USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=4 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 Single : A 369 SER OG : rot 47:sc= 0.57 USER MOD Single : A 374 ASN : amide:sc= -0.725 K(o=-0.73,f=-5.5!) 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 402 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 403 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-2.1) USER MOD Single : A 404 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 409 GLN : amide:sc= -0.0547 K(o=-0.055,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 369 19.483 14.660 -27.144 1.00 0.00 N ATOM 2 CA SER A 369 18.153 14.282 -27.700 1.00 0.00 C ATOM 3 C SER A 369 18.236 12.884 -28.301 1.00 0.00 C ATOM 4 O SER A 369 18.760 12.701 -29.399 1.00 0.00 O ATOM 5 CB SER A 369 17.749 15.288 -28.778 1.00 0.00 C ATOM 6 OG SER A 369 16.588 14.816 -29.449 1.00 0.00 O ATOM 0 HA SER A 369 17.407 14.288 -26.906 1.00 0.00 H new ATOM 0 HB2 SER A 369 17.553 16.261 -28.328 1.00 0.00 H new ATOM 0 HB3 SER A 369 18.564 15.424 -29.489 1.00 0.00 H new ATOM 0 HG SER A 369 15.928 14.518 -28.789 1.00 0.00 H new ATOM 14 N ALA A 370 17.715 11.900 -27.575 1.00 0.00 N ATOM 15 CA ALA A 370 17.735 10.517 -28.046 1.00 0.00 C ATOM 16 C ALA A 370 16.601 9.720 -27.413 1.00 0.00 C ATOM 17 O ALA A 370 16.152 10.031 -26.309 1.00 0.00 O ATOM 18 CB ALA A 370 19.076 9.867 -27.696 1.00 0.00 C ATOM 0 H ALA A 370 17.276 12.032 -26.664 1.00 0.00 H new ATOM 0 HA ALA A 370 17.603 10.518 -29.128 1.00 0.00 H new ATOM 0 HB1 ALA A 370 19.084 8.836 -28.050 1.00 0.00 H new ATOM 0 HB2 ALA A 370 19.884 10.421 -28.173 1.00 0.00 H new ATOM 0 HB3 ALA A 370 19.216 9.881 -26.615 1.00 0.00 H new ATOM 24 N ASP A 371 16.141 8.692 -28.119 1.00 0.00 N ATOM 25 CA ASP A 371 15.058 7.855 -27.615 1.00 0.00 C ATOM 26 C ASP A 371 13.843 8.707 -27.264 1.00 0.00 C ATOM 27 O ASP A 371 13.130 8.421 -26.302 1.00 0.00 O ATOM 28 CB ASP A 371 15.524 7.084 -26.378 1.00 0.00 C ATOM 29 CG ASP A 371 16.483 5.969 -26.784 1.00 0.00 C ATOM 30 OD1 ASP A 371 16.510 5.632 -27.957 1.00 0.00 O ATOM 31 OD2 ASP A 371 17.179 5.468 -25.916 1.00 0.00 O ATOM 0 H ASP A 371 16.498 8.420 -29.035 1.00 0.00 H new ATOM 0 HA ASP A 371 14.776 7.147 -28.395 1.00 0.00 H new ATOM 0 HB2 ASP A 371 16.017 7.762 -25.682 1.00 0.00 H new ATOM 0 HB3 ASP A 371 14.664 6.663 -25.857 1.00 0.00 H new ATOM 36 N ASP A 372 13.612 9.754 -28.048 1.00 0.00 N ATOM 37 CA ASP A 372 12.479 10.639 -27.809 1.00 0.00 C ATOM 38 C ASP A 372 11.166 9.926 -28.117 1.00 0.00 C ATOM 39 O ASP A 372 10.101 10.340 -27.658 1.00 0.00 O ATOM 40 CB ASP A 372 12.599 11.889 -28.682 1.00 0.00 C ATOM 41 CG ASP A 372 13.731 12.775 -28.172 1.00 0.00 C ATOM 42 OD1 ASP A 372 14.178 12.550 -27.059 1.00 0.00 O ATOM 43 OD2 ASP A 372 14.135 13.665 -28.902 1.00 0.00 O ATOM 0 H ASP A 372 14.190 10.009 -28.849 1.00 0.00 H new ATOM 0 HA ASP A 372 12.484 10.928 -26.758 1.00 0.00 H new ATOM 0 HB2 ASP A 372 12.788 11.603 -29.717 1.00 0.00 H new ATOM 0 HB3 ASP A 372 11.660 12.442 -28.671 1.00 0.00 H new ATOM 48 N ASP A 373 11.250 8.852 -28.895 1.00 0.00 N ATOM 49 CA ASP A 373 10.062 8.088 -29.258 1.00 0.00 C ATOM 50 C ASP A 373 9.403 7.504 -28.014 1.00 0.00 C ATOM 51 O ASP A 373 8.178 7.499 -27.895 1.00 0.00 O ATOM 52 CB ASP A 373 10.438 6.959 -30.218 1.00 0.00 C ATOM 53 CG ASP A 373 10.779 7.531 -31.589 1.00 0.00 C ATOM 54 OD1 ASP A 373 10.542 8.710 -31.792 1.00 0.00 O ATOM 55 OD2 ASP A 373 11.270 6.781 -32.417 1.00 0.00 O ATOM 0 H ASP A 373 12.122 8.493 -29.284 1.00 0.00 H new ATOM 0 HA ASP A 373 9.357 8.759 -29.749 1.00 0.00 H new ATOM 0 HB2 ASP A 373 11.290 6.405 -29.824 1.00 0.00 H new ATOM 0 HB3 ASP A 373 9.611 6.254 -30.305 1.00 0.00 H new ATOM 60 N ASN A 374 10.222 7.014 -27.090 1.00 0.00 N ATOM 61 CA ASN A 374 9.709 6.429 -25.854 1.00 0.00 C ATOM 62 C ASN A 374 10.747 6.538 -24.744 1.00 0.00 C ATOM 63 O ASN A 374 11.914 6.829 -25.003 1.00 0.00 O ATOM 64 CB ASN A 374 9.352 4.960 -26.083 1.00 0.00 C ATOM 65 CG ASN A 374 10.599 4.175 -26.475 1.00 0.00 C ATOM 66 OD1 ASN A 374 11.623 4.765 -26.819 1.00 0.00 O ATOM 67 ND2 ASN A 374 10.576 2.871 -26.442 1.00 0.00 N ATOM 0 H ASN A 374 11.239 7.009 -27.171 1.00 0.00 H new ATOM 0 HA ASN A 374 8.815 6.976 -25.555 1.00 0.00 H new ATOM 0 HB2 ASN A 374 8.916 4.538 -25.178 1.00 0.00 H new ATOM 0 HB3 ASN A 374 8.599 4.878 -26.867 1.00 0.00 H new ATOM 0 HD21 ASN A 374 11.407 2.340 -26.701 1.00 0.00 H new ATOM 0 HD22 ASN A 374 9.727 2.383 -26.157 1.00 0.00 H new ATOM 74 N PHE A 375 10.316 6.302 -23.506 1.00 0.00 N ATOM 75 CA PHE A 375 11.215 6.376 -22.357 1.00 0.00 C ATOM 76 C PHE A 375 10.964 5.205 -21.411 1.00 0.00 C ATOM 77 O PHE A 375 9.904 5.110 -20.793 1.00 0.00 O ATOM 78 CB PHE A 375 10.997 7.692 -21.612 1.00 0.00 C ATOM 79 CG PHE A 375 11.946 7.766 -20.440 1.00 0.00 C ATOM 80 CD1 PHE A 375 13.317 7.945 -20.661 1.00 0.00 C ATOM 81 CD2 PHE A 375 11.458 7.653 -19.132 1.00 0.00 C ATOM 82 CE1 PHE A 375 14.199 8.012 -19.576 1.00 0.00 C ATOM 83 CE2 PHE A 375 12.340 7.721 -18.047 1.00 0.00 C ATOM 84 CZ PHE A 375 13.711 7.901 -18.269 1.00 0.00 C ATOM 0 H PHE A 375 9.353 6.059 -23.274 1.00 0.00 H new ATOM 0 HA PHE A 375 12.243 6.328 -22.715 1.00 0.00 H new ATOM 0 HB2 PHE A 375 11.163 8.535 -22.283 1.00 0.00 H new ATOM 0 HB3 PHE A 375 9.966 7.760 -21.265 1.00 0.00 H new ATOM 0 HD1 PHE A 375 13.694 8.031 -21.669 1.00 0.00 H new ATOM 0 HD2 PHE A 375 10.401 7.513 -18.960 1.00 0.00 H new ATOM 0 HE1 PHE A 375 15.256 8.149 -19.748 1.00 0.00 H new ATOM 0 HE2 PHE A 375 11.963 7.635 -17.039 1.00 0.00 H new ATOM 0 HZ PHE A 375 14.391 7.954 -17.432 1.00 0.00 H new ATOM 94 N LEU A 376 11.945 4.318 -21.305 1.00 0.00 N ATOM 95 CA LEU A 376 11.826 3.154 -20.434 1.00 0.00 C ATOM 96 C LEU A 376 12.090 3.547 -18.984 1.00 0.00 C ATOM 97 O LEU A 376 12.891 4.440 -18.709 1.00 0.00 O ATOM 98 CB LEU A 376 12.825 2.072 -20.865 1.00 0.00 C ATOM 99 CG LEU A 376 12.299 1.353 -22.108 1.00 0.00 C ATOM 100 CD1 LEU A 376 12.116 2.362 -23.249 1.00 0.00 C ATOM 101 CD2 LEU A 376 13.298 0.273 -22.529 1.00 0.00 C ATOM 0 H LEU A 376 12.829 4.381 -21.809 1.00 0.00 H new ATOM 0 HA LEU A 376 10.812 2.762 -20.515 1.00 0.00 H new ATOM 0 HB2 LEU A 376 13.795 2.522 -21.076 1.00 0.00 H new ATOM 0 HB3 LEU A 376 12.974 1.358 -20.055 1.00 0.00 H new ATOM 0 HG LEU A 376 11.338 0.891 -21.882 1.00 0.00 H new ATOM 0 HD11 LEU A 376 11.741 1.847 -24.133 1.00 0.00 H new ATOM 0 HD12 LEU A 376 11.403 3.129 -22.946 1.00 0.00 H new ATOM 0 HD13 LEU A 376 13.074 2.828 -23.479 1.00 0.00 H new ATOM 0 HD21 LEU A 376 12.926 -0.241 -23.415 1.00 0.00 H new ATOM 0 HD22 LEU A 376 14.259 0.735 -22.754 1.00 0.00 H new ATOM 0 HD23 LEU A 376 13.421 -0.445 -21.718 1.00 0.00 H new ATOM 113 N VAL A 377 11.408 2.875 -18.064 1.00 0.00 N ATOM 114 CA VAL A 377 11.573 3.160 -16.643 1.00 0.00 C ATOM 115 C VAL A 377 11.174 4.600 -16.338 1.00 0.00 C ATOM 116 O VAL A 377 12.031 5.454 -16.111 1.00 0.00 O ATOM 117 CB VAL A 377 13.027 2.930 -16.228 1.00 0.00 C ATOM 118 CG1 VAL A 377 13.121 2.878 -14.702 1.00 0.00 C ATOM 119 CG2 VAL A 377 13.518 1.605 -16.814 1.00 0.00 C ATOM 0 H VAL A 377 10.740 2.134 -18.274 1.00 0.00 H new ATOM 0 HA VAL A 377 10.926 2.488 -16.078 1.00 0.00 H new ATOM 0 HB VAL A 377 13.646 3.746 -16.601 1.00 0.00 H new ATOM 0 HG11 VAL A 377 14.157 2.714 -14.407 1.00 0.00 H new ATOM 0 HG12 VAL A 377 12.769 3.821 -14.283 1.00 0.00 H new ATOM 0 HG13 VAL A 377 12.503 2.062 -14.327 1.00 0.00 H new ATOM 0 HG21 VAL A 377 14.554 1.439 -16.520 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.899 0.790 -16.439 1.00 0.00 H new ATOM 0 HG23 VAL A 377 13.451 1.641 -17.901 1.00 0.00 H new ATOM 129 N PRO A 378 9.897 4.874 -16.333 1.00 0.00 N ATOM 130 CA PRO A 378 9.361 6.239 -16.051 1.00 0.00 C ATOM 131 C PRO A 378 9.780 6.746 -14.671 1.00 0.00 C ATOM 132 O PRO A 378 9.899 5.970 -13.726 1.00 0.00 O ATOM 133 CB PRO A 378 7.830 6.058 -16.139 1.00 0.00 C ATOM 134 CG PRO A 378 7.629 4.806 -16.933 1.00 0.00 C ATOM 135 CD PRO A 378 8.820 3.912 -16.606 1.00 0.00 C ATOM 0 HA PRO A 378 9.742 6.983 -16.750 1.00 0.00 H new ATOM 0 HB2 PRO A 378 7.386 5.971 -15.147 1.00 0.00 H new ATOM 0 HB3 PRO A 378 7.360 6.913 -16.625 1.00 0.00 H new ATOM 0 HG2 PRO A 378 6.690 4.320 -16.666 1.00 0.00 H new ATOM 0 HG3 PRO A 378 7.584 5.023 -18.000 1.00 0.00 H new ATOM 0 HD2 PRO A 378 8.621 3.275 -15.744 1.00 0.00 H new ATOM 0 HD3 PRO A 378 9.070 3.253 -17.438 1.00 0.00 H new ATOM 143 N ILE A 379 10.000 8.050 -14.570 1.00 0.00 N ATOM 144 CA ILE A 379 10.401 8.651 -13.303 1.00 0.00 C ATOM 145 C ILE A 379 9.291 8.495 -12.265 1.00 0.00 C ATOM 146 O ILE A 379 9.554 8.174 -11.105 1.00 0.00 O ATOM 147 CB ILE A 379 10.712 10.135 -13.503 1.00 0.00 C ATOM 148 CG1 ILE A 379 11.959 10.275 -14.379 1.00 0.00 C ATOM 149 CG2 ILE A 379 10.972 10.791 -12.142 1.00 0.00 C ATOM 150 CD1 ILE A 379 12.110 11.730 -14.826 1.00 0.00 C ATOM 0 H ILE A 379 9.909 8.709 -15.343 1.00 0.00 H new ATOM 0 HA ILE A 379 11.295 8.140 -12.945 1.00 0.00 H new ATOM 0 HB ILE A 379 9.866 10.623 -13.986 1.00 0.00 H new ATOM 0 HG12 ILE A 379 12.843 9.961 -13.824 1.00 0.00 H new ATOM 0 HG13 ILE A 379 11.880 9.623 -15.249 1.00 0.00 H new ATOM 0 HG21 ILE A 379 11.194 11.849 -12.284 1.00 0.00 H new ATOM 0 HG22 ILE A 379 10.088 10.687 -11.513 1.00 0.00 H new ATOM 0 HG23 ILE A 379 11.820 10.304 -11.660 1.00 0.00 H new ATOM 0 HD11 ILE A 379 12.998 11.829 -15.450 1.00 0.00 H new ATOM 0 HD12 ILE A 379 11.231 12.028 -15.397 1.00 0.00 H new ATOM 0 HD13 ILE A 379 12.209 12.371 -13.950 1.00 0.00 H new ATOM 162 N ALA A 380 8.052 8.730 -12.690 1.00 0.00 N ATOM 163 CA ALA A 380 6.906 8.617 -11.793 1.00 0.00 C ATOM 164 C ALA A 380 7.035 7.375 -10.910 1.00 0.00 C ATOM 165 O ALA A 380 6.398 7.280 -9.860 1.00 0.00 O ATOM 166 CB ALA A 380 5.594 8.558 -12.600 1.00 0.00 C ATOM 0 H ALA A 380 7.817 8.999 -13.645 1.00 0.00 H new ATOM 0 HA ALA A 380 6.885 9.499 -11.153 1.00 0.00 H new ATOM 0 HB1 ALA A 380 4.750 8.474 -11.916 1.00 0.00 H new ATOM 0 HB2 ALA A 380 5.491 9.466 -13.194 1.00 0.00 H new ATOM 0 HB3 ALA A 380 5.613 7.692 -13.262 1.00 0.00 H new ATOM 172 N VAL A 381 7.860 6.427 -11.344 1.00 0.00 N ATOM 173 CA VAL A 381 8.059 5.199 -10.592 1.00 0.00 C ATOM 174 C VAL A 381 8.752 5.488 -9.265 1.00 0.00 C ATOM 175 O VAL A 381 8.380 4.937 -8.230 1.00 0.00 O ATOM 176 CB VAL A 381 8.889 4.205 -11.419 1.00 0.00 C ATOM 177 CG1 VAL A 381 9.295 3.018 -10.541 1.00 0.00 C ATOM 178 CG2 VAL A 381 8.060 3.694 -12.607 1.00 0.00 C ATOM 0 H VAL A 381 8.398 6.488 -12.209 1.00 0.00 H new ATOM 0 HA VAL A 381 7.084 4.759 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 381 9.781 4.710 -11.789 1.00 0.00 H new ATOM 0 HG11 VAL A 381 9.884 2.314 -11.130 1.00 0.00 H new ATOM 0 HG12 VAL A 381 9.890 3.374 -9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 381 8.401 2.519 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 381 8.654 2.990 -13.189 1.00 0.00 H new ATOM 0 HG22 VAL A 381 7.164 3.195 -12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 381 7.772 4.535 -13.238 1.00 0.00 H new ATOM 188 N GLY A 382 9.761 6.350 -9.306 1.00 0.00 N ATOM 189 CA GLY A 382 10.502 6.693 -8.104 1.00 0.00 C ATOM 190 C GLY A 382 9.585 7.302 -7.052 1.00 0.00 C ATOM 191 O GLY A 382 9.700 7.000 -5.864 1.00 0.00 O ATOM 0 H GLY A 382 10.081 6.820 -10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 382 10.981 5.801 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 382 11.296 7.398 -8.351 1.00 0.00 H new ATOM 195 N ALA A 383 8.673 8.158 -7.498 1.00 0.00 N ATOM 196 CA ALA A 383 7.735 8.802 -6.587 1.00 0.00 C ATOM 197 C ALA A 383 6.784 7.776 -5.980 1.00 0.00 C ATOM 198 O ALA A 383 6.400 7.885 -4.815 1.00 0.00 O ATOM 199 CB ALA A 383 6.933 9.871 -7.331 1.00 0.00 C ATOM 0 H ALA A 383 8.563 8.421 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 383 8.303 9.270 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 383 6.235 10.347 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.613 10.621 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 383 6.379 9.408 -8.147 1.00 0.00 H new ATOM 205 N ALA A 384 6.402 6.784 -6.777 1.00 0.00 N ATOM 206 CA ALA A 384 5.490 5.749 -6.307 1.00 0.00 C ATOM 207 C ALA A 384 6.112 4.969 -5.155 1.00 0.00 C ATOM 208 O ALA A 384 5.470 4.720 -4.135 1.00 0.00 O ATOM 209 CB ALA A 384 5.155 4.791 -7.454 1.00 0.00 C ATOM 0 H ALA A 384 6.707 6.675 -7.744 1.00 0.00 H new ATOM 0 HA ALA A 384 4.577 6.228 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 384 4.473 4.020 -7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 384 4.683 5.345 -8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 384 6.071 4.325 -7.818 1.00 0.00 H new ATOM 215 N LEU A 385 7.370 4.590 -5.323 1.00 0.00 N ATOM 216 CA LEU A 385 8.076 3.839 -4.284 1.00 0.00 C ATOM 217 C LEU A 385 8.257 4.687 -3.035 1.00 0.00 C ATOM 218 O LEU A 385 8.092 4.205 -1.913 1.00 0.00 O ATOM 219 CB LEU A 385 9.443 3.365 -4.812 1.00 0.00 C ATOM 220 CG LEU A 385 9.313 1.976 -5.486 1.00 0.00 C ATOM 221 CD1 LEU A 385 10.405 1.811 -6.543 1.00 0.00 C ATOM 222 CD2 LEU A 385 9.466 0.884 -4.421 1.00 0.00 C ATOM 0 H LEU A 385 7.922 4.785 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 385 7.477 2.967 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 385 9.833 4.088 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 385 10.158 3.312 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 385 8.336 1.893 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 385 10.310 0.833 -7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 385 10.301 2.590 -7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 385 11.384 1.893 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 385 9.375 -0.096 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 385 10.444 0.971 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 385 8.687 0.999 -3.667 1.00 0.00 H new ATOM 234 N ALA A 386 8.601 5.948 -3.235 1.00 0.00 N ATOM 235 CA ALA A 386 8.810 6.852 -2.118 1.00 0.00 C ATOM 236 C ALA A 386 7.517 7.037 -1.334 1.00 0.00 C ATOM 237 O ALA A 386 7.531 7.121 -0.106 1.00 0.00 O ATOM 238 CB ALA A 386 9.300 8.208 -2.630 1.00 0.00 C ATOM 0 H ALA A 386 8.741 6.367 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 386 9.563 6.421 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 386 9.455 8.881 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 386 10.240 8.076 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 386 8.555 8.634 -3.302 1.00 0.00 H new ATOM 244 N GLY A 387 6.400 7.097 -2.052 1.00 0.00 N ATOM 245 CA GLY A 387 5.100 7.272 -1.413 1.00 0.00 C ATOM 246 C GLY A 387 4.786 6.103 -0.486 1.00 0.00 C ATOM 247 O GLY A 387 4.248 6.289 0.605 1.00 0.00 O ATOM 0 H GLY A 387 6.368 7.028 -3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 387 5.092 8.203 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 387 4.325 7.356 -2.174 1.00 0.00 H new ATOM 251 N VAL A 388 5.129 4.899 -0.928 1.00 0.00 N ATOM 252 CA VAL A 388 4.881 3.703 -0.132 1.00 0.00 C ATOM 253 C VAL A 388 5.694 3.743 1.158 1.00 0.00 C ATOM 254 O VAL A 388 5.202 3.374 2.225 1.00 0.00 O ATOM 255 CB VAL A 388 5.247 2.450 -0.931 1.00 0.00 C ATOM 256 CG1 VAL A 388 5.048 1.209 -0.057 1.00 0.00 C ATOM 257 CG2 VAL A 388 4.345 2.356 -2.165 1.00 0.00 C ATOM 0 H VAL A 388 5.577 4.725 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 388 3.821 3.672 0.118 1.00 0.00 H new ATOM 0 HB VAL A 388 6.290 2.508 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 388 5.309 0.317 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.688 1.277 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 388 4.006 1.148 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 388 4.603 1.465 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 388 3.303 2.297 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 388 4.486 3.240 -2.787 1.00 0.00 H new ATOM 267 N LEU A 389 6.942 4.181 1.049 1.00 0.00 N ATOM 268 CA LEU A 389 7.815 4.247 2.210 1.00 0.00 C ATOM 269 C LEU A 389 7.211 5.175 3.269 1.00 0.00 C ATOM 270 O LEU A 389 7.290 4.907 4.468 1.00 0.00 O ATOM 271 CB LEU A 389 9.214 4.756 1.785 1.00 0.00 C ATOM 272 CG LEU A 389 10.294 4.109 2.657 1.00 0.00 C ATOM 273 CD1 LEU A 389 11.663 4.660 2.262 1.00 0.00 C ATOM 274 CD2 LEU A 389 10.018 4.406 4.138 1.00 0.00 C ATOM 0 H LEU A 389 7.368 4.493 0.176 1.00 0.00 H new ATOM 0 HA LEU A 389 7.917 3.250 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 389 9.393 4.520 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 389 9.260 5.841 1.880 1.00 0.00 H new ATOM 0 HG LEU A 389 10.282 3.030 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 389 12.433 4.200 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 389 11.858 4.433 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 389 11.676 5.740 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 389 10.790 3.943 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 389 10.024 5.484 4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 389 9.044 4.003 4.415 1.00 0.00 H new ATOM 286 N ILE A 390 6.607 6.264 2.816 1.00 0.00 N ATOM 287 CA ILE A 390 5.998 7.218 3.732 1.00 0.00 C ATOM 288 C ILE A 390 4.845 6.572 4.480 1.00 0.00 C ATOM 289 O ILE A 390 4.687 6.767 5.684 1.00 0.00 O ATOM 290 CB ILE A 390 5.505 8.446 2.962 1.00 0.00 C ATOM 291 CG1 ILE A 390 6.712 9.214 2.394 1.00 0.00 C ATOM 292 CG2 ILE A 390 4.709 9.364 3.892 1.00 0.00 C ATOM 293 CD1 ILE A 390 7.631 9.742 3.523 1.00 0.00 C ATOM 0 H ILE A 390 6.526 6.508 1.829 1.00 0.00 H new ATOM 0 HA ILE A 390 6.749 7.533 4.456 1.00 0.00 H new ATOM 0 HB ILE A 390 4.860 8.119 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 390 7.283 8.560 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 390 6.361 10.050 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 390 4.363 10.235 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 390 3.851 8.823 4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 390 5.346 9.689 4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 390 8.473 10.279 3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 390 7.066 10.416 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 390 8.002 8.903 4.112 1.00 0.00 H new ATOM 305 N LEU A 391 4.041 5.810 3.759 1.00 0.00 N ATOM 306 CA LEU A 391 2.896 5.148 4.362 1.00 0.00 C ATOM 307 C LEU A 391 3.347 4.182 5.450 1.00 0.00 C ATOM 308 O LEU A 391 2.723 4.083 6.506 1.00 0.00 O ATOM 309 CB LEU A 391 2.116 4.390 3.283 1.00 0.00 C ATOM 310 CG LEU A 391 1.224 5.372 2.490 1.00 0.00 C ATOM 311 CD1 LEU A 391 0.981 4.824 1.082 1.00 0.00 C ATOM 312 CD2 LEU A 391 -0.125 5.534 3.203 1.00 0.00 C ATOM 0 H LEU A 391 4.158 5.635 2.761 1.00 0.00 H new ATOM 0 HA LEU A 391 2.253 5.902 4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 391 2.808 3.887 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 391 1.501 3.616 3.743 1.00 0.00 H new ATOM 0 HG LEU A 391 1.725 6.338 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 391 0.352 5.518 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 391 1.935 4.706 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 391 0.483 3.857 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -0.752 6.227 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -0.621 4.566 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 391 0.039 5.925 4.207 1.00 0.00 H new ATOM 324 N VAL A 392 4.431 3.472 5.181 1.00 0.00 N ATOM 325 CA VAL A 392 4.961 2.512 6.137 1.00 0.00 C ATOM 326 C VAL A 392 5.403 3.219 7.412 1.00 0.00 C ATOM 327 O VAL A 392 5.190 2.722 8.517 1.00 0.00 O ATOM 328 CB VAL A 392 6.147 1.759 5.529 1.00 0.00 C ATOM 329 CG1 VAL A 392 6.770 0.847 6.587 1.00 0.00 C ATOM 330 CG2 VAL A 392 5.659 0.915 4.351 1.00 0.00 C ATOM 0 H VAL A 392 4.960 3.542 4.312 1.00 0.00 H new ATOM 0 HA VAL A 392 4.172 1.800 6.382 1.00 0.00 H new ATOM 0 HB VAL A 392 6.894 2.473 5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.614 0.311 6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 392 7.115 1.448 7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 392 6.025 0.131 6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 392 6.501 0.377 3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 392 4.913 0.201 4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 392 5.214 1.565 3.597 1.00 0.00 H new ATOM 340 N LEU A 393 6.028 4.374 7.252 1.00 0.00 N ATOM 341 CA LEU A 393 6.510 5.133 8.404 1.00 0.00 C ATOM 342 C LEU A 393 5.356 5.527 9.311 1.00 0.00 C ATOM 343 O LEU A 393 5.466 5.462 10.535 1.00 0.00 O ATOM 344 CB LEU A 393 7.248 6.397 7.923 1.00 0.00 C ATOM 345 CG LEU A 393 8.740 6.084 7.661 1.00 0.00 C ATOM 346 CD1 LEU A 393 9.297 7.051 6.614 1.00 0.00 C ATOM 347 CD2 LEU A 393 9.527 6.244 8.967 1.00 0.00 C ATOM 0 H LEU A 393 6.214 4.807 6.347 1.00 0.00 H new ATOM 0 HA LEU A 393 7.196 4.503 8.970 1.00 0.00 H new ATOM 0 HB2 LEU A 393 6.783 6.772 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 393 7.161 7.184 8.672 1.00 0.00 H new ATOM 0 HG LEU A 393 8.835 5.062 7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 393 10.348 6.826 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.738 6.943 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 393 9.202 8.074 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 393 10.579 6.024 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 393 9.427 7.267 9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 393 9.135 5.554 9.715 1.00 0.00 H new ATOM 359 N LEU A 394 4.260 5.939 8.712 1.00 0.00 N ATOM 360 CA LEU A 394 3.106 6.343 9.488 1.00 0.00 C ATOM 361 C LEU A 394 2.579 5.175 10.315 1.00 0.00 C ATOM 362 O LEU A 394 2.229 5.337 11.482 1.00 0.00 O ATOM 363 CB LEU A 394 2.010 6.840 8.551 1.00 0.00 C ATOM 364 CG LEU A 394 0.765 7.287 9.364 1.00 0.00 C ATOM 365 CD1 LEU A 394 0.204 8.592 8.790 1.00 0.00 C ATOM 366 CD2 LEU A 394 -0.327 6.200 9.309 1.00 0.00 C ATOM 0 H LEU A 394 4.143 6.003 7.701 1.00 0.00 H new ATOM 0 HA LEU A 394 3.404 7.144 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 394 2.382 7.674 7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 394 1.732 6.049 7.854 1.00 0.00 H new ATOM 0 HG LEU A 394 1.067 7.443 10.399 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -0.669 8.898 9.367 1.00 0.00 H new ATOM 0 HD12 LEU A 394 0.965 9.370 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -0.084 8.438 7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -1.194 6.526 9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -0.620 6.031 8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 394 0.061 5.273 9.732 1.00 0.00 H new ATOM 378 N ALA A 395 2.525 3.996 9.702 1.00 0.00 N ATOM 379 CA ALA A 395 2.037 2.810 10.396 1.00 0.00 C ATOM 380 C ALA A 395 2.845 2.571 11.668 1.00 0.00 C ATOM 381 O ALA A 395 2.284 2.380 12.747 1.00 0.00 O ATOM 382 CB ALA A 395 2.153 1.590 9.477 1.00 0.00 C ATOM 0 H ALA A 395 2.810 3.837 8.736 1.00 0.00 H new ATOM 0 HA ALA A 395 0.992 2.965 10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 395 1.788 0.705 9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 395 1.558 1.753 8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 395 3.196 1.442 9.199 1.00 0.00 H new ATOM 388 N TYR A 396 4.166 2.594 11.532 1.00 0.00 N ATOM 389 CA TYR A 396 5.047 2.390 12.674 1.00 0.00 C ATOM 390 C TYR A 396 4.886 3.526 13.681 1.00 0.00 C ATOM 391 O TYR A 396 4.989 3.317 14.889 1.00 0.00 O ATOM 392 CB TYR A 396 6.504 2.313 12.212 1.00 0.00 C ATOM 393 CG TYR A 396 7.405 2.141 13.412 1.00 0.00 C ATOM 394 CD1 TYR A 396 7.530 0.885 14.020 1.00 0.00 C ATOM 395 CD2 TYR A 396 8.116 3.237 13.919 1.00 0.00 C ATOM 396 CE1 TYR A 396 8.366 0.726 15.132 1.00 0.00 C ATOM 397 CE2 TYR A 396 8.952 3.076 15.030 1.00 0.00 C ATOM 398 CZ TYR A 396 9.078 1.820 15.637 1.00 0.00 C ATOM 399 OH TYR A 396 9.900 1.663 16.734 1.00 0.00 O ATOM 0 H TYR A 396 4.648 2.751 10.647 1.00 0.00 H new ATOM 0 HA TYR A 396 4.775 1.450 13.154 1.00 0.00 H new ATOM 0 HB2 TYR A 396 6.635 1.478 11.523 1.00 0.00 H new ATOM 0 HB3 TYR A 396 6.773 3.219 11.669 1.00 0.00 H new ATOM 0 HD1 TYR A 396 6.982 0.040 13.631 1.00 0.00 H new ATOM 0 HD2 TYR A 396 8.019 4.206 13.452 1.00 0.00 H new ATOM 0 HE1 TYR A 396 8.462 -0.242 15.601 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.500 3.921 15.420 1.00 0.00 H new ATOM 0 HH TYR A 396 10.320 2.521 16.953 1.00 0.00 H new ATOM 409 N PHE A 397 4.643 4.729 13.171 1.00 0.00 N ATOM 410 CA PHE A 397 4.483 5.896 14.031 1.00 0.00 C ATOM 411 C PHE A 397 3.356 5.663 15.034 1.00 0.00 C ATOM 412 O PHE A 397 3.505 5.946 16.224 1.00 0.00 O ATOM 413 CB PHE A 397 4.166 7.132 13.181 1.00 0.00 C ATOM 414 CG PHE A 397 4.262 8.373 14.036 1.00 0.00 C ATOM 415 CD1 PHE A 397 3.229 8.700 14.922 1.00 0.00 C ATOM 416 CD2 PHE A 397 5.392 9.192 13.944 1.00 0.00 C ATOM 417 CE1 PHE A 397 3.327 9.850 15.716 1.00 0.00 C ATOM 418 CE2 PHE A 397 5.491 10.341 14.738 1.00 0.00 C ATOM 419 CZ PHE A 397 4.457 10.670 15.624 1.00 0.00 C ATOM 0 H PHE A 397 4.553 4.921 12.173 1.00 0.00 H new ATOM 0 HA PHE A 397 5.414 6.059 14.574 1.00 0.00 H new ATOM 0 HB2 PHE A 397 4.862 7.199 12.345 1.00 0.00 H new ATOM 0 HB3 PHE A 397 3.166 7.047 12.757 1.00 0.00 H new ATOM 0 HD1 PHE A 397 2.357 8.066 14.993 1.00 0.00 H new ATOM 0 HD2 PHE A 397 6.189 8.938 13.260 1.00 0.00 H new ATOM 0 HE1 PHE A 397 2.530 10.104 16.399 1.00 0.00 H new ATOM 0 HE2 PHE A 397 6.364 10.973 14.667 1.00 0.00 H new ATOM 0 HZ PHE A 397 4.532 11.557 16.236 1.00 0.00 H new ATOM 429 N ILE A 398 2.235 5.140 14.548 1.00 0.00 N ATOM 430 CA ILE A 398 1.094 4.867 15.410 1.00 0.00 C ATOM 431 C ILE A 398 1.445 3.789 16.435 1.00 0.00 C ATOM 432 O ILE A 398 1.091 3.899 17.609 1.00 0.00 O ATOM 433 CB ILE A 398 -0.111 4.419 14.569 1.00 0.00 C ATOM 434 CG1 ILE A 398 -0.597 5.592 13.718 1.00 0.00 C ATOM 435 CG2 ILE A 398 -1.241 3.960 15.496 1.00 0.00 C ATOM 436 CD1 ILE A 398 -1.583 5.077 12.670 1.00 0.00 C ATOM 0 H ILE A 398 2.094 4.898 13.567 1.00 0.00 H new ATOM 0 HA ILE A 398 0.835 5.783 15.941 1.00 0.00 H new ATOM 0 HB ILE A 398 0.184 3.593 13.921 1.00 0.00 H new ATOM 0 HG12 ILE A 398 -1.076 6.341 14.349 1.00 0.00 H new ATOM 0 HG13 ILE A 398 0.248 6.079 13.231 1.00 0.00 H new ATOM 0 HG21 ILE A 398 -2.095 3.642 14.898 1.00 0.00 H new ATOM 0 HG22 ILE A 398 -0.895 3.126 16.106 1.00 0.00 H new ATOM 0 HG23 ILE A 398 -1.538 4.785 16.144 1.00 0.00 H new ATOM 0 HD11 ILE A 398 -1.933 5.910 12.060 1.00 0.00 H new ATOM 0 HD12 ILE A 398 -1.088 4.344 12.034 1.00 0.00 H new ATOM 0 HD13 ILE A 398 -2.432 4.610 13.168 1.00 0.00 H new ATOM 448 N GLY A 399 2.139 2.746 15.982 1.00 0.00 N ATOM 449 CA GLY A 399 2.520 1.655 16.865 1.00 0.00 C ATOM 450 C GLY A 399 3.468 2.143 17.947 1.00 0.00 C ATOM 451 O GLY A 399 3.419 1.679 19.087 1.00 0.00 O ATOM 0 H GLY A 399 2.445 2.637 15.015 1.00 0.00 H new ATOM 0 HA2 GLY A 399 1.630 1.224 17.323 1.00 0.00 H new ATOM 0 HA3 GLY A 399 2.997 0.863 16.287 1.00 0.00 H new ATOM 455 N LEU A 400 4.332 3.082 17.585 1.00 0.00 N ATOM 456 CA LEU A 400 5.290 3.623 18.535 1.00 0.00 C ATOM 457 C LEU A 400 4.569 4.330 19.678 1.00 0.00 C ATOM 458 O LEU A 400 4.955 4.204 20.841 1.00 0.00 O ATOM 459 CB LEU A 400 6.237 4.607 17.833 1.00 0.00 C ATOM 460 CG LEU A 400 7.224 5.208 18.849 1.00 0.00 C ATOM 461 CD1 LEU A 400 8.035 4.087 19.521 1.00 0.00 C ATOM 462 CD2 LEU A 400 8.170 6.170 18.124 1.00 0.00 C ATOM 0 H LEU A 400 4.388 3.481 16.648 1.00 0.00 H new ATOM 0 HA LEU A 400 5.872 2.796 18.943 1.00 0.00 H new ATOM 0 HB2 LEU A 400 6.785 4.095 17.042 1.00 0.00 H new ATOM 0 HB3 LEU A 400 5.662 5.402 17.359 1.00 0.00 H new ATOM 0 HG LEU A 400 6.670 5.749 19.616 1.00 0.00 H new ATOM 0 HD11 LEU A 400 8.731 4.521 20.239 1.00 0.00 H new ATOM 0 HD12 LEU A 400 7.357 3.408 20.038 1.00 0.00 H new ATOM 0 HD13 LEU A 400 8.592 3.536 18.763 1.00 0.00 H new ATOM 0 HD21 LEU A 400 8.872 6.599 18.840 1.00 0.00 H new ATOM 0 HD22 LEU A 400 8.721 5.628 17.356 1.00 0.00 H new ATOM 0 HD23 LEU A 400 7.591 6.969 17.660 1.00 0.00 H new ATOM 474 N LYS A 401 3.531 5.085 19.339 1.00 0.00 N ATOM 475 CA LYS A 401 2.776 5.819 20.345 1.00 0.00 C ATOM 476 C LYS A 401 2.135 4.857 21.339 1.00 0.00 C ATOM 477 O LYS A 401 1.536 3.856 20.948 1.00 0.00 O ATOM 478 CB LYS A 401 1.689 6.657 19.668 1.00 0.00 C ATOM 479 CG LYS A 401 1.021 7.563 20.704 1.00 0.00 C ATOM 480 CD LYS A 401 -0.020 8.446 20.016 1.00 0.00 C ATOM 481 CE LYS A 401 -0.676 9.362 21.050 1.00 0.00 C ATOM 482 NZ LYS A 401 -1.698 10.216 20.380 1.00 0.00 N ATOM 0 H LYS A 401 3.195 5.204 18.383 1.00 0.00 H new ATOM 0 HA LYS A 401 3.460 6.475 20.883 1.00 0.00 H new ATOM 0 HB2 LYS A 401 2.124 7.259 18.870 1.00 0.00 H new ATOM 0 HB3 LYS A 401 0.947 6.005 19.207 1.00 0.00 H new ATOM 0 HG2 LYS A 401 0.547 6.960 21.478 1.00 0.00 H new ATOM 0 HG3 LYS A 401 1.770 8.183 21.197 1.00 0.00 H new ATOM 0 HD2 LYS A 401 0.452 9.042 19.235 1.00 0.00 H new ATOM 0 HD3 LYS A 401 -0.775 7.827 19.532 1.00 0.00 H new ATOM 0 HE2 LYS A 401 -1.142 8.767 21.835 1.00 0.00 H new ATOM 0 HE3 LYS A 401 0.078 9.987 21.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 -2.144 10.839 21.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 -1.241 10.794 19.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 -2.423 9.612 19.943 1.00 0.00 H new ATOM 496 N HIS A 402 2.268 5.165 22.625 1.00 0.00 N ATOM 497 CA HIS A 402 1.700 4.318 23.667 1.00 0.00 C ATOM 498 C HIS A 402 0.195 4.538 23.774 1.00 0.00 C ATOM 499 O HIS A 402 -0.293 5.652 23.591 1.00 0.00 O ATOM 500 CB HIS A 402 2.360 4.630 25.011 1.00 0.00 C ATOM 501 CG HIS A 402 3.835 4.355 24.921 1.00 0.00 C ATOM 502 ND1 HIS A 402 4.345 3.069 24.821 1.00 0.00 N ATOM 503 CD2 HIS A 402 4.925 5.191 24.917 1.00 0.00 C ATOM 504 CE1 HIS A 402 5.685 3.167 24.762 1.00 0.00 C ATOM 505 NE2 HIS A 402 6.092 4.439 24.816 1.00 0.00 N ATOM 0 H HIS A 402 2.761 5.989 22.969 1.00 0.00 H new ATOM 0 HA HIS A 402 1.886 3.277 23.404 1.00 0.00 H new ATOM 0 HB2 HIS A 402 2.189 5.673 25.279 1.00 0.00 H new ATOM 0 HB3 HIS A 402 1.913 4.022 25.798 1.00 0.00 H new ATOM 0 HD2 HIS A 402 4.883 6.268 24.982 1.00 0.00 H new ATOM 0 HE1 HIS A 402 6.351 2.321 24.681 1.00 0.00 H new ATOM 0 HE2 HIS A 402 7.051 4.784 24.789 1.00 0.00 H new ATOM 514 N HIS A 403 -0.535 3.467 24.067 1.00 0.00 N ATOM 515 CA HIS A 403 -1.985 3.554 24.194 1.00 0.00 C ATOM 516 C HIS A 403 -2.369 4.144 25.549 1.00 0.00 C ATOM 517 O HIS A 403 -1.819 3.762 26.581 1.00 0.00 O ATOM 518 CB HIS A 403 -2.609 2.164 24.043 1.00 0.00 C ATOM 519 CG HIS A 403 -4.094 2.254 24.266 1.00 0.00 C ATOM 520 ND1 HIS A 403 -4.947 2.821 23.332 1.00 0.00 N ATOM 521 CD2 HIS A 403 -4.894 1.854 25.308 1.00 0.00 C ATOM 522 CE1 HIS A 403 -6.196 2.749 23.825 1.00 0.00 C ATOM 523 NE2 HIS A 403 -6.221 2.168 25.028 1.00 0.00 N ATOM 0 H HIS A 403 -0.150 2.535 24.220 1.00 0.00 H new ATOM 0 HA HIS A 403 -2.362 4.206 23.406 1.00 0.00 H new ATOM 0 HB2 HIS A 403 -2.403 1.767 23.049 1.00 0.00 H new ATOM 0 HB3 HIS A 403 -2.164 1.474 24.760 1.00 0.00 H new ATOM 0 HD1 HIS A 403 -4.676 3.221 22.433 1.00 0.00 H new ATOM 0 HD2 HIS A 403 -4.546 1.369 26.208 1.00 0.00 H new ATOM 0 HE1 HIS A 403 -7.072 3.116 23.311 1.00 0.00 H new ATOM 532 N HIS A 404 -3.316 5.077 25.536 1.00 0.00 N ATOM 533 CA HIS A 404 -3.764 5.711 26.770 1.00 0.00 C ATOM 534 C HIS A 404 -4.477 4.701 27.663 1.00 0.00 C ATOM 535 O HIS A 404 -5.263 3.882 27.186 1.00 0.00 O ATOM 536 CB HIS A 404 -4.714 6.867 26.449 1.00 0.00 C ATOM 537 CG HIS A 404 -3.949 7.975 25.778 1.00 0.00 C ATOM 538 ND1 HIS A 404 -3.904 8.115 24.400 1.00 0.00 N ATOM 539 CD2 HIS A 404 -3.192 9.002 26.284 1.00 0.00 C ATOM 540 CE1 HIS A 404 -3.144 9.191 24.127 1.00 0.00 C ATOM 541 NE2 HIS A 404 -2.686 9.769 25.240 1.00 0.00 N ATOM 0 H HIS A 404 -3.784 5.408 24.692 1.00 0.00 H new ATOM 0 HA HIS A 404 -2.890 6.094 27.297 1.00 0.00 H new ATOM 0 HB2 HIS A 404 -5.518 6.521 25.800 1.00 0.00 H new ATOM 0 HB3 HIS A 404 -5.179 7.234 27.364 1.00 0.00 H new ATOM 0 HD2 HIS A 404 -3.016 9.186 27.333 1.00 0.00 H new ATOM 0 HE1 HIS A 404 -2.930 9.544 23.129 1.00 0.00 H new ATOM 0 HE2 HIS A 404 -2.092 10.596 25.310 1.00 0.00 H new ATOM 550 N ALA A 405 -4.195 4.763 28.961 1.00 0.00 N ATOM 551 CA ALA A 405 -4.814 3.849 29.914 1.00 0.00 C ATOM 552 C ALA A 405 -6.230 4.303 30.252 1.00 0.00 C ATOM 553 O ALA A 405 -6.997 3.565 30.872 1.00 0.00 O ATOM 554 CB ALA A 405 -3.977 3.783 31.194 1.00 0.00 C ATOM 0 H ALA A 405 -3.546 5.432 29.375 1.00 0.00 H new ATOM 0 HA ALA A 405 -4.862 2.859 29.460 1.00 0.00 H new ATOM 0 HB1 ALA A 405 -4.446 3.098 31.901 1.00 0.00 H new ATOM 0 HB2 ALA A 405 -2.975 3.428 30.955 1.00 0.00 H new ATOM 0 HB3 ALA A 405 -3.914 4.776 31.639 1.00 0.00 H new ATOM 560 N GLY A 406 -6.570 5.520 29.840 1.00 0.00 N ATOM 561 CA GLY A 406 -7.897 6.061 30.106 1.00 0.00 C ATOM 562 C GLY A 406 -8.973 5.234 29.413 1.00 0.00 C ATOM 563 O GLY A 406 -10.062 5.036 29.952 1.00 0.00 O ATOM 0 H GLY A 406 -5.950 6.145 29.325 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -8.079 6.074 31.181 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -7.948 7.094 29.761 1.00 0.00 H new ATOM 567 N TYR A 407 -8.662 4.753 28.213 1.00 0.00 N ATOM 568 CA TYR A 407 -9.612 3.948 27.455 1.00 0.00 C ATOM 569 C TYR A 407 -9.662 2.525 28.000 1.00 0.00 C ATOM 570 O TYR A 407 -8.628 1.881 28.179 1.00 0.00 O ATOM 571 CB TYR A 407 -9.209 3.915 25.981 1.00 0.00 C ATOM 572 CG TYR A 407 -10.328 3.310 25.166 1.00 0.00 C ATOM 573 CD1 TYR A 407 -11.437 4.087 24.814 1.00 0.00 C ATOM 574 CD2 TYR A 407 -10.255 1.970 24.764 1.00 0.00 C ATOM 575 CE1 TYR A 407 -12.474 3.526 24.059 1.00 0.00 C ATOM 576 CE2 TYR A 407 -11.292 1.409 24.008 1.00 0.00 C ATOM 577 CZ TYR A 407 -12.402 2.186 23.657 1.00 0.00 C ATOM 578 OH TYR A 407 -13.423 1.634 22.912 1.00 0.00 O ATOM 0 H TYR A 407 -7.767 4.905 27.748 1.00 0.00 H new ATOM 0 HA TYR A 407 -10.600 4.399 27.552 1.00 0.00 H new ATOM 0 HB2 TYR A 407 -8.993 4.924 25.629 1.00 0.00 H new ATOM 0 HB3 TYR A 407 -8.297 3.332 25.855 1.00 0.00 H new ATOM 0 HD1 TYR A 407 -11.493 5.120 25.125 1.00 0.00 H new ATOM 0 HD2 TYR A 407 -9.400 1.370 25.037 1.00 0.00 H new ATOM 0 HE1 TYR A 407 -13.329 4.126 23.787 1.00 0.00 H new ATOM 0 HE2 TYR A 407 -11.235 0.377 23.696 1.00 0.00 H new ATOM 0 HH TYR A 407 -13.215 0.697 22.716 1.00 0.00 H new ATOM 588 N GLU A 408 -10.871 2.041 28.265 1.00 0.00 N ATOM 589 CA GLU A 408 -11.037 0.695 28.792 1.00 0.00 C ATOM 590 C GLU A 408 -10.752 -0.339 27.711 1.00 0.00 C ATOM 591 O GLU A 408 -11.428 -0.381 26.682 1.00 0.00 O ATOM 592 CB GLU A 408 -12.465 0.510 29.318 1.00 0.00 C ATOM 593 CG GLU A 408 -12.542 -0.741 30.203 1.00 0.00 C ATOM 594 CD GLU A 408 -12.481 -1.992 29.336 1.00 0.00 C ATOM 595 OE1 GLU A 408 -13.030 -1.961 28.248 1.00 0.00 O ATOM 596 OE2 GLU A 408 -11.886 -2.963 29.773 1.00 0.00 O ATOM 0 H GLU A 408 -11.740 2.556 28.125 1.00 0.00 H new ATOM 0 HA GLU A 408 -10.330 0.554 29.610 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -12.767 1.388 29.889 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -13.160 0.418 28.483 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -11.719 -0.743 30.918 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -13.466 -0.733 30.781 1.00 0.00 H new ATOM 603 N GLN A 409 -9.752 -1.173 27.952 1.00 0.00 N ATOM 604 CA GLN A 409 -9.383 -2.207 26.990 1.00 0.00 C ATOM 605 C GLN A 409 -10.603 -3.051 26.608 1.00 0.00 C ATOM 606 O GLN A 409 -11.385 -3.456 27.467 1.00 0.00 O ATOM 607 CB GLN A 409 -8.295 -3.115 27.591 1.00 0.00 C ATOM 608 CG GLN A 409 -8.928 -4.188 28.497 1.00 0.00 C ATOM 609 CD GLN A 409 -7.871 -4.815 29.388 1.00 0.00 C ATOM 610 OE1 GLN A 409 -6.975 -4.126 29.873 1.00 0.00 O ATOM 611 NE2 GLN A 409 -7.933 -6.092 29.641 1.00 0.00 N ATOM 0 H GLN A 409 -9.183 -1.157 28.799 1.00 0.00 H new ATOM 0 HA GLN A 409 -8.999 -1.722 26.093 1.00 0.00 H new ATOM 0 HB2 GLN A 409 -7.730 -3.593 26.791 1.00 0.00 H new ATOM 0 HB3 GLN A 409 -7.589 -2.515 28.166 1.00 0.00 H new ATOM 0 HG2 GLN A 409 -9.711 -3.741 29.109 1.00 0.00 H new ATOM 0 HG3 GLN A 409 -9.401 -4.957 27.886 1.00 0.00 H new ATOM 0 HE21 GLN A 409 -8.679 -6.657 29.235 1.00 0.00 H new ATOM 0 HE22 GLN A 409 -7.235 -6.527 30.245 1.00 0.00 H new ATOM 620 N PHE A 410 -10.754 -3.316 25.319 1.00 0.00 N ATOM 621 CA PHE A 410 -11.877 -4.115 24.845 1.00 0.00 C ATOM 622 C PHE A 410 -12.000 -5.401 25.658 1.00 0.00 C ATOM 623 O PHE A 410 -10.981 -6.030 25.895 1.00 0.00 O ATOM 624 CB PHE A 410 -11.681 -4.459 23.369 1.00 0.00 C ATOM 625 CG PHE A 410 -10.439 -5.300 23.206 1.00 0.00 C ATOM 626 CD1 PHE A 410 -9.196 -4.685 23.012 1.00 0.00 C ATOM 627 CD2 PHE A 410 -10.530 -6.697 23.248 1.00 0.00 C ATOM 628 CE1 PHE A 410 -8.044 -5.467 22.858 1.00 0.00 C ATOM 629 CE2 PHE A 410 -9.377 -7.479 23.096 1.00 0.00 C ATOM 630 CZ PHE A 410 -8.134 -6.863 22.900 1.00 0.00 C ATOM 631 OXT PHE A 410 -13.111 -5.739 26.031 1.00 0.00 O ATOM 0 H PHE A 410 -10.120 -2.994 24.588 1.00 0.00 H new ATOM 0 HA PHE A 410 -12.792 -3.534 24.966 1.00 0.00 H new ATOM 0 HB2 PHE A 410 -12.550 -4.999 22.992 1.00 0.00 H new ATOM 0 HB3 PHE A 410 -11.594 -3.546 22.781 1.00 0.00 H new ATOM 0 HD1 PHE A 410 -9.125 -3.608 22.981 1.00 0.00 H new ATOM 0 HD2 PHE A 410 -11.489 -7.172 23.398 1.00 0.00 H new ATOM 0 HE1 PHE A 410 -7.086 -4.992 22.707 1.00 0.00 H new ATOM 0 HE2 PHE A 410 -9.447 -8.556 23.130 1.00 0.00 H new ATOM 0 HZ PHE A 410 -7.245 -7.465 22.781 1.00 0.00 H new TER 641 PHE A 410