0065,f=-0.28) USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 409 GLN : amide:sc= -3.43! K(o=-3.4!,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 369 16.928 -7.646 -24.822 1.00 0.00 N ATOM 2 CA SER A 369 18.185 -6.852 -24.917 1.00 0.00 C ATOM 3 C SER A 369 19.270 -7.514 -24.073 1.00 0.00 C ATOM 4 O SER A 369 19.060 -7.809 -22.896 1.00 0.00 O ATOM 5 CB SER A 369 17.926 -5.431 -24.414 1.00 0.00 C ATOM 6 OG SER A 369 18.006 -5.415 -22.995 1.00 0.00 O ATOM 0 HA SER A 369 18.516 -6.811 -25.955 1.00 0.00 H new ATOM 0 HB2 SER A 369 18.657 -4.743 -24.839 1.00 0.00 H new ATOM 0 HB3 SER A 369 16.942 -5.091 -24.738 1.00 0.00 H new ATOM 0 HG SER A 369 18.066 -6.334 -22.660 1.00 0.00 H new ATOM 14 N ALA A 370 20.429 -7.744 -24.683 1.00 0.00 N ATOM 15 CA ALA A 370 21.541 -8.374 -23.972 1.00 0.00 C ATOM 16 C ALA A 370 22.026 -7.478 -22.837 1.00 0.00 C ATOM 17 O ALA A 370 22.389 -7.960 -21.765 1.00 0.00 O ATOM 18 CB ALA A 370 22.707 -8.654 -24.929 1.00 0.00 C ATOM 0 H ALA A 370 20.623 -7.508 -25.656 1.00 0.00 H new ATOM 0 HA ALA A 370 21.183 -9.317 -23.559 1.00 0.00 H new ATOM 0 HB1 ALA A 370 23.524 -9.123 -24.380 1.00 0.00 H new ATOM 0 HB2 ALA A 370 22.373 -9.322 -25.723 1.00 0.00 H new ATOM 0 HB3 ALA A 370 23.053 -7.717 -25.365 1.00 0.00 H new ATOM 24 N ASP A 371 22.031 -6.169 -23.083 1.00 0.00 N ATOM 25 CA ASP A 371 22.476 -5.205 -22.072 1.00 0.00 C ATOM 26 C ASP A 371 21.282 -4.674 -21.283 1.00 0.00 C ATOM 27 O ASP A 371 20.465 -3.918 -21.810 1.00 0.00 O ATOM 28 CB ASP A 371 23.208 -4.031 -22.735 1.00 0.00 C ATOM 29 CG ASP A 371 24.431 -4.541 -23.489 1.00 0.00 C ATOM 30 OD1 ASP A 371 24.890 -5.626 -23.170 1.00 0.00 O ATOM 31 OD2 ASP A 371 24.891 -3.840 -24.376 1.00 0.00 O ATOM 0 H ASP A 371 21.735 -5.752 -23.965 1.00 0.00 H new ATOM 0 HA ASP A 371 23.159 -5.716 -21.393 1.00 0.00 H new ATOM 0 HB2 ASP A 371 22.537 -3.513 -23.421 1.00 0.00 H new ATOM 0 HB3 ASP A 371 23.512 -3.307 -21.979 1.00 0.00 H new ATOM 36 N ASP A 372 21.185 -5.073 -20.016 1.00 0.00 N ATOM 37 CA ASP A 372 20.087 -4.629 -19.161 1.00 0.00 C ATOM 38 C ASP A 372 20.430 -3.300 -18.498 1.00 0.00 C ATOM 39 O ASP A 372 21.336 -3.225 -17.670 1.00 0.00 O ATOM 40 CB ASP A 372 19.810 -5.679 -18.083 1.00 0.00 C ATOM 41 CG ASP A 372 18.632 -5.241 -17.220 1.00 0.00 C ATOM 42 OD1 ASP A 372 18.173 -4.126 -17.400 1.00 0.00 O ATOM 43 OD2 ASP A 372 18.205 -6.029 -16.391 1.00 0.00 O ATOM 0 H ASP A 372 21.849 -5.699 -19.561 1.00 0.00 H new ATOM 0 HA ASP A 372 19.199 -4.497 -19.779 1.00 0.00 H new ATOM 0 HB2 ASP A 372 19.593 -6.641 -18.548 1.00 0.00 H new ATOM 0 HB3 ASP A 372 20.695 -5.817 -17.462 1.00 0.00 H new ATOM 48 N ASP A 373 19.700 -2.255 -18.870 1.00 0.00 N ATOM 49 CA ASP A 373 19.937 -0.932 -18.307 1.00 0.00 C ATOM 50 C ASP A 373 19.597 -0.915 -16.819 1.00 0.00 C ATOM 51 O ASP A 373 18.656 -1.574 -16.380 1.00 0.00 O ATOM 52 CB ASP A 373 19.088 0.108 -19.038 1.00 0.00 C ATOM 53 CG ASP A 373 17.607 -0.216 -18.868 1.00 0.00 C ATOM 54 OD1 ASP A 373 17.308 -1.253 -18.299 1.00 0.00 O ATOM 55 OD2 ASP A 373 16.792 0.579 -19.307 1.00 0.00 O ATOM 0 H ASP A 373 18.945 -2.297 -19.554 1.00 0.00 H new ATOM 0 HA ASP A 373 20.992 -0.689 -18.431 1.00 0.00 H new ATOM 0 HB2 ASP A 373 19.299 1.103 -18.645 1.00 0.00 H new ATOM 0 HB3 ASP A 373 19.347 0.122 -20.097 1.00 0.00 H new ATOM 60 N ASN A 374 20.372 -0.156 -16.050 1.00 0.00 N ATOM 61 CA ASN A 374 20.145 -0.060 -14.613 1.00 0.00 C ATOM 62 C ASN A 374 19.002 0.906 -14.319 1.00 0.00 C ATOM 63 O ASN A 374 18.747 1.833 -15.088 1.00 0.00 O ATOM 64 CB ASN A 374 21.419 0.420 -13.914 1.00 0.00 C ATOM 65 CG ASN A 374 21.267 0.287 -12.402 1.00 0.00 C ATOM 66 OD1 ASN A 374 20.592 -0.624 -11.923 1.00 0.00 O ATOM 67 ND2 ASN A 374 21.862 1.144 -11.618 1.00 0.00 N ATOM 0 H ASN A 374 21.157 0.397 -16.395 1.00 0.00 H new ATOM 0 HA ASN A 374 19.878 -1.047 -14.236 1.00 0.00 H new ATOM 0 HB2 ASN A 374 22.273 -0.165 -14.255 1.00 0.00 H new ATOM 0 HB3 ASN A 374 21.619 1.459 -14.178 1.00 0.00 H new ATOM 0 HD21 ASN A 374 21.768 1.060 -10.606 1.00 0.00 H new ATOM 0 HD22 ASN A 374 22.421 1.898 -12.017 1.00 0.00 H new ATOM 74 N PHE A 375 18.313 0.681 -13.202 1.00 0.00 N ATOM 75 CA PHE A 375 17.193 1.535 -12.810 1.00 0.00 C ATOM 76 C PHE A 375 17.678 2.679 -11.928 1.00 0.00 C ATOM 77 O PHE A 375 17.710 2.562 -10.704 1.00 0.00 O ATOM 78 CB PHE A 375 16.154 0.712 -12.048 1.00 0.00 C ATOM 79 CG PHE A 375 15.523 -0.289 -12.984 1.00 0.00 C ATOM 80 CD1 PHE A 375 14.498 0.112 -13.849 1.00 0.00 C ATOM 81 CD2 PHE A 375 15.964 -1.619 -12.990 1.00 0.00 C ATOM 82 CE1 PHE A 375 13.913 -0.816 -14.720 1.00 0.00 C ATOM 83 CE2 PHE A 375 15.379 -2.547 -13.860 1.00 0.00 C ATOM 84 CZ PHE A 375 14.353 -2.145 -14.725 1.00 0.00 C ATOM 0 H PHE A 375 18.509 -0.082 -12.554 1.00 0.00 H new ATOM 0 HA PHE A 375 16.742 1.949 -13.712 1.00 0.00 H new ATOM 0 HB2 PHE A 375 16.625 0.197 -11.211 1.00 0.00 H new ATOM 0 HB3 PHE A 375 15.390 1.368 -11.630 1.00 0.00 H new ATOM 0 HD1 PHE A 375 14.158 1.137 -13.845 1.00 0.00 H new ATOM 0 HD2 PHE A 375 16.755 -1.928 -12.323 1.00 0.00 H new ATOM 0 HE1 PHE A 375 13.123 -0.506 -15.388 1.00 0.00 H new ATOM 0 HE2 PHE A 375 15.719 -3.572 -13.864 1.00 0.00 H new ATOM 0 HZ PHE A 375 13.901 -2.861 -15.396 1.00 0.00 H new ATOM 94 N LEU A 376 18.058 3.786 -12.564 1.00 0.00 N ATOM 95 CA LEU A 376 18.547 4.962 -11.838 1.00 0.00 C ATOM 96 C LEU A 376 17.868 6.229 -12.347 1.00 0.00 C ATOM 97 O LEU A 376 17.486 6.315 -13.513 1.00 0.00 O ATOM 98 CB LEU A 376 20.063 5.088 -12.009 1.00 0.00 C ATOM 99 CG LEU A 376 20.773 3.940 -11.272 1.00 0.00 C ATOM 100 CD1 LEU A 376 22.257 3.944 -11.652 1.00 0.00 C ATOM 101 CD2 LEU A 376 20.625 4.104 -9.743 1.00 0.00 C ATOM 0 H LEU A 376 18.038 3.895 -13.578 1.00 0.00 H new ATOM 0 HA LEU A 376 18.309 4.837 -10.782 1.00 0.00 H new ATOM 0 HB2 LEU A 376 20.321 5.066 -13.068 1.00 0.00 H new ATOM 0 HB3 LEU A 376 20.403 6.047 -11.618 1.00 0.00 H new ATOM 0 HG LEU A 376 20.318 2.993 -11.563 1.00 0.00 H new ATOM 0 HD11 LEU A 376 22.768 3.133 -11.133 1.00 0.00 H new ATOM 0 HD12 LEU A 376 22.357 3.806 -12.729 1.00 0.00 H new ATOM 0 HD13 LEU A 376 22.704 4.896 -11.365 1.00 0.00 H new ATOM 0 HD21 LEU A 376 21.134 3.283 -9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 376 21.069 5.050 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 376 19.568 4.095 -9.477 1.00 0.00 H new ATOM 113 N VAL A 377 17.719 7.208 -11.458 1.00 0.00 N ATOM 114 CA VAL A 377 17.081 8.468 -11.820 1.00 0.00 C ATOM 115 C VAL A 377 15.638 8.229 -12.254 1.00 0.00 C ATOM 116 O VAL A 377 15.244 8.588 -13.364 1.00 0.00 O ATOM 117 CB VAL A 377 17.857 9.141 -12.958 1.00 0.00 C ATOM 118 CG1 VAL A 377 17.429 10.606 -13.073 1.00 0.00 C ATOM 119 CG2 VAL A 377 19.357 9.071 -12.661 1.00 0.00 C ATOM 0 H VAL A 377 18.030 7.153 -10.488 1.00 0.00 H new ATOM 0 HA VAL A 377 17.083 9.121 -10.947 1.00 0.00 H new ATOM 0 HB VAL A 377 17.646 8.627 -13.896 1.00 0.00 H new ATOM 0 HG11 VAL A 377 17.981 11.084 -13.882 1.00 0.00 H new ATOM 0 HG12 VAL A 377 16.361 10.658 -13.283 1.00 0.00 H new ATOM 0 HG13 VAL A 377 17.640 11.121 -12.136 1.00 0.00 H new ATOM 0 HG21 VAL A 377 19.911 9.549 -13.469 1.00 0.00 H new ATOM 0 HG22 VAL A 377 19.567 9.586 -11.723 1.00 0.00 H new ATOM 0 HG23 VAL A 377 19.663 8.028 -12.579 1.00 0.00 H new ATOM 129 N PRO A 378 14.849 7.629 -11.400 1.00 0.00 N ATOM 130 CA PRO A 378 13.416 7.329 -11.695 1.00 0.00 C ATOM 131 C PRO A 378 12.555 8.595 -11.709 1.00 0.00 C ATOM 132 O PRO A 378 12.807 9.536 -10.957 1.00 0.00 O ATOM 133 CB PRO A 378 13.013 6.380 -10.557 1.00 0.00 C ATOM 134 CG PRO A 378 13.907 6.751 -9.418 1.00 0.00 C ATOM 135 CD PRO A 378 15.235 7.174 -10.050 1.00 0.00 C ATOM 0 HA PRO A 378 13.273 6.893 -12.684 1.00 0.00 H new ATOM 0 HB2 PRO A 378 11.963 6.503 -10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 378 13.149 5.337 -10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 378 13.477 7.563 -8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 378 14.047 5.909 -8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 378 15.714 7.970 -9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 378 15.940 6.344 -10.093 1.00 0.00 H new ATOM 143 N ILE A 379 11.537 8.607 -12.572 1.00 0.00 N ATOM 144 CA ILE A 379 10.640 9.759 -12.681 1.00 0.00 C ATOM 145 C ILE A 379 9.379 9.534 -11.849 1.00 0.00 C ATOM 146 O ILE A 379 9.220 10.115 -10.777 1.00 0.00 O ATOM 147 CB ILE A 379 10.256 9.985 -14.146 1.00 0.00 C ATOM 148 CG1 ILE A 379 11.509 10.348 -14.948 1.00 0.00 C ATOM 149 CG2 ILE A 379 9.245 11.130 -14.240 1.00 0.00 C ATOM 150 CD1 ILE A 379 11.185 10.310 -16.443 1.00 0.00 C ATOM 0 H ILE A 379 11.314 7.837 -13.202 1.00 0.00 H new ATOM 0 HA ILE A 379 11.159 10.640 -12.303 1.00 0.00 H new ATOM 0 HB ILE A 379 9.812 9.075 -14.550 1.00 0.00 H new ATOM 0 HG12 ILE A 379 11.860 11.341 -14.666 1.00 0.00 H new ATOM 0 HG13 ILE A 379 12.314 9.649 -14.721 1.00 0.00 H new ATOM 0 HG21 ILE A 379 8.972 11.290 -15.283 1.00 0.00 H new ATOM 0 HG22 ILE A 379 8.353 10.876 -13.667 1.00 0.00 H new ATOM 0 HG23 ILE A 379 9.688 12.041 -13.837 1.00 0.00 H new ATOM 0 HD11 ILE A 379 12.076 10.568 -17.015 1.00 0.00 H new ATOM 0 HD12 ILE A 379 10.855 9.308 -16.718 1.00 0.00 H new ATOM 0 HD13 ILE A 379 10.393 11.026 -16.662 1.00 0.00 H new ATOM 162 N ALA A 380 8.485 8.678 -12.348 1.00 0.00 N ATOM 163 CA ALA A 380 7.241 8.373 -11.643 1.00 0.00 C ATOM 164 C ALA A 380 7.427 7.147 -10.745 1.00 0.00 C ATOM 165 O ALA A 380 6.657 6.936 -9.808 1.00 0.00 O ATOM 166 CB ALA A 380 6.092 8.143 -12.645 1.00 0.00 C ATOM 0 H ALA A 380 8.600 8.186 -13.234 1.00 0.00 H new ATOM 0 HA ALA A 380 6.980 9.225 -11.016 1.00 0.00 H new ATOM 0 HB1 ALA A 380 5.175 7.917 -12.101 1.00 0.00 H new ATOM 0 HB2 ALA A 380 5.947 9.042 -13.245 1.00 0.00 H new ATOM 0 HB3 ALA A 380 6.341 7.307 -13.299 1.00 0.00 H new ATOM 172 N VAL A 381 8.454 6.341 -11.034 1.00 0.00 N ATOM 173 CA VAL A 381 8.721 5.146 -10.236 1.00 0.00 C ATOM 174 C VAL A 381 9.185 5.528 -8.829 1.00 0.00 C ATOM 175 O VAL A 381 8.752 4.934 -7.842 1.00 0.00 O ATOM 176 CB VAL A 381 9.774 4.265 -10.933 1.00 0.00 C ATOM 177 CG1 VAL A 381 10.241 3.157 -9.981 1.00 0.00 C ATOM 178 CG2 VAL A 381 9.159 3.616 -12.181 1.00 0.00 C ATOM 0 H VAL A 381 9.105 6.493 -11.805 1.00 0.00 H new ATOM 0 HA VAL A 381 7.796 4.577 -10.145 1.00 0.00 H new ATOM 0 HB VAL A 381 10.622 4.888 -11.216 1.00 0.00 H new ATOM 0 HG11 VAL A 381 10.986 2.538 -10.481 1.00 0.00 H new ATOM 0 HG12 VAL A 381 10.680 3.605 -9.090 1.00 0.00 H new ATOM 0 HG13 VAL A 381 9.389 2.540 -9.695 1.00 0.00 H new ATOM 0 HG21 VAL A 381 9.906 2.993 -12.673 1.00 0.00 H new ATOM 0 HG22 VAL A 381 8.308 3.000 -11.889 1.00 0.00 H new ATOM 0 HG23 VAL A 381 8.825 4.393 -12.868 1.00 0.00 H new ATOM 188 N GLY A 382 10.070 6.518 -8.744 1.00 0.00 N ATOM 189 CA GLY A 382 10.588 6.960 -7.454 1.00 0.00 C ATOM 190 C GLY A 382 9.473 7.526 -6.580 1.00 0.00 C ATOM 191 O GLY A 382 9.444 7.299 -5.371 1.00 0.00 O ATOM 0 H GLY A 382 10.441 7.026 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 382 11.065 6.123 -6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 382 11.355 7.719 -7.607 1.00 0.00 H new ATOM 195 N ALA A 383 8.560 8.266 -7.199 1.00 0.00 N ATOM 196 CA ALA A 383 7.449 8.863 -6.466 1.00 0.00 C ATOM 197 C ALA A 383 6.547 7.780 -5.880 1.00 0.00 C ATOM 198 O ALA A 383 6.073 7.899 -4.752 1.00 0.00 O ATOM 199 CB ALA A 383 6.634 9.762 -7.397 1.00 0.00 C ATOM 0 H ALA A 383 8.566 8.466 -8.199 1.00 0.00 H new ATOM 0 HA ALA A 383 7.856 9.459 -5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.806 10.204 -6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.272 10.554 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 383 6.242 9.169 -8.224 1.00 0.00 H new ATOM 205 N ALA A 384 6.314 6.725 -6.655 1.00 0.00 N ATOM 206 CA ALA A 384 5.466 5.629 -6.197 1.00 0.00 C ATOM 207 C ALA A 384 6.078 4.957 -4.971 1.00 0.00 C ATOM 208 O ALA A 384 5.391 4.702 -3.982 1.00 0.00 O ATOM 209 CB ALA A 384 5.297 4.599 -7.316 1.00 0.00 C ATOM 0 H ALA A 384 6.696 6.606 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 384 4.491 6.034 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 384 4.663 3.784 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 384 4.834 5.074 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 384 6.273 4.204 -7.598 1.00 0.00 H new ATOM 215 N LEU A 385 7.376 4.681 -5.044 1.00 0.00 N ATOM 216 CA LEU A 385 8.082 4.047 -3.928 1.00 0.00 C ATOM 217 C LEU A 385 8.121 4.981 -2.717 1.00 0.00 C ATOM 218 O LEU A 385 7.959 4.543 -1.579 1.00 0.00 O ATOM 219 CB LEU A 385 9.515 3.648 -4.352 1.00 0.00 C ATOM 220 CG LEU A 385 9.532 2.213 -4.941 1.00 0.00 C ATOM 221 CD1 LEU A 385 10.706 2.061 -5.914 1.00 0.00 C ATOM 222 CD2 LEU A 385 9.690 1.195 -3.803 1.00 0.00 C ATOM 0 H LEU A 385 7.960 4.883 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 385 7.541 3.143 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 385 9.891 4.355 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 385 10.182 3.702 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 385 8.596 2.036 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 385 10.711 1.051 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 385 10.601 2.781 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 385 11.642 2.243 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 385 9.702 0.186 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 385 10.625 1.382 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 385 8.855 1.293 -3.109 1.00 0.00 H new ATOM 234 N ALA A 386 8.341 6.266 -2.973 1.00 0.00 N ATOM 235 CA ALA A 386 8.405 7.247 -1.896 1.00 0.00 C ATOM 236 C ALA A 386 7.087 7.291 -1.130 1.00 0.00 C ATOM 237 O ALA A 386 7.073 7.412 0.093 1.00 0.00 O ATOM 238 CB ALA A 386 8.714 8.633 -2.469 1.00 0.00 C ATOM 0 H ALA A 386 8.477 6.650 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 386 9.199 6.953 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 386 8.760 9.360 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 386 9.672 8.607 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 386 7.930 8.920 -3.170 1.00 0.00 H new ATOM 244 N GLY A 387 5.978 7.191 -1.859 1.00 0.00 N ATOM 245 CA GLY A 387 4.659 7.217 -1.237 1.00 0.00 C ATOM 246 C GLY A 387 4.445 5.994 -0.347 1.00 0.00 C ATOM 247 O GLY A 387 3.871 6.096 0.737 1.00 0.00 O ATOM 0 H GLY A 387 5.967 7.092 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 387 4.551 8.125 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 387 3.890 7.247 -2.009 1.00 0.00 H new ATOM 251 N VAL A 388 4.907 4.840 -0.815 1.00 0.00 N ATOM 252 CA VAL A 388 4.759 3.600 -0.057 1.00 0.00 C ATOM 253 C VAL A 388 5.568 3.659 1.238 1.00 0.00 C ATOM 254 O VAL A 388 5.099 3.240 2.295 1.00 0.00 O ATOM 255 CB VAL A 388 5.222 2.405 -0.893 1.00 0.00 C ATOM 256 CG1 VAL A 388 5.120 1.130 -0.050 1.00 0.00 C ATOM 257 CG2 VAL A 388 4.333 2.270 -2.135 1.00 0.00 C ATOM 0 H VAL A 388 5.385 4.736 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 388 3.704 3.480 0.189 1.00 0.00 H new ATOM 0 HB VAL A 388 6.255 2.557 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 388 5.449 0.276 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.753 1.226 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 388 4.086 0.980 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 388 4.665 1.418 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 388 3.299 2.117 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 388 4.403 3.179 -2.733 1.00 0.00 H new ATOM 267 N LEU A 389 6.786 4.185 1.143 1.00 0.00 N ATOM 268 CA LEU A 389 7.657 4.298 2.317 1.00 0.00 C ATOM 269 C LEU A 389 7.026 5.217 3.363 1.00 0.00 C ATOM 270 O LEU A 389 7.108 4.955 4.564 1.00 0.00 O ATOM 271 CB LEU A 389 9.056 4.820 1.905 1.00 0.00 C ATOM 272 CG LEU A 389 10.010 3.644 1.570 1.00 0.00 C ATOM 273 CD1 LEU A 389 11.093 4.116 0.590 1.00 0.00 C ATOM 274 CD2 LEU A 389 10.680 3.150 2.859 1.00 0.00 C ATOM 0 H LEU A 389 7.192 4.537 0.276 1.00 0.00 H new ATOM 0 HA LEU A 389 7.776 3.308 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 389 8.963 5.476 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 389 9.478 5.417 2.713 1.00 0.00 H new ATOM 0 HG LEU A 389 9.437 2.835 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 389 11.760 3.286 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 389 10.624 4.472 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 389 11.665 4.926 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 389 11.351 2.323 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 389 11.249 3.964 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 389 9.916 2.811 3.559 1.00 0.00 H new ATOM 286 N ILE A 390 6.394 6.290 2.903 1.00 0.00 N ATOM 287 CA ILE A 390 5.751 7.235 3.810 1.00 0.00 C ATOM 288 C ILE A 390 4.630 6.538 4.580 1.00 0.00 C ATOM 289 O ILE A 390 4.469 6.742 5.784 1.00 0.00 O ATOM 290 CB ILE A 390 5.189 8.422 3.012 1.00 0.00 C ATOM 291 CG1 ILE A 390 6.347 9.263 2.422 1.00 0.00 C ATOM 292 CG2 ILE A 390 4.306 9.292 3.918 1.00 0.00 C ATOM 293 CD1 ILE A 390 6.892 10.275 3.447 1.00 0.00 C ATOM 0 H ILE A 390 6.313 6.527 1.914 1.00 0.00 H new ATOM 0 HA ILE A 390 6.488 7.606 4.523 1.00 0.00 H new ATOM 0 HB ILE A 390 4.582 8.041 2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 390 7.151 8.601 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 390 5.998 9.794 1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 390 3.912 10.131 3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 390 3.479 8.695 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 390 4.899 9.669 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 390 7.703 10.847 2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 390 6.094 10.953 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 390 7.265 9.742 4.322 1.00 0.00 H new ATOM 305 N LEU A 391 3.858 5.716 3.875 1.00 0.00 N ATOM 306 CA LEU A 391 2.750 4.994 4.495 1.00 0.00 C ATOM 307 C LEU A 391 3.265 4.073 5.604 1.00 0.00 C ATOM 308 O LEU A 391 2.666 3.978 6.676 1.00 0.00 O ATOM 309 CB LEU A 391 2.019 4.165 3.423 1.00 0.00 C ATOM 310 CG LEU A 391 1.051 5.064 2.622 1.00 0.00 C ATOM 311 CD1 LEU A 391 0.822 4.473 1.227 1.00 0.00 C ATOM 312 CD2 LEU A 391 -0.300 5.145 3.341 1.00 0.00 C ATOM 0 H LEU A 391 3.978 5.533 2.879 1.00 0.00 H new ATOM 0 HA LEU A 391 2.060 5.713 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 391 2.744 3.708 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 391 1.466 3.353 3.895 1.00 0.00 H new ATOM 0 HG LEU A 391 1.490 6.058 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 391 0.138 5.113 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 391 1.773 4.409 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 391 0.391 3.476 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -0.978 5.780 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -0.726 4.146 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -0.158 5.567 4.336 1.00 0.00 H new ATOM 324 N VAL A 392 4.381 3.404 5.338 1.00 0.00 N ATOM 325 CA VAL A 392 4.978 2.494 6.312 1.00 0.00 C ATOM 326 C VAL A 392 5.441 3.258 7.552 1.00 0.00 C ATOM 327 O VAL A 392 5.259 2.799 8.677 1.00 0.00 O ATOM 328 CB VAL A 392 6.170 1.766 5.686 1.00 0.00 C ATOM 329 CG1 VAL A 392 6.860 0.901 6.745 1.00 0.00 C ATOM 330 CG2 VAL A 392 5.680 0.876 4.543 1.00 0.00 C ATOM 0 H VAL A 392 4.891 3.474 4.457 1.00 0.00 H new ATOM 0 HA VAL A 392 4.222 1.767 6.609 1.00 0.00 H new ATOM 0 HB VAL A 392 6.879 2.499 5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.708 0.384 6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 392 7.211 1.534 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 392 6.153 0.168 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 392 6.528 0.357 4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 392 4.970 0.145 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 392 5.192 1.491 3.787 1.00 0.00 H new ATOM 340 N LEU A 393 6.045 4.420 7.334 1.00 0.00 N ATOM 341 CA LEU A 393 6.544 5.239 8.444 1.00 0.00 C ATOM 342 C LEU A 393 5.396 5.655 9.367 1.00 0.00 C ATOM 343 O LEU A 393 5.542 5.651 10.589 1.00 0.00 O ATOM 344 CB LEU A 393 7.257 6.490 7.888 1.00 0.00 C ATOM 345 CG LEU A 393 8.747 6.190 7.599 1.00 0.00 C ATOM 346 CD1 LEU A 393 9.263 7.126 6.500 1.00 0.00 C ATOM 347 CD2 LEU A 393 9.573 6.415 8.873 1.00 0.00 C ATOM 0 H LEU A 393 6.203 4.818 6.408 1.00 0.00 H new ATOM 0 HA LEU A 393 7.253 4.648 9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 393 6.764 6.819 6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 393 7.178 7.308 8.605 1.00 0.00 H new ATOM 0 HG LEU A 393 8.843 5.155 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 393 10.313 6.910 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.682 6.974 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 393 9.161 8.161 6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 393 10.622 6.203 8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 393 9.468 7.451 9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 393 9.216 5.751 9.660 1.00 0.00 H new ATOM 359 N LEU A 394 4.262 6.016 8.780 1.00 0.00 N ATOM 360 CA LEU A 394 3.107 6.433 9.568 1.00 0.00 C ATOM 361 C LEU A 394 2.637 5.295 10.468 1.00 0.00 C ATOM 362 O LEU A 394 2.305 5.513 11.633 1.00 0.00 O ATOM 363 CB LEU A 394 1.970 6.860 8.633 1.00 0.00 C ATOM 364 CG LEU A 394 0.715 7.289 9.442 1.00 0.00 C ATOM 365 CD1 LEU A 394 0.076 8.531 8.806 1.00 0.00 C ATOM 366 CD2 LEU A 394 -0.327 6.154 9.457 1.00 0.00 C ATOM 0 H LEU A 394 4.117 6.029 7.771 1.00 0.00 H new ATOM 0 HA LEU A 394 3.396 7.276 10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 394 2.302 7.687 8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 394 1.714 6.036 7.967 1.00 0.00 H new ATOM 0 HG LEU A 394 1.029 7.513 10.462 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -0.803 8.823 9.381 1.00 0.00 H new ATOM 0 HD12 LEU A 394 0.796 9.349 8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -0.220 8.304 7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -1.200 6.470 10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -0.626 5.921 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 394 0.107 5.267 9.919 1.00 0.00 H new ATOM 378 N ALA A 395 2.614 4.081 9.925 1.00 0.00 N ATOM 379 CA ALA A 395 2.187 2.924 10.703 1.00 0.00 C ATOM 380 C ALA A 395 3.077 2.764 11.933 1.00 0.00 C ATOM 381 O ALA A 395 2.592 2.543 13.042 1.00 0.00 O ATOM 382 CB ALA A 395 2.263 1.660 9.844 1.00 0.00 C ATOM 0 H ALA A 395 2.882 3.875 8.963 1.00 0.00 H new ATOM 0 HA ALA A 395 1.157 3.077 11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 395 1.942 0.800 10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 395 1.611 1.770 8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 395 3.289 1.508 9.510 1.00 0.00 H new ATOM 388 N TYR A 396 4.383 2.890 11.724 1.00 0.00 N ATOM 389 CA TYR A 396 5.344 2.771 12.815 1.00 0.00 C ATOM 390 C TYR A 396 5.160 3.919 13.805 1.00 0.00 C ATOM 391 O TYR A 396 5.359 3.753 15.009 1.00 0.00 O ATOM 392 CB TYR A 396 6.778 2.784 12.255 1.00 0.00 C ATOM 393 CG TYR A 396 7.159 1.396 11.777 1.00 0.00 C ATOM 394 CD1 TYR A 396 6.383 0.752 10.806 1.00 0.00 C ATOM 395 CD2 TYR A 396 8.289 0.755 12.305 1.00 0.00 C ATOM 396 CE1 TYR A 396 6.734 -0.528 10.364 1.00 0.00 C ATOM 397 CE2 TYR A 396 8.638 -0.526 11.862 1.00 0.00 C ATOM 398 CZ TYR A 396 7.861 -1.167 10.892 1.00 0.00 C ATOM 399 OH TYR A 396 8.207 -2.429 10.455 1.00 0.00 O ATOM 0 H TYR A 396 4.800 3.074 10.811 1.00 0.00 H new ATOM 0 HA TYR A 396 5.173 1.828 13.334 1.00 0.00 H new ATOM 0 HB2 TYR A 396 6.849 3.494 11.431 1.00 0.00 H new ATOM 0 HB3 TYR A 396 7.475 3.117 13.024 1.00 0.00 H new ATOM 0 HD1 TYR A 396 5.512 1.244 10.398 1.00 0.00 H new ATOM 0 HD2 TYR A 396 8.890 1.250 13.054 1.00 0.00 H new ATOM 0 HE1 TYR A 396 6.134 -1.023 9.615 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.508 -1.020 12.270 1.00 0.00 H new ATOM 0 HH TYR A 396 9.015 -2.727 10.922 1.00 0.00 H new ATOM 409 N PHE A 397 4.786 5.084 13.288 1.00 0.00 N ATOM 410 CA PHE A 397 4.589 6.251 14.135 1.00 0.00 C ATOM 411 C PHE A 397 3.545 5.947 15.206 1.00 0.00 C ATOM 412 O PHE A 397 3.740 6.258 16.381 1.00 0.00 O ATOM 413 CB PHE A 397 4.131 7.441 13.284 1.00 0.00 C ATOM 414 CG PHE A 397 4.200 8.708 14.102 1.00 0.00 C ATOM 415 CD1 PHE A 397 3.214 8.984 15.056 1.00 0.00 C ATOM 416 CD2 PHE A 397 5.258 9.605 13.908 1.00 0.00 C ATOM 417 CE1 PHE A 397 3.286 10.159 15.816 1.00 0.00 C ATOM 418 CE2 PHE A 397 5.330 10.778 14.668 1.00 0.00 C ATOM 419 CZ PHE A 397 4.344 11.056 15.622 1.00 0.00 C ATOM 0 H PHE A 397 4.615 5.244 12.295 1.00 0.00 H new ATOM 0 HA PHE A 397 5.533 6.501 14.620 1.00 0.00 H new ATOM 0 HB2 PHE A 397 4.762 7.533 12.400 1.00 0.00 H new ATOM 0 HB3 PHE A 397 3.112 7.278 12.933 1.00 0.00 H new ATOM 0 HD1 PHE A 397 2.398 8.292 15.206 1.00 0.00 H new ATOM 0 HD2 PHE A 397 6.019 9.391 13.172 1.00 0.00 H new ATOM 0 HE1 PHE A 397 2.525 10.373 16.552 1.00 0.00 H new ATOM 0 HE2 PHE A 397 6.147 11.469 14.518 1.00 0.00 H new ATOM 0 HZ PHE A 397 4.399 11.962 16.208 1.00 0.00 H new ATOM 429 N ILE A 398 2.441 5.328 14.796 1.00 0.00 N ATOM 430 CA ILE A 398 1.380 4.976 15.732 1.00 0.00 C ATOM 431 C ILE A 398 1.873 3.929 16.735 1.00 0.00 C ATOM 432 O ILE A 398 1.582 4.017 17.927 1.00 0.00 O ATOM 433 CB ILE A 398 0.151 4.453 14.975 1.00 0.00 C ATOM 434 CG1 ILE A 398 -0.464 5.594 14.161 1.00 0.00 C ATOM 435 CG2 ILE A 398 -0.885 3.933 15.974 1.00 0.00 C ATOM 436 CD1 ILE A 398 -1.498 5.025 13.186 1.00 0.00 C ATOM 0 H ILE A 398 2.259 5.062 13.828 1.00 0.00 H new ATOM 0 HA ILE A 398 1.095 5.873 16.282 1.00 0.00 H new ATOM 0 HB ILE A 398 0.453 3.644 14.309 1.00 0.00 H new ATOM 0 HG12 ILE A 398 -0.935 6.317 14.827 1.00 0.00 H new ATOM 0 HG13 ILE A 398 0.314 6.125 13.613 1.00 0.00 H new ATOM 0 HG21 ILE A 398 -1.757 3.562 15.435 1.00 0.00 H new ATOM 0 HG22 ILE A 398 -0.450 3.124 16.561 1.00 0.00 H new ATOM 0 HG23 ILE A 398 -1.187 4.742 16.639 1.00 0.00 H new ATOM 0 HD11 ILE A 398 -1.936 5.837 12.606 1.00 0.00 H new ATOM 0 HD12 ILE A 398 -1.013 4.319 12.512 1.00 0.00 H new ATOM 0 HD13 ILE A 398 -2.282 4.514 13.745 1.00 0.00 H new ATOM 448 N GLY A 399 2.614 2.936 16.243 1.00 0.00 N ATOM 449 CA GLY A 399 3.128 1.876 17.104 1.00 0.00 C ATOM 450 C GLY A 399 4.053 2.432 18.181 1.00 0.00 C ATOM 451 O GLY A 399 4.236 1.816 19.231 1.00 0.00 O ATOM 0 H GLY A 399 2.869 2.845 15.260 1.00 0.00 H new ATOM 0 HA2 GLY A 399 2.296 1.351 17.573 1.00 0.00 H new ATOM 0 HA3 GLY A 399 3.667 1.145 16.501 1.00 0.00 H new ATOM 455 N LEU A 400 4.640 3.594 17.915 1.00 0.00 N ATOM 456 CA LEU A 400 5.548 4.209 18.876 1.00 0.00 C ATOM 457 C LEU A 400 4.811 4.530 20.173 1.00 0.00 C ATOM 458 O LEU A 400 5.340 4.325 21.264 1.00 0.00 O ATOM 459 CB LEU A 400 6.151 5.492 18.286 1.00 0.00 C ATOM 460 CG LEU A 400 7.149 6.120 19.274 1.00 0.00 C ATOM 461 CD1 LEU A 400 8.306 5.146 19.560 1.00 0.00 C ATOM 462 CD2 LEU A 400 7.701 7.413 18.664 1.00 0.00 C ATOM 0 H LEU A 400 4.506 4.123 17.053 1.00 0.00 H new ATOM 0 HA LEU A 400 6.352 3.506 19.094 1.00 0.00 H new ATOM 0 HB2 LEU A 400 6.654 5.266 17.346 1.00 0.00 H new ATOM 0 HB3 LEU A 400 5.357 6.204 18.060 1.00 0.00 H new ATOM 0 HG LEU A 400 6.640 6.337 20.213 1.00 0.00 H new ATOM 0 HD11 LEU A 400 9.003 5.605 20.261 1.00 0.00 H new ATOM 0 HD12 LEU A 400 7.910 4.227 19.992 1.00 0.00 H new ATOM 0 HD13 LEU A 400 8.825 4.915 18.630 1.00 0.00 H new ATOM 0 HD21 LEU A 400 8.410 7.868 19.356 1.00 0.00 H new ATOM 0 HD22 LEU A 400 8.205 7.186 17.725 1.00 0.00 H new ATOM 0 HD23 LEU A 400 6.881 8.106 18.477 1.00 0.00 H new ATOM 474 N LYS A 401 3.588 5.036 20.047 1.00 0.00 N ATOM 475 CA LYS A 401 2.794 5.380 21.219 1.00 0.00 C ATOM 476 C LYS A 401 2.520 4.141 22.062 1.00 0.00 C ATOM 477 O LYS A 401 2.572 4.195 23.291 1.00 0.00 O ATOM 478 CB LYS A 401 1.468 6.013 20.790 1.00 0.00 C ATOM 479 CG LYS A 401 1.737 7.378 20.155 1.00 0.00 C ATOM 480 CD LYS A 401 0.412 8.006 19.717 1.00 0.00 C ATOM 481 CE LYS A 401 0.680 9.375 19.092 1.00 0.00 C ATOM 482 NZ LYS A 401 -0.609 9.983 18.659 1.00 0.00 N ATOM 0 H LYS A 401 3.130 5.215 19.154 1.00 0.00 H new ATOM 0 HA LYS A 401 3.358 6.096 21.817 1.00 0.00 H new ATOM 0 HB2 LYS A 401 0.956 5.364 20.080 1.00 0.00 H new ATOM 0 HB3 LYS A 401 0.810 6.124 21.652 1.00 0.00 H new ATOM 0 HG2 LYS A 401 2.243 8.029 20.868 1.00 0.00 H new ATOM 0 HG3 LYS A 401 2.401 7.268 19.297 1.00 0.00 H new ATOM 0 HD2 LYS A 401 -0.090 7.358 18.998 1.00 0.00 H new ATOM 0 HD3 LYS A 401 -0.255 8.109 20.573 1.00 0.00 H new ATOM 0 HE2 LYS A 401 1.177 10.025 19.812 1.00 0.00 H new ATOM 0 HE3 LYS A 401 1.351 9.272 18.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 -0.428 10.915 18.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 -1.066 9.365 17.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 -1.234 10.094 19.483 1.00 0.00 H new ATOM 496 N HIS A 402 2.228 3.028 21.397 1.00 0.00 N ATOM 497 CA HIS A 402 1.948 1.782 22.100 1.00 0.00 C ATOM 498 C HIS A 402 0.800 1.977 23.085 1.00 0.00 C ATOM 499 O HIS A 402 0.485 3.102 23.469 1.00 0.00 O ATOM 500 CB HIS A 402 3.197 1.312 22.851 1.00 0.00 C ATOM 501 CG HIS A 402 2.921 -0.014 23.505 1.00 0.00 C ATOM 502 ND1 HIS A 402 2.574 -0.120 24.843 1.00 0.00 N ATOM 503 CD2 HIS A 402 2.937 -1.298 23.020 1.00 0.00 C ATOM 504 CE1 HIS A 402 2.397 -1.427 25.113 1.00 0.00 C ATOM 505 NE2 HIS A 402 2.606 -2.188 24.036 1.00 0.00 N ATOM 0 H HIS A 402 2.179 2.963 20.380 1.00 0.00 H new ATOM 0 HA HIS A 402 1.663 1.026 21.368 1.00 0.00 H new ATOM 0 HB2 HIS A 402 4.036 1.221 22.161 1.00 0.00 H new ATOM 0 HB3 HIS A 402 3.480 2.048 23.603 1.00 0.00 H new ATOM 0 HD2 HIS A 402 3.171 -1.575 22.003 1.00 0.00 H new ATOM 0 HE1 HIS A 402 2.120 -1.813 26.083 1.00 0.00 H new ATOM 0 HE2 HIS A 402 2.538 -3.204 23.972 1.00 0.00 H new ATOM 514 N HIS A 403 0.178 0.872 23.490 1.00 0.00 N ATOM 515 CA HIS A 403 -0.940 0.923 24.434 1.00 0.00 C ATOM 516 C HIS A 403 -0.498 0.434 25.809 1.00 0.00 C ATOM 517 O HIS A 403 0.026 -0.671 25.946 1.00 0.00 O ATOM 518 CB HIS A 403 -2.084 0.045 23.926 1.00 0.00 C ATOM 519 CG HIS A 403 -2.636 0.630 22.654 1.00 0.00 C ATOM 520 ND1 HIS A 403 -2.050 0.398 21.419 1.00 0.00 N ATOM 521 CD2 HIS A 403 -3.717 1.440 22.410 1.00 0.00 C ATOM 522 CE1 HIS A 403 -2.776 1.057 20.496 1.00 0.00 C ATOM 523 NE2 HIS A 403 -3.804 1.708 21.046 1.00 0.00 N ATOM 0 H HIS A 403 0.427 -0.068 23.181 1.00 0.00 H new ATOM 0 HA HIS A 403 -1.279 1.956 24.518 1.00 0.00 H new ATOM 0 HB2 HIS A 403 -1.727 -0.969 23.748 1.00 0.00 H new ATOM 0 HB3 HIS A 403 -2.869 -0.021 24.680 1.00 0.00 H new ATOM 0 HD2 HIS A 403 -4.397 1.813 23.162 1.00 0.00 H new ATOM 0 HE1 HIS A 403 -2.554 1.059 19.439 1.00 0.00 H new ATOM 0 HE2 HIS A 403 -4.503 2.279 20.570 1.00 0.00 H new ATOM 532 N HIS A 404 -0.709 1.270 26.826 1.00 0.00 N ATOM 533 CA HIS A 404 -0.328 0.923 28.198 1.00 0.00 C ATOM 534 C HIS A 404 -1.561 0.566 29.020 1.00 0.00 C ATOM 535 O HIS A 404 -2.509 1.347 29.108 1.00 0.00 O ATOM 536 CB HIS A 404 0.390 2.105 28.849 1.00 0.00 C ATOM 537 CG HIS A 404 1.660 2.397 28.098 1.00 0.00 C ATOM 538 ND1 HIS A 404 2.756 1.550 28.141 1.00 0.00 N ATOM 539 CD2 HIS A 404 2.024 3.439 27.281 1.00 0.00 C ATOM 540 CE1 HIS A 404 3.718 2.091 27.372 1.00 0.00 C ATOM 541 NE2 HIS A 404 3.323 3.244 26.824 1.00 0.00 N ATOM 0 H HIS A 404 -1.140 2.189 26.728 1.00 0.00 H new ATOM 0 HA HIS A 404 0.338 0.061 28.166 1.00 0.00 H new ATOM 0 HB2 HIS A 404 -0.256 2.983 28.847 1.00 0.00 H new ATOM 0 HB3 HIS A 404 0.615 1.878 29.891 1.00 0.00 H new ATOM 0 HD2 HIS A 404 1.397 4.282 27.031 1.00 0.00 H new ATOM 0 HE1 HIS A 404 4.691 1.648 27.217 1.00 0.00 H new ATOM 0 HE2 HIS A 404 3.859 3.851 26.204 1.00 0.00 H new ATOM 550 N ALA A 405 -1.541 -0.619 29.621 1.00 0.00 N ATOM 551 CA ALA A 405 -2.661 -1.072 30.436 1.00 0.00 C ATOM 552 C ALA A 405 -2.627 -0.411 31.811 1.00 0.00 C ATOM 553 O ALA A 405 -3.593 -0.486 32.570 1.00 0.00 O ATOM 554 CB ALA A 405 -2.608 -2.592 30.595 1.00 0.00 C ATOM 0 H ALA A 405 -0.766 -1.279 29.560 1.00 0.00 H new ATOM 0 HA ALA A 405 -3.588 -0.791 29.936 1.00 0.00 H new ATOM 0 HB1 ALA A 405 -3.448 -2.924 31.205 1.00 0.00 H new ATOM 0 HB2 ALA A 405 -2.664 -3.063 29.613 1.00 0.00 H new ATOM 0 HB3 ALA A 405 -1.674 -2.875 31.080 1.00 0.00 H new ATOM 560 N GLY A 406 -1.508 0.233 32.125 1.00 0.00 N ATOM 561 CA GLY A 406 -1.357 0.902 33.412 1.00 0.00 C ATOM 562 C GLY A 406 -2.361 2.039 33.560 1.00 0.00 C ATOM 563 O GLY A 406 -2.912 2.257 34.639 1.00 0.00 O ATOM 0 H GLY A 406 -0.697 0.306 31.511 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -1.497 0.182 34.218 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -0.344 1.293 33.506 1.00 0.00 H new ATOM 567 N TYR A 407 -2.598 2.762 32.466 1.00 0.00 N ATOM 568 CA TYR A 407 -3.544 3.882 32.472 1.00 0.00 C ATOM 569 C TYR A 407 -4.789 3.527 31.669 1.00 0.00 C ATOM 570 O TYR A 407 -4.697 2.968 30.576 1.00 0.00 O ATOM 571 CB TYR A 407 -2.885 5.127 31.874 1.00 0.00 C ATOM 572 CG TYR A 407 -1.802 5.619 32.806 1.00 0.00 C ATOM 573 CD1 TYR A 407 -2.150 6.321 33.967 1.00 0.00 C ATOM 574 CD2 TYR A 407 -0.455 5.369 32.516 1.00 0.00 C ATOM 575 CE1 TYR A 407 -1.150 6.775 34.836 1.00 0.00 C ATOM 576 CE2 TYR A 407 0.544 5.823 33.386 1.00 0.00 C ATOM 577 CZ TYR A 407 0.196 6.525 34.547 1.00 0.00 C ATOM 578 OH TYR A 407 1.180 6.969 35.405 1.00 0.00 O ATOM 0 H TYR A 407 -2.150 2.594 31.565 1.00 0.00 H new ATOM 0 HA TYR A 407 -3.833 4.087 33.503 1.00 0.00 H new ATOM 0 HB2 TYR A 407 -2.461 4.894 30.897 1.00 0.00 H new ATOM 0 HB3 TYR A 407 -3.630 5.908 31.720 1.00 0.00 H new ATOM 0 HD1 TYR A 407 -3.189 6.512 34.192 1.00 0.00 H new ATOM 0 HD2 TYR A 407 -0.187 4.826 31.622 1.00 0.00 H new ATOM 0 HE1 TYR A 407 -1.418 7.319 35.730 1.00 0.00 H new ATOM 0 HE2 TYR A 407 1.583 5.632 33.162 1.00 0.00 H new ATOM 0 HH TYR A 407 2.059 6.711 35.057 1.00 0.00 H new ATOM 588 N GLU A 408 -5.956 3.861 32.217 1.00 0.00 N ATOM 589 CA GLU A 408 -7.232 3.581 31.547 1.00 0.00 C ATOM 590 C GLU A 408 -8.146 4.798 31.626 1.00 0.00 C ATOM 591 O GLU A 408 -8.117 5.547 32.602 1.00 0.00 O ATOM 592 CB GLU A 408 -7.920 2.370 32.191 1.00 0.00 C ATOM 593 CG GLU A 408 -7.218 1.074 31.760 1.00 0.00 C ATOM 594 CD GLU A 408 -7.856 -0.120 32.462 1.00 0.00 C ATOM 595 OE1 GLU A 408 -8.786 0.094 33.223 1.00 0.00 O ATOM 596 OE2 GLU A 408 -7.406 -1.229 32.227 1.00 0.00 O ATOM 0 H GLU A 408 -6.048 4.325 33.121 1.00 0.00 H new ATOM 0 HA GLU A 408 -7.030 3.355 30.500 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -7.895 2.463 33.277 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -8.969 2.339 31.898 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -7.291 0.953 30.679 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -6.157 1.126 32.004 1.00 0.00 H new ATOM 603 N GLN A 409 -8.957 4.991 30.586 1.00 0.00 N ATOM 604 CA GLN A 409 -9.882 6.125 30.534 1.00 0.00 C ATOM 605 C GLN A 409 -11.285 5.647 30.172 1.00 0.00 C ATOM 606 O GLN A 409 -11.476 4.948 29.175 1.00 0.00 O ATOM 607 CB GLN A 409 -9.401 7.143 29.488 1.00 0.00 C ATOM 608 CG GLN A 409 -7.917 7.476 29.708 1.00 0.00 C ATOM 609 CD GLN A 409 -7.690 7.908 31.154 1.00 0.00 C ATOM 610 OE1 GLN A 409 -8.445 8.723 31.684 1.00 0.00 O ATOM 611 NE2 GLN A 409 -6.690 7.405 31.826 1.00 0.00 N ATOM 0 H GLN A 409 -8.993 4.380 29.770 1.00 0.00 H new ATOM 0 HA GLN A 409 -9.910 6.598 31.516 1.00 0.00 H new ATOM 0 HB2 GLN A 409 -9.545 6.740 28.486 1.00 0.00 H new ATOM 0 HB3 GLN A 409 -9.998 8.052 29.555 1.00 0.00 H new ATOM 0 HG2 GLN A 409 -7.302 6.606 29.479 1.00 0.00 H new ATOM 0 HG3 GLN A 409 -7.609 8.271 29.029 1.00 0.00 H new ATOM 0 HE21 GLN A 409 -6.066 6.730 31.384 1.00 0.00 H new ATOM 0 HE22 GLN A 409 -6.532 7.687 32.793 1.00 0.00 H new ATOM 620 N PHE A 410 -12.263 6.030 30.986 1.00 0.00 N ATOM 621 CA PHE A 410 -13.647 5.640 30.746 1.00 0.00 C ATOM 622 C PHE A 410 -13.736 4.149 30.429 1.00 0.00 C ATOM 623 O PHE A 410 -13.057 3.382 31.091 1.00 0.00 O ATOM 624 CB PHE A 410 -14.220 6.446 29.580 1.00 0.00 C ATOM 625 CG PHE A 410 -14.265 7.908 29.956 1.00 0.00 C ATOM 626 CD1 PHE A 410 -15.374 8.423 30.638 1.00 0.00 C ATOM 627 CD2 PHE A 410 -13.196 8.748 29.623 1.00 0.00 C ATOM 628 CE1 PHE A 410 -15.414 9.779 30.987 1.00 0.00 C ATOM 629 CE2 PHE A 410 -13.236 10.103 29.971 1.00 0.00 C ATOM 630 CZ PHE A 410 -14.344 10.619 30.654 1.00 0.00 C ATOM 631 OXT PHE A 410 -14.484 3.798 29.531 1.00 0.00 O ATOM 0 H PHE A 410 -12.123 6.608 31.815 1.00 0.00 H new ATOM 0 HA PHE A 410 -14.225 5.843 31.648 1.00 0.00 H new ATOM 0 HB2 PHE A 410 -13.606 6.307 28.690 1.00 0.00 H new ATOM 0 HB3 PHE A 410 -15.221 6.091 29.335 1.00 0.00 H new ATOM 0 HD1 PHE A 410 -16.199 7.775 30.895 1.00 0.00 H new ATOM 0 HD2 PHE A 410 -12.340 8.350 29.098 1.00 0.00 H new ATOM 0 HE1 PHE A 410 -16.270 10.177 31.513 1.00 0.00 H new ATOM 0 HE2 PHE A 410 -12.412 10.751 29.713 1.00 0.00 H new ATOM 0 HZ PHE A 410 -14.374 11.664 30.924 1.00 0.00 H new TER 641 PHE A 410