USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=5 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 33:sc= 0.114 USER MOD Single : A 374 ASN : amide:sc= -0.0259 K(o=-0.026,f=-1.8!) USER MOD Single : A 396 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ 161:sc= -0.0432 (180deg=-0.508) USER MOD Single : A 402 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-3.7!) USER MOD Single : A 403 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -3.97! K(o=-4!,f=-3) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 369 21.218 -11.083 -14.128 1.00 0.00 N ATOM 2 CA SER A 369 22.258 -10.393 -14.942 1.00 0.00 C ATOM 3 C SER A 369 21.585 -9.406 -15.890 1.00 0.00 C ATOM 4 O SER A 369 21.927 -8.225 -15.916 1.00 0.00 O ATOM 5 CB SER A 369 23.047 -11.430 -15.742 1.00 0.00 C ATOM 6 OG SER A 369 23.664 -12.344 -14.846 1.00 0.00 O ATOM 0 HA SER A 369 22.940 -9.852 -14.287 1.00 0.00 H new ATOM 0 HB2 SER A 369 22.383 -11.963 -16.423 1.00 0.00 H new ATOM 0 HB3 SER A 369 23.802 -10.937 -16.354 1.00 0.00 H new ATOM 0 HG SER A 369 23.097 -12.460 -14.055 1.00 0.00 H new ATOM 14 N ALA A 370 20.627 -9.900 -16.668 1.00 0.00 N ATOM 15 CA ALA A 370 19.910 -9.052 -17.616 1.00 0.00 C ATOM 16 C ALA A 370 18.528 -9.624 -17.897 1.00 0.00 C ATOM 17 O ALA A 370 18.347 -10.839 -17.961 1.00 0.00 O ATOM 18 CB ALA A 370 20.700 -8.943 -18.921 1.00 0.00 C ATOM 0 H ALA A 370 20.330 -10.876 -16.662 1.00 0.00 H new ATOM 0 HA ALA A 370 19.798 -8.059 -17.180 1.00 0.00 H new ATOM 0 HB1 ALA A 370 20.158 -8.309 -19.623 1.00 0.00 H new ATOM 0 HB2 ALA A 370 21.678 -8.507 -18.719 1.00 0.00 H new ATOM 0 HB3 ALA A 370 20.827 -9.936 -19.353 1.00 0.00 H new ATOM 24 N ASP A 371 17.555 -8.736 -18.067 1.00 0.00 N ATOM 25 CA ASP A 371 16.175 -9.152 -18.346 1.00 0.00 C ATOM 26 C ASP A 371 15.872 -9.040 -19.838 1.00 0.00 C ATOM 27 O ASP A 371 15.805 -7.940 -20.385 1.00 0.00 O ATOM 28 CB ASP A 371 15.185 -8.288 -17.555 1.00 0.00 C ATOM 29 CG ASP A 371 13.804 -8.928 -17.580 1.00 0.00 C ATOM 30 OD1 ASP A 371 13.561 -9.731 -18.467 1.00 0.00 O ATOM 31 OD2 ASP A 371 13.011 -8.610 -16.712 1.00 0.00 O ATOM 0 H ASP A 371 17.690 -7.726 -18.018 1.00 0.00 H new ATOM 0 HA ASP A 371 16.066 -10.192 -18.039 1.00 0.00 H new ATOM 0 HB2 ASP A 371 15.526 -8.179 -16.526 1.00 0.00 H new ATOM 0 HB3 ASP A 371 15.139 -7.287 -17.984 1.00 0.00 H new ATOM 36 N ASP A 372 15.690 -10.185 -20.490 1.00 0.00 N ATOM 37 CA ASP A 372 15.397 -10.203 -21.916 1.00 0.00 C ATOM 38 C ASP A 372 14.073 -9.495 -22.195 1.00 0.00 C ATOM 39 O ASP A 372 13.928 -8.805 -23.204 1.00 0.00 O ATOM 40 CB ASP A 372 15.323 -11.649 -22.415 1.00 0.00 C ATOM 41 CG ASP A 372 16.715 -12.267 -22.433 1.00 0.00 C ATOM 42 OD1 ASP A 372 17.675 -11.520 -22.338 1.00 0.00 O ATOM 43 OD2 ASP A 372 16.802 -13.480 -22.537 1.00 0.00 O ATOM 0 H ASP A 372 15.740 -11.106 -20.055 1.00 0.00 H new ATOM 0 HA ASP A 372 16.195 -9.680 -22.442 1.00 0.00 H new ATOM 0 HB2 ASP A 372 14.666 -12.232 -21.769 1.00 0.00 H new ATOM 0 HB3 ASP A 372 14.892 -11.675 -23.416 1.00 0.00 H new ATOM 48 N ASP A 373 13.108 -9.675 -21.297 1.00 0.00 N ATOM 49 CA ASP A 373 11.799 -9.053 -21.459 1.00 0.00 C ATOM 50 C ASP A 373 11.896 -7.541 -21.269 1.00 0.00 C ATOM 51 O ASP A 373 12.576 -7.061 -20.363 1.00 0.00 O ATOM 52 CB ASP A 373 10.815 -9.636 -20.445 1.00 0.00 C ATOM 53 CG ASP A 373 9.402 -9.151 -20.753 1.00 0.00 C ATOM 54 OD1 ASP A 373 9.262 -8.311 -21.626 1.00 0.00 O ATOM 55 OD2 ASP A 373 8.480 -9.630 -20.113 1.00 0.00 O ATOM 0 H ASP A 373 13.207 -10.243 -20.455 1.00 0.00 H new ATOM 0 HA ASP A 373 11.443 -9.258 -22.469 1.00 0.00 H new ATOM 0 HB2 ASP A 373 10.850 -10.725 -20.476 1.00 0.00 H new ATOM 0 HB3 ASP A 373 11.099 -9.337 -19.436 1.00 0.00 H new ATOM 60 N ASN A 374 11.209 -6.796 -22.130 1.00 0.00 N ATOM 61 CA ASN A 374 11.224 -5.340 -22.050 1.00 0.00 C ATOM 62 C ASN A 374 10.486 -4.867 -20.800 1.00 0.00 C ATOM 63 O ASN A 374 9.465 -5.438 -20.420 1.00 0.00 O ATOM 64 CB ASN A 374 10.556 -4.744 -23.291 1.00 0.00 C ATOM 65 CG ASN A 374 11.444 -4.956 -24.511 1.00 0.00 C ATOM 66 OD1 ASN A 374 12.642 -5.201 -24.373 1.00 0.00 O ATOM 67 ND2 ASN A 374 10.926 -4.875 -25.706 1.00 0.00 N ATOM 0 H ASN A 374 10.639 -7.174 -22.886 1.00 0.00 H new ATOM 0 HA ASN A 374 12.260 -5.007 -21.998 1.00 0.00 H new ATOM 0 HB2 ASN A 374 9.585 -5.212 -23.452 1.00 0.00 H new ATOM 0 HB3 ASN A 374 10.376 -3.679 -23.142 1.00 0.00 H new ATOM 0 HD21 ASN A 374 11.514 -5.015 -26.527 1.00 0.00 H new ATOM 0 HD22 ASN A 374 9.933 -4.672 -25.819 1.00 0.00 H new ATOM 74 N PHE A 375 11.011 -3.821 -20.165 1.00 0.00 N ATOM 75 CA PHE A 375 10.396 -3.278 -18.959 1.00 0.00 C ATOM 76 C PHE A 375 10.638 -1.773 -18.872 1.00 0.00 C ATOM 77 O PHE A 375 11.782 -1.318 -18.847 1.00 0.00 O ATOM 78 CB PHE A 375 10.978 -3.967 -17.725 1.00 0.00 C ATOM 79 CG PHE A 375 10.347 -3.386 -16.481 1.00 0.00 C ATOM 80 CD1 PHE A 375 9.014 -3.682 -16.169 1.00 0.00 C ATOM 81 CD2 PHE A 375 11.092 -2.550 -15.641 1.00 0.00 C ATOM 82 CE1 PHE A 375 8.428 -3.143 -15.017 1.00 0.00 C ATOM 83 CE2 PHE A 375 10.507 -2.010 -14.490 1.00 0.00 C ATOM 84 CZ PHE A 375 9.175 -2.306 -14.178 1.00 0.00 C ATOM 0 H PHE A 375 11.857 -3.336 -20.465 1.00 0.00 H new ATOM 0 HA PHE A 375 9.322 -3.460 -19.001 1.00 0.00 H new ATOM 0 HB2 PHE A 375 10.793 -5.040 -17.773 1.00 0.00 H new ATOM 0 HB3 PHE A 375 12.059 -3.831 -17.695 1.00 0.00 H new ATOM 0 HD1 PHE A 375 8.438 -4.326 -16.817 1.00 0.00 H new ATOM 0 HD2 PHE A 375 12.120 -2.321 -15.882 1.00 0.00 H new ATOM 0 HE1 PHE A 375 7.401 -3.372 -14.775 1.00 0.00 H new ATOM 0 HE2 PHE A 375 11.083 -1.365 -13.843 1.00 0.00 H new ATOM 0 HZ PHE A 375 8.723 -1.889 -13.290 1.00 0.00 H new ATOM 94 N LEU A 376 9.556 -1.007 -18.825 1.00 0.00 N ATOM 95 CA LEU A 376 9.659 0.445 -18.741 1.00 0.00 C ATOM 96 C LEU A 376 10.065 0.866 -17.334 1.00 0.00 C ATOM 97 O LEU A 376 9.682 0.232 -16.352 1.00 0.00 O ATOM 98 CB LEU A 376 8.314 1.086 -19.104 1.00 0.00 C ATOM 99 CG LEU A 376 8.108 1.023 -20.619 1.00 0.00 C ATOM 100 CD1 LEU A 376 8.082 -0.442 -21.077 1.00 0.00 C ATOM 101 CD2 LEU A 376 6.780 1.703 -20.978 1.00 0.00 C ATOM 0 H LEU A 376 8.601 -1.364 -18.843 1.00 0.00 H new ATOM 0 HA LEU A 376 10.421 0.782 -19.444 1.00 0.00 H new ATOM 0 HB2 LEU A 376 7.503 0.566 -18.595 1.00 0.00 H new ATOM 0 HB3 LEU A 376 8.290 2.122 -18.766 1.00 0.00 H new ATOM 0 HG LEU A 376 8.927 1.538 -21.121 1.00 0.00 H new ATOM 0 HD11 LEU A 376 7.935 -0.483 -22.156 1.00 0.00 H new ATOM 0 HD12 LEU A 376 9.027 -0.920 -20.821 1.00 0.00 H new ATOM 0 HD13 LEU A 376 7.265 -0.964 -20.579 1.00 0.00 H new ATOM 0 HD21 LEU A 376 6.629 1.660 -22.057 1.00 0.00 H new ATOM 0 HD22 LEU A 376 5.960 1.188 -20.476 1.00 0.00 H new ATOM 0 HD23 LEU A 376 6.806 2.744 -20.656 1.00 0.00 H new ATOM 113 N VAL A 377 10.846 1.940 -17.244 1.00 0.00 N ATOM 114 CA VAL A 377 11.308 2.446 -15.950 1.00 0.00 C ATOM 115 C VAL A 377 11.229 3.970 -15.911 1.00 0.00 C ATOM 116 O VAL A 377 12.252 4.655 -15.922 1.00 0.00 O ATOM 117 CB VAL A 377 12.745 1.997 -15.703 1.00 0.00 C ATOM 118 CG1 VAL A 377 13.114 2.273 -14.245 1.00 0.00 C ATOM 119 CG2 VAL A 377 12.858 0.496 -15.981 1.00 0.00 C ATOM 0 H VAL A 377 11.172 2.476 -18.048 1.00 0.00 H new ATOM 0 HA VAL A 377 10.663 2.044 -15.169 1.00 0.00 H new ATOM 0 HB VAL A 377 13.421 2.543 -16.361 1.00 0.00 H new ATOM 0 HG11 VAL A 377 14.140 1.954 -14.063 1.00 0.00 H new ATOM 0 HG12 VAL A 377 13.024 3.340 -14.043 1.00 0.00 H new ATOM 0 HG13 VAL A 377 12.441 1.722 -13.589 1.00 0.00 H new ATOM 0 HG21 VAL A 377 13.883 0.170 -15.806 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.186 -0.048 -15.318 1.00 0.00 H new ATOM 0 HG23 VAL A 377 12.586 0.296 -17.017 1.00 0.00 H new ATOM 129 N PRO A 378 10.034 4.509 -15.874 1.00 0.00 N ATOM 130 CA PRO A 378 9.811 5.983 -15.836 1.00 0.00 C ATOM 131 C PRO A 378 10.120 6.574 -14.465 1.00 0.00 C ATOM 132 O PRO A 378 10.259 5.848 -13.481 1.00 0.00 O ATOM 133 CB PRO A 378 8.325 6.137 -16.197 1.00 0.00 C ATOM 134 CG PRO A 378 7.679 4.851 -15.779 1.00 0.00 C ATOM 135 CD PRO A 378 8.759 3.764 -15.860 1.00 0.00 C ATOM 0 HA PRO A 378 10.469 6.519 -16.520 1.00 0.00 H new ATOM 0 HB2 PRO A 378 7.881 6.987 -15.679 1.00 0.00 H new ATOM 0 HB3 PRO A 378 8.196 6.312 -17.265 1.00 0.00 H new ATOM 0 HG2 PRO A 378 7.284 4.928 -14.766 1.00 0.00 H new ATOM 0 HG3 PRO A 378 6.839 4.611 -16.431 1.00 0.00 H new ATOM 0 HD2 PRO A 378 8.705 3.086 -15.008 1.00 0.00 H new ATOM 0 HD3 PRO A 378 8.644 3.157 -16.758 1.00 0.00 H new ATOM 143 N ILE A 379 10.231 7.895 -14.413 1.00 0.00 N ATOM 144 CA ILE A 379 10.525 8.583 -13.162 1.00 0.00 C ATOM 145 C ILE A 379 9.401 8.357 -12.155 1.00 0.00 C ATOM 146 O ILE A 379 9.655 8.112 -10.976 1.00 0.00 O ATOM 147 CB ILE A 379 10.696 10.082 -13.414 1.00 0.00 C ATOM 148 CG1 ILE A 379 11.961 10.313 -14.241 1.00 0.00 C ATOM 149 CG2 ILE A 379 10.819 10.818 -12.076 1.00 0.00 C ATOM 150 CD1 ILE A 379 11.987 11.758 -14.740 1.00 0.00 C ATOM 0 H ILE A 379 10.122 8.510 -15.219 1.00 0.00 H new ATOM 0 HA ILE A 379 11.452 8.179 -12.755 1.00 0.00 H new ATOM 0 HB ILE A 379 9.829 10.461 -13.955 1.00 0.00 H new ATOM 0 HG12 ILE A 379 12.845 10.110 -13.637 1.00 0.00 H new ATOM 0 HG13 ILE A 379 11.987 9.625 -15.086 1.00 0.00 H new ATOM 0 HG21 ILE A 379 10.941 11.886 -12.258 1.00 0.00 H new ATOM 0 HG22 ILE A 379 9.919 10.651 -11.485 1.00 0.00 H new ATOM 0 HG23 ILE A 379 11.685 10.442 -11.532 1.00 0.00 H new ATOM 0 HD11 ILE A 379 12.889 11.923 -15.330 1.00 0.00 H new ATOM 0 HD12 ILE A 379 11.109 11.945 -15.359 1.00 0.00 H new ATOM 0 HD13 ILE A 379 11.981 12.437 -13.888 1.00 0.00 H new ATOM 162 N ALA A 380 8.161 8.444 -12.628 1.00 0.00 N ATOM 163 CA ALA A 380 7.000 8.248 -11.764 1.00 0.00 C ATOM 164 C ALA A 380 7.233 7.081 -10.805 1.00 0.00 C ATOM 165 O ALA A 380 6.570 6.972 -9.774 1.00 0.00 O ATOM 166 CB ALA A 380 5.740 7.992 -12.606 1.00 0.00 C ATOM 0 H ALA A 380 7.934 8.648 -13.601 1.00 0.00 H new ATOM 0 HA ALA A 380 6.854 9.156 -11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 380 4.884 7.848 -11.946 1.00 0.00 H new ATOM 0 HB2 ALA A 380 5.557 8.847 -13.256 1.00 0.00 H new ATOM 0 HB3 ALA A 380 5.884 7.099 -13.214 1.00 0.00 H new ATOM 172 N VAL A 381 8.183 6.213 -11.151 1.00 0.00 N ATOM 173 CA VAL A 381 8.491 5.065 -10.316 1.00 0.00 C ATOM 174 C VAL A 381 9.051 5.518 -8.973 1.00 0.00 C ATOM 175 O VAL A 381 8.686 4.981 -7.926 1.00 0.00 O ATOM 176 CB VAL A 381 9.501 4.151 -11.030 1.00 0.00 C ATOM 177 CG1 VAL A 381 10.056 3.118 -10.043 1.00 0.00 C ATOM 178 CG2 VAL A 381 8.805 3.420 -12.186 1.00 0.00 C ATOM 0 H VAL A 381 8.746 6.286 -11.998 1.00 0.00 H new ATOM 0 HA VAL A 381 7.572 4.507 -10.137 1.00 0.00 H new ATOM 0 HB VAL A 381 10.319 4.759 -11.418 1.00 0.00 H new ATOM 0 HG11 VAL A 381 10.771 2.473 -10.555 1.00 0.00 H new ATOM 0 HG12 VAL A 381 10.554 3.632 -9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 381 9.238 2.513 -9.651 1.00 0.00 H new ATOM 0 HG21 VAL A 381 9.522 2.773 -12.691 1.00 0.00 H new ATOM 0 HG22 VAL A 381 7.985 2.818 -11.795 1.00 0.00 H new ATOM 0 HG23 VAL A 381 8.413 4.150 -12.894 1.00 0.00 H new ATOM 188 N GLY A 382 9.942 6.501 -9.011 1.00 0.00 N ATOM 189 CA GLY A 382 10.552 7.008 -7.792 1.00 0.00 C ATOM 190 C GLY A 382 9.501 7.584 -6.851 1.00 0.00 C ATOM 191 O GLY A 382 9.554 7.364 -5.641 1.00 0.00 O ATOM 0 H GLY A 382 10.255 6.959 -9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 382 11.092 6.205 -7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 382 11.283 7.777 -8.040 1.00 0.00 H new ATOM 195 N ALA A 383 8.550 8.321 -7.412 1.00 0.00 N ATOM 196 CA ALA A 383 7.492 8.921 -6.610 1.00 0.00 C ATOM 197 C ALA A 383 6.602 7.846 -5.993 1.00 0.00 C ATOM 198 O ALA A 383 6.176 7.965 -4.844 1.00 0.00 O ATOM 199 CB ALA A 383 6.642 9.849 -7.479 1.00 0.00 C ATOM 0 H ALA A 383 8.490 8.516 -8.411 1.00 0.00 H new ATOM 0 HA ALA A 383 7.956 9.494 -5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.853 10.294 -6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.271 10.638 -7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 383 6.195 9.278 -8.293 1.00 0.00 H new ATOM 205 N ALA A 384 6.322 6.801 -6.763 1.00 0.00 N ATOM 206 CA ALA A 384 5.474 5.716 -6.280 1.00 0.00 C ATOM 207 C ALA A 384 6.106 5.036 -5.073 1.00 0.00 C ATOM 208 O ALA A 384 5.439 4.764 -4.075 1.00 0.00 O ATOM 209 CB ALA A 384 5.263 4.689 -7.397 1.00 0.00 C ATOM 0 H ALA A 384 6.666 6.681 -7.716 1.00 0.00 H new ATOM 0 HA ALA A 384 4.513 6.134 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 384 4.629 3.880 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 384 4.783 5.171 -8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 384 6.227 4.284 -7.706 1.00 0.00 H new ATOM 215 N LEU A 385 7.397 4.763 -5.170 1.00 0.00 N ATOM 216 CA LEU A 385 8.113 4.111 -4.074 1.00 0.00 C ATOM 217 C LEU A 385 8.165 5.003 -2.843 1.00 0.00 C ATOM 218 O LEU A 385 7.995 4.537 -1.717 1.00 0.00 O ATOM 219 CB LEU A 385 9.539 3.735 -4.523 1.00 0.00 C ATOM 220 CG LEU A 385 9.556 2.316 -5.144 1.00 0.00 C ATOM 221 CD1 LEU A 385 10.721 2.196 -6.129 1.00 0.00 C ATOM 222 CD2 LEU A 385 9.721 1.278 -4.023 1.00 0.00 C ATOM 0 H LEU A 385 7.970 4.978 -5.986 1.00 0.00 H new ATOM 0 HA LEU A 385 7.572 3.203 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 385 9.901 4.461 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 385 10.217 3.773 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 385 8.621 2.139 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 385 10.729 1.196 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 385 10.605 2.935 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 385 11.660 2.371 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 385 9.734 0.277 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 385 10.658 1.458 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 385 8.889 1.362 -3.324 1.00 0.00 H new ATOM 234 N ALA A 386 8.406 6.285 -3.065 1.00 0.00 N ATOM 235 CA ALA A 386 8.489 7.228 -1.961 1.00 0.00 C ATOM 236 C ALA A 386 7.175 7.263 -1.188 1.00 0.00 C ATOM 237 O ALA A 386 7.172 7.366 0.038 1.00 0.00 O ATOM 238 CB ALA A 386 8.809 8.625 -2.495 1.00 0.00 C ATOM 0 H ALA A 386 8.546 6.694 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 386 9.283 6.906 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 386 8.870 9.327 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 386 9.763 8.603 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 386 8.023 8.942 -3.180 1.00 0.00 H new ATOM 244 N GLY A 387 6.065 7.173 -1.911 1.00 0.00 N ATOM 245 CA GLY A 387 4.752 7.193 -1.279 1.00 0.00 C ATOM 246 C GLY A 387 4.549 5.967 -0.395 1.00 0.00 C ATOM 247 O GLY A 387 3.968 6.059 0.687 1.00 0.00 O ATOM 0 H GLY A 387 6.047 7.086 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 387 4.647 8.098 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 387 3.977 7.225 -2.045 1.00 0.00 H new ATOM 251 N VAL A 388 5.028 4.821 -0.864 1.00 0.00 N ATOM 252 CA VAL A 388 4.888 3.581 -0.108 1.00 0.00 C ATOM 253 C VAL A 388 5.649 3.665 1.211 1.00 0.00 C ATOM 254 O VAL A 388 5.150 3.255 2.258 1.00 0.00 O ATOM 255 CB VAL A 388 5.409 2.401 -0.931 1.00 0.00 C ATOM 256 CG1 VAL A 388 5.334 1.120 -0.093 1.00 0.00 C ATOM 257 CG2 VAL A 388 4.551 2.245 -2.189 1.00 0.00 C ATOM 0 H VAL A 388 5.513 4.724 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 388 3.830 3.430 0.108 1.00 0.00 H new ATOM 0 HB VAL A 388 6.445 2.583 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 388 5.705 0.279 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.944 1.235 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 388 4.299 0.933 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 388 4.919 1.405 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 388 3.515 2.061 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 388 4.607 3.157 -2.783 1.00 0.00 H new ATOM 267 N LEU A 389 6.860 4.198 1.154 1.00 0.00 N ATOM 268 CA LEU A 389 7.686 4.329 2.347 1.00 0.00 C ATOM 269 C LEU A 389 7.011 5.239 3.361 1.00 0.00 C ATOM 270 O LEU A 389 7.082 4.999 4.566 1.00 0.00 O ATOM 271 CB LEU A 389 9.081 4.883 1.972 1.00 0.00 C ATOM 272 CG LEU A 389 10.029 3.741 1.568 1.00 0.00 C ATOM 273 CD1 LEU A 389 9.698 3.256 0.152 1.00 0.00 C ATOM 274 CD2 LEU A 389 11.471 4.248 1.603 1.00 0.00 C ATOM 0 H LEU A 389 7.292 4.546 0.298 1.00 0.00 H new ATOM 0 HA LEU A 389 7.810 3.343 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 389 8.987 5.592 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 389 9.500 5.429 2.817 1.00 0.00 H new ATOM 0 HG LEU A 389 9.908 2.913 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 389 10.375 2.448 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 389 8.670 2.894 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 389 9.813 4.081 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 389 12.147 3.442 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 389 11.582 5.079 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 389 11.714 4.585 2.611 1.00 0.00 H new ATOM 286 N ILE A 390 6.360 6.279 2.873 1.00 0.00 N ATOM 287 CA ILE A 390 5.683 7.213 3.752 1.00 0.00 C ATOM 288 C ILE A 390 4.577 6.504 4.519 1.00 0.00 C ATOM 289 O ILE A 390 4.387 6.737 5.713 1.00 0.00 O ATOM 290 CB ILE A 390 5.095 8.370 2.935 1.00 0.00 C ATOM 291 CG1 ILE A 390 6.245 9.214 2.330 1.00 0.00 C ATOM 292 CG2 ILE A 390 4.219 9.253 3.843 1.00 0.00 C ATOM 293 CD1 ILE A 390 6.743 10.261 3.341 1.00 0.00 C ATOM 0 H ILE A 390 6.286 6.497 1.879 1.00 0.00 H new ATOM 0 HA ILE A 390 6.405 7.612 4.464 1.00 0.00 H new ATOM 0 HB ILE A 390 4.481 7.969 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 390 7.068 8.561 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 390 5.899 9.712 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 390 3.803 10.074 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 390 3.408 8.655 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 390 4.826 9.655 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 390 7.550 10.842 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 390 5.923 10.926 3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 390 7.110 9.757 4.235 1.00 0.00 H new ATOM 305 N LEU A 391 3.844 5.645 3.826 1.00 0.00 N ATOM 306 CA LEU A 391 2.750 4.917 4.451 1.00 0.00 C ATOM 307 C LEU A 391 3.266 4.048 5.592 1.00 0.00 C ATOM 308 O LEU A 391 2.639 3.954 6.648 1.00 0.00 O ATOM 309 CB LEU A 391 2.057 4.038 3.403 1.00 0.00 C ATOM 310 CG LEU A 391 1.084 4.893 2.560 1.00 0.00 C ATOM 311 CD1 LEU A 391 0.920 4.273 1.170 1.00 0.00 C ATOM 312 CD2 LEU A 391 -0.285 4.947 3.252 1.00 0.00 C ATOM 0 H LEU A 391 3.985 5.436 2.838 1.00 0.00 H new ATOM 0 HA LEU A 391 2.038 5.635 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 391 2.801 3.574 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 391 1.514 3.231 3.894 1.00 0.00 H new ATOM 0 HG LEU A 391 1.487 5.901 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 391 0.233 4.880 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 391 1.889 4.234 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 391 0.521 3.263 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -0.970 5.550 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -0.683 3.937 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -0.175 5.392 4.241 1.00 0.00 H new ATOM 324 N VAL A 392 4.405 3.414 5.370 1.00 0.00 N ATOM 325 CA VAL A 392 4.999 2.550 6.381 1.00 0.00 C ATOM 326 C VAL A 392 5.416 3.364 7.601 1.00 0.00 C ATOM 327 O VAL A 392 5.238 2.934 8.740 1.00 0.00 O ATOM 328 CB VAL A 392 6.214 1.821 5.807 1.00 0.00 C ATOM 329 CG1 VAL A 392 6.879 0.993 6.908 1.00 0.00 C ATOM 330 CG2 VAL A 392 5.760 0.896 4.677 1.00 0.00 C ATOM 0 H VAL A 392 4.937 3.480 4.502 1.00 0.00 H new ATOM 0 HA VAL A 392 4.253 1.816 6.685 1.00 0.00 H new ATOM 0 HB VAL A 392 6.928 2.548 5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.745 0.473 6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 392 7.199 1.652 7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 392 6.167 0.264 7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 392 6.624 0.374 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 392 5.048 0.168 5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 392 5.284 1.485 3.893 1.00 0.00 H new ATOM 340 N LEU A 393 5.980 4.536 7.354 1.00 0.00 N ATOM 341 CA LEU A 393 6.431 5.401 8.444 1.00 0.00 C ATOM 342 C LEU A 393 5.263 5.811 9.324 1.00 0.00 C ATOM 343 O LEU A 393 5.381 5.855 10.549 1.00 0.00 O ATOM 344 CB LEU A 393 7.119 6.652 7.868 1.00 0.00 C ATOM 345 CG LEU A 393 8.622 6.377 7.621 1.00 0.00 C ATOM 346 CD1 LEU A 393 9.140 7.281 6.501 1.00 0.00 C ATOM 347 CD2 LEU A 393 9.404 6.663 8.910 1.00 0.00 C ATOM 0 H LEU A 393 6.137 4.912 6.419 1.00 0.00 H new ATOM 0 HA LEU A 393 7.144 4.846 9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 393 6.638 6.942 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 393 7.005 7.488 8.558 1.00 0.00 H new ATOM 0 HG LEU A 393 8.756 5.335 7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 393 10.198 7.082 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.583 7.081 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 393 9.008 8.325 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 393 10.464 6.471 8.743 1.00 0.00 H new ATOM 0 HD22 LEU A 393 9.265 7.705 9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 393 9.040 6.016 9.708 1.00 0.00 H new ATOM 359 N LEU A 394 4.144 6.116 8.700 1.00 0.00 N ATOM 360 CA LEU A 394 2.973 6.527 9.448 1.00 0.00 C ATOM 361 C LEU A 394 2.507 5.412 10.377 1.00 0.00 C ATOM 362 O LEU A 394 2.165 5.657 11.531 1.00 0.00 O ATOM 363 CB LEU A 394 1.850 6.889 8.483 1.00 0.00 C ATOM 364 CG LEU A 394 0.576 7.306 9.269 1.00 0.00 C ATOM 365 CD1 LEU A 394 -0.069 8.528 8.609 1.00 0.00 C ATOM 366 CD2 LEU A 394 -0.439 6.147 9.287 1.00 0.00 C ATOM 0 H LEU A 394 4.020 6.088 7.688 1.00 0.00 H new ATOM 0 HA LEU A 394 3.235 7.396 10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 394 2.168 7.705 7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 394 1.626 6.038 7.839 1.00 0.00 H new ATOM 0 HG LEU A 394 0.863 7.552 10.291 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -0.961 8.814 9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 394 0.639 9.357 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -0.344 8.284 7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -1.328 6.450 9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -0.718 5.892 8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 394 0.009 5.278 9.769 1.00 0.00 H new ATOM 378 N ALA A 395 2.500 4.187 9.863 1.00 0.00 N ATOM 379 CA ALA A 395 2.076 3.038 10.654 1.00 0.00 C ATOM 380 C ALA A 395 3.012 2.831 11.841 1.00 0.00 C ATOM 381 O ALA A 395 2.580 2.433 12.922 1.00 0.00 O ATOM 382 CB ALA A 395 2.065 1.779 9.788 1.00 0.00 C ATOM 0 H ALA A 395 2.781 3.965 8.908 1.00 0.00 H new ATOM 0 HA ALA A 395 1.070 3.230 11.026 1.00 0.00 H new ATOM 0 HB1 ALA A 395 1.747 0.927 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 395 1.373 1.915 8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 395 3.067 1.595 9.400 1.00 0.00 H new ATOM 388 N TYR A 396 4.295 3.100 11.632 1.00 0.00 N ATOM 389 CA TYR A 396 5.284 2.937 12.692 1.00 0.00 C ATOM 390 C TYR A 396 4.956 3.843 13.877 1.00 0.00 C ATOM 391 O TYR A 396 5.030 3.424 15.032 1.00 0.00 O ATOM 392 CB TYR A 396 6.682 3.268 12.160 1.00 0.00 C ATOM 393 CG TYR A 396 7.684 3.184 13.287 1.00 0.00 C ATOM 394 CD1 TYR A 396 8.136 1.933 13.728 1.00 0.00 C ATOM 395 CD2 TYR A 396 8.159 4.353 13.894 1.00 0.00 C ATOM 396 CE1 TYR A 396 9.063 1.854 14.775 1.00 0.00 C ATOM 397 CE2 TYR A 396 9.087 4.272 14.940 1.00 0.00 C ATOM 398 CZ TYR A 396 9.538 3.023 15.380 1.00 0.00 C ATOM 399 OH TYR A 396 10.452 2.944 16.411 1.00 0.00 O ATOM 0 H TYR A 396 4.674 3.430 10.744 1.00 0.00 H new ATOM 0 HA TYR A 396 5.262 1.900 13.027 1.00 0.00 H new ATOM 0 HB2 TYR A 396 6.954 2.573 11.365 1.00 0.00 H new ATOM 0 HB3 TYR A 396 6.690 4.268 11.726 1.00 0.00 H new ATOM 0 HD1 TYR A 396 7.770 1.031 13.261 1.00 0.00 H new ATOM 0 HD2 TYR A 396 7.810 5.317 13.556 1.00 0.00 H new ATOM 0 HE1 TYR A 396 9.411 0.890 15.116 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.454 5.174 15.407 1.00 0.00 H new ATOM 0 HH TYR A 396 10.678 3.847 16.717 1.00 0.00 H new ATOM 409 N PHE A 397 4.607 5.083 13.579 1.00 0.00 N ATOM 410 CA PHE A 397 4.280 6.049 14.626 1.00 0.00 C ATOM 411 C PHE A 397 3.077 5.582 15.441 1.00 0.00 C ATOM 412 O PHE A 397 3.098 5.611 16.671 1.00 0.00 O ATOM 413 CB PHE A 397 3.981 7.426 13.998 1.00 0.00 C ATOM 414 CG PHE A 397 5.274 8.159 13.707 1.00 0.00 C ATOM 415 CD1 PHE A 397 6.129 8.504 14.761 1.00 0.00 C ATOM 416 CD2 PHE A 397 5.626 8.489 12.386 1.00 0.00 C ATOM 417 CE1 PHE A 397 7.326 9.176 14.501 1.00 0.00 C ATOM 418 CE2 PHE A 397 6.825 9.159 12.130 1.00 0.00 C ATOM 419 CZ PHE A 397 7.675 9.502 13.186 1.00 0.00 C ATOM 0 H PHE A 397 4.542 5.447 12.629 1.00 0.00 H new ATOM 0 HA PHE A 397 5.138 6.133 15.293 1.00 0.00 H new ATOM 0 HB2 PHE A 397 3.412 7.298 13.077 1.00 0.00 H new ATOM 0 HB3 PHE A 397 3.364 8.017 14.675 1.00 0.00 H new ATOM 0 HD1 PHE A 397 5.863 8.250 15.776 1.00 0.00 H new ATOM 0 HD2 PHE A 397 4.970 8.225 11.570 1.00 0.00 H new ATOM 0 HE1 PHE A 397 7.982 9.444 15.316 1.00 0.00 H new ATOM 0 HE2 PHE A 397 7.096 9.412 11.116 1.00 0.00 H new ATOM 0 HZ PHE A 397 8.602 10.019 12.986 1.00 0.00 H new ATOM 429 N ILE A 398 2.032 5.158 14.748 1.00 0.00 N ATOM 430 CA ILE A 398 0.824 4.690 15.412 1.00 0.00 C ATOM 431 C ILE A 398 1.084 3.378 16.140 1.00 0.00 C ATOM 432 O ILE A 398 0.610 3.176 17.256 1.00 0.00 O ATOM 433 CB ILE A 398 -0.317 4.519 14.401 1.00 0.00 C ATOM 434 CG1 ILE A 398 -0.498 5.827 13.617 1.00 0.00 C ATOM 435 CG2 ILE A 398 -1.611 4.177 15.137 1.00 0.00 C ATOM 436 CD1 ILE A 398 -0.755 7.008 14.570 1.00 0.00 C ATOM 0 H ILE A 398 1.995 5.128 13.729 1.00 0.00 H new ATOM 0 HA ILE A 398 0.528 5.440 16.145 1.00 0.00 H new ATOM 0 HB ILE A 398 -0.075 3.710 13.711 1.00 0.00 H new ATOM 0 HG12 ILE A 398 0.392 6.024 13.020 1.00 0.00 H new ATOM 0 HG13 ILE A 398 -1.332 5.727 12.922 1.00 0.00 H new ATOM 0 HG21 ILE A 398 -2.419 4.056 14.415 1.00 0.00 H new ATOM 0 HG22 ILE A 398 -1.479 3.249 15.693 1.00 0.00 H new ATOM 0 HG23 ILE A 398 -1.860 4.982 15.829 1.00 0.00 H new ATOM 0 HD11 ILE A 398 -0.880 7.923 13.990 1.00 0.00 H new ATOM 0 HD12 ILE A 398 -1.659 6.819 15.148 1.00 0.00 H new ATOM 0 HD13 ILE A 398 0.092 7.120 15.247 1.00 0.00 H new ATOM 448 N GLY A 399 1.832 2.486 15.498 1.00 0.00 N ATOM 449 CA GLY A 399 2.136 1.197 16.091 1.00 0.00 C ATOM 450 C GLY A 399 2.933 1.366 17.372 1.00 0.00 C ATOM 451 O GLY A 399 2.774 0.597 18.321 1.00 0.00 O ATOM 0 H GLY A 399 2.235 2.635 14.573 1.00 0.00 H new ATOM 0 HA2 GLY A 399 1.210 0.661 16.302 1.00 0.00 H new ATOM 0 HA3 GLY A 399 2.701 0.591 15.383 1.00 0.00 H new ATOM 455 N LEU A 400 3.796 2.375 17.396 1.00 0.00 N ATOM 456 CA LEU A 400 4.618 2.629 18.569 1.00 0.00 C ATOM 457 C LEU A 400 3.746 2.965 19.775 1.00 0.00 C ATOM 458 O LEU A 400 4.003 2.501 20.886 1.00 0.00 O ATOM 459 CB LEU A 400 5.586 3.789 18.293 1.00 0.00 C ATOM 460 CG LEU A 400 6.436 4.077 19.542 1.00 0.00 C ATOM 461 CD1 LEU A 400 7.234 2.821 19.936 1.00 0.00 C ATOM 462 CD2 LEU A 400 7.398 5.233 19.245 1.00 0.00 C ATOM 0 H LEU A 400 3.943 3.024 16.623 1.00 0.00 H new ATOM 0 HA LEU A 400 5.188 1.727 18.789 1.00 0.00 H new ATOM 0 HB2 LEU A 400 6.234 3.540 17.452 1.00 0.00 H new ATOM 0 HB3 LEU A 400 5.026 4.681 18.011 1.00 0.00 H new ATOM 0 HG LEU A 400 5.782 4.352 20.369 1.00 0.00 H new ATOM 0 HD11 LEU A 400 7.833 3.034 20.821 1.00 0.00 H new ATOM 0 HD12 LEU A 400 6.545 2.005 20.152 1.00 0.00 H new ATOM 0 HD13 LEU A 400 7.890 2.534 19.114 1.00 0.00 H new ATOM 0 HD21 LEU A 400 8.002 5.440 20.128 1.00 0.00 H new ATOM 0 HD22 LEU A 400 8.050 4.960 18.415 1.00 0.00 H new ATOM 0 HD23 LEU A 400 6.827 6.123 18.980 1.00 0.00 H new ATOM 474 N LYS A 401 2.724 3.783 19.553 1.00 0.00 N ATOM 475 CA LYS A 401 1.833 4.184 20.632 1.00 0.00 C ATOM 476 C LYS A 401 1.064 2.980 21.161 1.00 0.00 C ATOM 477 O LYS A 401 0.552 2.175 20.386 1.00 0.00 O ATOM 478 CB LYS A 401 0.848 5.240 20.130 1.00 0.00 C ATOM 479 CG LYS A 401 0.015 5.761 21.303 1.00 0.00 C ATOM 480 CD LYS A 401 -0.932 6.855 20.810 1.00 0.00 C ATOM 481 CE LYS A 401 -1.755 7.387 21.984 1.00 0.00 C ATOM 482 NZ LYS A 401 -0.846 8.021 22.980 1.00 0.00 N ATOM 0 H LYS A 401 2.494 4.179 18.642 1.00 0.00 H new ATOM 0 HA LYS A 401 2.433 4.603 21.439 1.00 0.00 H new ATOM 0 HB2 LYS A 401 1.388 6.062 19.660 1.00 0.00 H new ATOM 0 HB3 LYS A 401 0.196 4.811 19.369 1.00 0.00 H new ATOM 0 HG2 LYS A 401 -0.555 4.946 21.749 1.00 0.00 H new ATOM 0 HG3 LYS A 401 0.669 6.155 22.081 1.00 0.00 H new ATOM 0 HD2 LYS A 401 -0.362 7.665 20.355 1.00 0.00 H new ATOM 0 HD3 LYS A 401 -1.593 6.458 20.039 1.00 0.00 H new ATOM 0 HE2 LYS A 401 -2.487 8.113 21.630 1.00 0.00 H new ATOM 0 HE3 LYS A 401 -2.312 6.574 22.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 -1.395 8.652 23.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 -0.391 7.283 23.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 -0.117 8.572 22.483 1.00 0.00 H new ATOM 496 N HIS A 402 0.989 2.861 22.484 1.00 0.00 N ATOM 497 CA HIS A 402 0.280 1.745 23.108 1.00 0.00 C ATOM 498 C HIS A 402 -0.393 2.193 24.399 1.00 0.00 C ATOM 499 O HIS A 402 0.149 3.011 25.143 1.00 0.00 O ATOM 500 CB HIS A 402 1.259 0.610 23.409 1.00 0.00 C ATOM 501 CG HIS A 402 0.489 -0.608 23.843 1.00 0.00 C ATOM 502 ND1 HIS A 402 0.067 -0.785 25.150 1.00 0.00 N ATOM 503 CD2 HIS A 402 0.059 -1.716 23.155 1.00 0.00 C ATOM 504 CE1 HIS A 402 -0.587 -1.959 25.210 1.00 0.00 C ATOM 505 NE2 HIS A 402 -0.621 -2.568 24.021 1.00 0.00 N ATOM 0 H HIS A 402 1.407 3.519 23.142 1.00 0.00 H new ATOM 0 HA HIS A 402 -0.485 1.392 22.417 1.00 0.00 H new ATOM 0 HB2 HIS A 402 1.853 0.383 22.524 1.00 0.00 H new ATOM 0 HB3 HIS A 402 1.955 0.912 24.191 1.00 0.00 H new ATOM 0 HD1 HIS A 402 0.224 -0.142 25.926 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.223 -1.898 22.103 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -1.030 -2.360 26.109 1.00 0.00 H new ATOM 514 N HIS A 403 -1.580 1.655 24.655 1.00 0.00 N ATOM 515 CA HIS A 403 -2.321 2.008 25.857 1.00 0.00 C ATOM 516 C HIS A 403 -1.725 1.298 27.070 1.00 0.00 C ATOM 517 O HIS A 403 -1.550 0.081 27.061 1.00 0.00 O ATOM 518 CB HIS A 403 -3.793 1.612 25.700 1.00 0.00 C ATOM 519 CG HIS A 403 -4.522 1.845 26.996 1.00 0.00 C ATOM 520 ND1 HIS A 403 -4.775 3.120 27.479 1.00 0.00 N ATOM 521 CD2 HIS A 403 -5.053 0.981 27.921 1.00 0.00 C ATOM 522 CE1 HIS A 403 -5.432 2.988 28.645 1.00 0.00 C ATOM 523 NE2 HIS A 403 -5.628 1.705 28.961 1.00 0.00 N ATOM 0 H HIS A 403 -2.046 0.978 24.051 1.00 0.00 H new ATOM 0 HA HIS A 403 -2.253 3.086 26.006 1.00 0.00 H new ATOM 0 HB2 HIS A 403 -4.253 2.195 24.903 1.00 0.00 H new ATOM 0 HB3 HIS A 403 -3.869 0.563 25.412 1.00 0.00 H new ATOM 0 HD2 HIS A 403 -5.028 -0.097 27.852 1.00 0.00 H new ATOM 0 HE1 HIS A 403 -5.761 3.818 29.252 1.00 0.00 H new ATOM 0 HE2 HIS A 403 -6.098 1.335 29.787 1.00 0.00 H new ATOM 532 N HIS A 404 -1.422 2.068 28.111 1.00 0.00 N ATOM 533 CA HIS A 404 -0.846 1.507 29.334 1.00 0.00 C ATOM 534 C HIS A 404 -1.927 1.316 30.393 1.00 0.00 C ATOM 535 O HIS A 404 -2.655 2.250 30.728 1.00 0.00 O ATOM 536 CB HIS A 404 0.238 2.441 29.873 1.00 0.00 C ATOM 537 CG HIS A 404 1.380 2.503 28.896 1.00 0.00 C ATOM 538 ND1 HIS A 404 2.365 1.528 28.848 1.00 0.00 N ATOM 539 CD2 HIS A 404 1.709 3.417 27.925 1.00 0.00 C ATOM 540 CE1 HIS A 404 3.231 1.874 27.879 1.00 0.00 C ATOM 541 NE2 HIS A 404 2.878 3.018 27.284 1.00 0.00 N ATOM 0 H HIS A 404 -1.564 3.078 28.135 1.00 0.00 H new ATOM 0 HA HIS A 404 -0.407 0.537 29.098 1.00 0.00 H new ATOM 0 HB2 HIS A 404 -0.173 3.438 30.032 1.00 0.00 H new ATOM 0 HB3 HIS A 404 0.592 2.084 30.840 1.00 0.00 H new ATOM 0 HD2 HIS A 404 1.146 4.309 27.694 1.00 0.00 H new ATOM 0 HE1 HIS A 404 4.105 1.298 27.614 1.00 0.00 H new ATOM 0 HE2 HIS A 404 3.362 3.496 26.524 1.00 0.00 H new ATOM 550 N ALA A 405 -2.026 0.097 30.911 1.00 0.00 N ATOM 551 CA ALA A 405 -3.020 -0.213 31.932 1.00 0.00 C ATOM 552 C ALA A 405 -2.569 0.306 33.293 1.00 0.00 C ATOM 553 O ALA A 405 -3.348 0.337 34.246 1.00 0.00 O ATOM 554 CB ALA A 405 -3.241 -1.725 32.008 1.00 0.00 C ATOM 0 H ALA A 405 -1.434 -0.689 30.643 1.00 0.00 H new ATOM 0 HA ALA A 405 -3.955 0.276 31.660 1.00 0.00 H new ATOM 0 HB1 ALA A 405 -3.985 -1.946 32.773 1.00 0.00 H new ATOM 0 HB2 ALA A 405 -3.593 -2.090 31.043 1.00 0.00 H new ATOM 0 HB3 ALA A 405 -2.302 -2.218 32.262 1.00 0.00 H new ATOM 560 N GLY A 406 -1.306 0.710 33.377 1.00 0.00 N ATOM 561 CA GLY A 406 -0.758 1.222 34.628 1.00 0.00 C ATOM 562 C GLY A 406 -1.474 2.497 35.057 1.00 0.00 C ATOM 563 O GLY A 406 -1.682 2.731 36.246 1.00 0.00 O ATOM 0 H GLY A 406 -0.646 0.693 32.599 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -0.855 0.466 35.408 1.00 0.00 H new ATOM 0 HA3 GLY A 406 0.307 1.422 34.508 1.00 0.00 H new ATOM 567 N TYR A 407 -1.851 3.319 34.081 1.00 0.00 N ATOM 568 CA TYR A 407 -2.550 4.576 34.361 1.00 0.00 C ATOM 569 C TYR A 407 -4.019 4.460 33.990 1.00 0.00 C ATOM 570 O TYR A 407 -4.363 3.933 32.934 1.00 0.00 O ATOM 571 CB TYR A 407 -1.913 5.716 33.568 1.00 0.00 C ATOM 572 CG TYR A 407 -0.528 5.990 34.108 1.00 0.00 C ATOM 573 CD1 TYR A 407 -0.374 6.668 35.324 1.00 0.00 C ATOM 574 CD2 TYR A 407 0.603 5.567 33.397 1.00 0.00 C ATOM 575 CE1 TYR A 407 0.906 6.922 35.828 1.00 0.00 C ATOM 576 CE2 TYR A 407 1.883 5.821 33.901 1.00 0.00 C ATOM 577 CZ TYR A 407 2.035 6.500 35.116 1.00 0.00 C ATOM 578 OH TYR A 407 3.298 6.751 35.611 1.00 0.00 O ATOM 0 H TYR A 407 -1.686 3.140 33.090 1.00 0.00 H new ATOM 0 HA TYR A 407 -2.469 4.786 35.427 1.00 0.00 H new ATOM 0 HB2 TYR A 407 -1.858 5.453 32.512 1.00 0.00 H new ATOM 0 HB3 TYR A 407 -2.528 6.613 33.641 1.00 0.00 H new ATOM 0 HD1 TYR A 407 -1.245 6.995 35.873 1.00 0.00 H new ATOM 0 HD2 TYR A 407 0.486 5.044 32.459 1.00 0.00 H new ATOM 0 HE1 TYR A 407 1.023 7.444 36.766 1.00 0.00 H new ATOM 0 HE2 TYR A 407 2.754 5.493 33.353 1.00 0.00 H new ATOM 0 HH TYR A 407 3.969 6.390 34.994 1.00 0.00 H new ATOM 588 N GLU A 408 -4.886 4.953 34.872 1.00 0.00 N ATOM 589 CA GLU A 408 -6.333 4.904 34.639 1.00 0.00 C ATOM 590 C GLU A 408 -6.974 6.238 34.985 1.00 0.00 C ATOM 591 O GLU A 408 -6.529 6.931 35.899 1.00 0.00 O ATOM 592 CB GLU A 408 -6.964 3.791 35.479 1.00 0.00 C ATOM 593 CG GLU A 408 -6.654 2.426 34.853 1.00 0.00 C ATOM 594 CD GLU A 408 -7.239 1.316 35.715 1.00 0.00 C ATOM 595 OE1 GLU A 408 -7.824 1.633 36.737 1.00 0.00 O ATOM 596 OE2 GLU A 408 -7.093 0.165 35.341 1.00 0.00 O ATOM 0 H GLU A 408 -4.616 5.390 35.753 1.00 0.00 H new ATOM 0 HA GLU A 408 -6.505 4.696 33.583 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -6.579 3.830 36.498 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -8.043 3.936 35.540 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -7.070 2.375 33.847 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -5.576 2.296 34.759 1.00 0.00 H new ATOM 603 N GLN A 409 -8.021 6.594 34.244 1.00 0.00 N ATOM 604 CA GLN A 409 -8.725 7.857 34.473 1.00 0.00 C ATOM 605 C GLN A 409 -10.226 7.618 34.552 1.00 0.00 C ATOM 606 O GLN A 409 -10.762 6.737 33.879 1.00 0.00 O ATOM 607 CB GLN A 409 -8.414 8.838 33.336 1.00 0.00 C ATOM 608 CG GLN A 409 -6.895 8.910 33.104 1.00 0.00 C ATOM 609 CD GLN A 409 -6.190 9.244 34.415 1.00 0.00 C ATOM 610 OE1 GLN A 409 -6.617 10.143 35.138 1.00 0.00 O ATOM 611 NE2 GLN A 409 -5.133 8.565 34.767 1.00 0.00 N ATOM 0 H GLN A 409 -8.400 6.030 33.483 1.00 0.00 H new ATOM 0 HA GLN A 409 -8.387 8.282 35.418 1.00 0.00 H new ATOM 0 HB2 GLN A 409 -8.915 8.519 32.422 1.00 0.00 H new ATOM 0 HB3 GLN A 409 -8.800 9.827 33.582 1.00 0.00 H new ATOM 0 HG2 GLN A 409 -6.531 7.958 32.716 1.00 0.00 H new ATOM 0 HG3 GLN A 409 -6.667 9.668 32.354 1.00 0.00 H new ATOM 0 HE21 GLN A 409 -4.782 7.820 34.165 1.00 0.00 H new ATOM 0 HE22 GLN A 409 -4.658 8.779 35.644 1.00 0.00 H new ATOM 620 N PHE A 410 -10.897 8.409 35.380 1.00 0.00 N ATOM 621 CA PHE A 410 -12.338 8.282 35.545 1.00 0.00 C ATOM 622 C PHE A 410 -12.728 6.816 35.714 1.00 0.00 C ATOM 623 O PHE A 410 -13.840 6.474 35.350 1.00 0.00 O ATOM 624 CB PHE A 410 -13.056 8.867 34.329 1.00 0.00 C ATOM 625 CG PHE A 410 -12.845 10.361 34.290 1.00 0.00 C ATOM 626 CD1 PHE A 410 -13.610 11.198 35.112 1.00 0.00 C ATOM 627 CD2 PHE A 410 -11.884 10.911 33.433 1.00 0.00 C ATOM 628 CE1 PHE A 410 -13.415 12.583 35.076 1.00 0.00 C ATOM 629 CE2 PHE A 410 -11.690 12.297 33.396 1.00 0.00 C ATOM 630 CZ PHE A 410 -12.455 13.134 34.219 1.00 0.00 C ATOM 631 OXT PHE A 410 -11.906 6.058 36.204 1.00 0.00 O ATOM 0 H PHE A 410 -10.468 9.142 35.945 1.00 0.00 H new ATOM 0 HA PHE A 410 -12.634 8.831 36.439 1.00 0.00 H new ATOM 0 HB2 PHE A 410 -12.676 8.411 33.415 1.00 0.00 H new ATOM 0 HB3 PHE A 410 -14.121 8.641 34.379 1.00 0.00 H new ATOM 0 HD1 PHE A 410 -14.351 10.774 35.774 1.00 0.00 H new ATOM 0 HD2 PHE A 410 -11.292 10.266 32.800 1.00 0.00 H new ATOM 0 HE1 PHE A 410 -14.006 13.228 35.710 1.00 0.00 H new ATOM 0 HE2 PHE A 410 -10.951 12.721 32.733 1.00 0.00 H new ATOM 0 HZ PHE A 410 -12.304 14.203 34.192 1.00 0.00 H new TER 641 PHE A 410