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 Single : A 369 SER OG : rot 30:sc= 0.169 USER MOD Single : A 374 ASN : amide:sc=-0.00574 K(o=-0.0057,f=-1.7!) 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) USER MOD Single : A 403 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 404 HIS : no HD1:sc=-0.00145 X(o=-0.0014,f=-0.12) USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 409 GLN : amide:sc= -4! C(o=-4!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 369 -0.206 10.223 -26.478 1.00 0.00 N ATOM 2 CA SER A 369 1.059 9.445 -26.613 1.00 0.00 C ATOM 3 C SER A 369 2.223 10.274 -26.084 1.00 0.00 C ATOM 4 O SER A 369 3.383 9.989 -26.369 1.00 0.00 O ATOM 5 CB SER A 369 1.286 9.103 -28.086 1.00 0.00 C ATOM 6 OG SER A 369 0.147 8.420 -28.591 1.00 0.00 O ATOM 0 HA SER A 369 0.989 8.522 -26.037 1.00 0.00 H new ATOM 0 HB2 SER A 369 1.462 10.013 -28.659 1.00 0.00 H new ATOM 0 HB3 SER A 369 2.175 8.481 -28.194 1.00 0.00 H new ATOM 0 HG SER A 369 -0.654 8.721 -28.113 1.00 0.00 H new ATOM 14 N ALA A 370 1.900 11.302 -25.314 1.00 0.00 N ATOM 15 CA ALA A 370 2.926 12.174 -24.745 1.00 0.00 C ATOM 16 C ALA A 370 3.794 11.407 -23.753 1.00 0.00 C ATOM 17 O ALA A 370 5.002 11.630 -23.667 1.00 0.00 O ATOM 18 CB ALA A 370 2.274 13.366 -24.039 1.00 0.00 C ATOM 0 H ALA A 370 0.943 11.555 -25.068 1.00 0.00 H new ATOM 0 HA ALA A 370 3.555 12.535 -25.558 1.00 0.00 H new ATOM 0 HB1 ALA A 370 3.048 14.008 -23.619 1.00 0.00 H new ATOM 0 HB2 ALA A 370 1.681 13.934 -24.756 1.00 0.00 H new ATOM 0 HB3 ALA A 370 1.628 13.006 -23.238 1.00 0.00 H new ATOM 24 N ASP A 371 3.169 10.508 -22.998 1.00 0.00 N ATOM 25 CA ASP A 371 3.893 9.714 -22.007 1.00 0.00 C ATOM 26 C ASP A 371 4.434 8.435 -22.636 1.00 0.00 C ATOM 27 O ASP A 371 5.099 7.641 -21.972 1.00 0.00 O ATOM 28 CB ASP A 371 2.961 9.361 -20.845 1.00 0.00 C ATOM 29 CG ASP A 371 1.701 8.684 -21.373 1.00 0.00 C ATOM 30 OD1 ASP A 371 1.684 8.337 -22.542 1.00 0.00 O ATOM 31 OD2 ASP A 371 0.771 8.526 -20.600 1.00 0.00 O ATOM 0 H ASP A 371 2.170 10.311 -23.052 1.00 0.00 H new ATOM 0 HA ASP A 371 4.732 10.303 -21.636 1.00 0.00 H new ATOM 0 HB2 ASP A 371 3.473 8.700 -20.146 1.00 0.00 H new ATOM 0 HB3 ASP A 371 2.695 10.263 -20.294 1.00 0.00 H new ATOM 36 N ASP A 372 4.147 8.243 -23.918 1.00 0.00 N ATOM 37 CA ASP A 372 4.614 7.057 -24.626 1.00 0.00 C ATOM 38 C ASP A 372 6.138 7.045 -24.701 1.00 0.00 C ATOM 39 O ASP A 372 6.765 5.989 -24.620 1.00 0.00 O ATOM 40 CB ASP A 372 4.029 7.025 -26.040 1.00 0.00 C ATOM 41 CG ASP A 372 4.471 5.756 -26.760 1.00 0.00 C ATOM 42 OD1 ASP A 372 5.292 5.041 -26.210 1.00 0.00 O ATOM 43 OD2 ASP A 372 3.980 5.516 -27.850 1.00 0.00 O ATOM 0 H ASP A 372 3.597 8.888 -24.485 1.00 0.00 H new ATOM 0 HA ASP A 372 4.281 6.175 -24.078 1.00 0.00 H new ATOM 0 HB2 ASP A 372 2.941 7.066 -25.993 1.00 0.00 H new ATOM 0 HB3 ASP A 372 4.357 7.902 -26.598 1.00 0.00 H new ATOM 48 N ASP A 373 6.728 8.225 -24.860 1.00 0.00 N ATOM 49 CA ASP A 373 8.178 8.336 -24.946 1.00 0.00 C ATOM 50 C ASP A 373 8.815 8.087 -23.583 1.00 0.00 C ATOM 51 O ASP A 373 8.264 8.472 -22.553 1.00 0.00 O ATOM 52 CB ASP A 373 8.567 9.728 -25.449 1.00 0.00 C ATOM 53 CG ASP A 373 8.166 9.885 -26.912 1.00 0.00 C ATOM 54 OD1 ASP A 373 7.871 8.879 -27.536 1.00 0.00 O ATOM 55 OD2 ASP A 373 8.160 11.009 -27.387 1.00 0.00 O ATOM 0 H ASP A 373 6.228 9.111 -24.931 1.00 0.00 H new ATOM 0 HA ASP A 373 8.541 7.584 -25.646 1.00 0.00 H new ATOM 0 HB2 ASP A 373 8.077 10.492 -24.845 1.00 0.00 H new ATOM 0 HB3 ASP A 373 9.641 9.876 -25.340 1.00 0.00 H new ATOM 60 N ASN A 374 9.975 7.441 -23.588 1.00 0.00 N ATOM 61 CA ASN A 374 10.686 7.146 -22.349 1.00 0.00 C ATOM 62 C ASN A 374 9.789 6.366 -21.391 1.00 0.00 C ATOM 63 O ASN A 374 9.872 6.529 -20.174 1.00 0.00 O ATOM 64 CB ASN A 374 11.135 8.447 -21.681 1.00 0.00 C ATOM 65 CG ASN A 374 12.212 9.120 -22.524 1.00 0.00 C ATOM 66 OD1 ASN A 374 12.852 8.470 -23.351 1.00 0.00 O ATOM 67 ND2 ASN A 374 12.448 10.394 -22.367 1.00 0.00 N ATOM 0 H ASN A 374 10.442 7.112 -24.433 1.00 0.00 H new ATOM 0 HA ASN A 374 11.560 6.540 -22.589 1.00 0.00 H new ATOM 0 HB2 ASN A 374 10.284 9.117 -21.561 1.00 0.00 H new ATOM 0 HB3 ASN A 374 11.520 8.239 -20.683 1.00 0.00 H new ATOM 0 HD21 ASN A 374 13.164 10.853 -22.930 1.00 0.00 H new ATOM 0 HD22 ASN A 374 11.917 10.930 -21.681 1.00 0.00 H new ATOM 74 N PHE A 375 8.933 5.518 -21.949 1.00 0.00 N ATOM 75 CA PHE A 375 8.024 4.716 -21.139 1.00 0.00 C ATOM 76 C PHE A 375 8.809 3.799 -20.206 1.00 0.00 C ATOM 77 O PHE A 375 8.454 3.635 -19.039 1.00 0.00 O ATOM 78 CB PHE A 375 7.111 3.884 -22.044 1.00 0.00 C ATOM 79 CG PHE A 375 6.069 3.180 -21.203 1.00 0.00 C ATOM 80 CD1 PHE A 375 5.097 3.929 -20.525 1.00 0.00 C ATOM 81 CD2 PHE A 375 6.070 1.784 -21.102 1.00 0.00 C ATOM 82 CE1 PHE A 375 4.130 3.279 -19.748 1.00 0.00 C ATOM 83 CE2 PHE A 375 5.106 1.135 -20.326 1.00 0.00 C ATOM 84 CZ PHE A 375 4.135 1.881 -19.649 1.00 0.00 C ATOM 0 H PHE A 375 8.849 5.368 -22.954 1.00 0.00 H new ATOM 0 HA PHE A 375 7.413 5.387 -20.535 1.00 0.00 H new ATOM 0 HB2 PHE A 375 6.626 4.527 -22.779 1.00 0.00 H new ATOM 0 HB3 PHE A 375 7.700 3.153 -22.599 1.00 0.00 H new ATOM 0 HD1 PHE A 375 5.094 5.006 -20.602 1.00 0.00 H new ATOM 0 HD2 PHE A 375 6.818 1.207 -21.625 1.00 0.00 H new ATOM 0 HE1 PHE A 375 3.381 3.855 -19.225 1.00 0.00 H new ATOM 0 HE2 PHE A 375 5.110 0.058 -20.249 1.00 0.00 H new ATOM 0 HZ PHE A 375 3.389 1.379 -19.050 1.00 0.00 H new ATOM 94 N LEU A 376 9.871 3.194 -20.729 1.00 0.00 N ATOM 95 CA LEU A 376 10.688 2.289 -19.929 1.00 0.00 C ATOM 96 C LEU A 376 11.405 3.054 -18.823 1.00 0.00 C ATOM 97 O LEU A 376 11.913 4.154 -19.042 1.00 0.00 O ATOM 98 CB LEU A 376 11.723 1.590 -20.820 1.00 0.00 C ATOM 99 CG LEU A 376 11.041 0.487 -21.632 1.00 0.00 C ATOM 100 CD1 LEU A 376 10.004 1.106 -22.575 1.00 0.00 C ATOM 101 CD2 LEU A 376 12.092 -0.265 -22.450 1.00 0.00 C ATOM 0 H LEU A 376 10.183 3.312 -21.693 1.00 0.00 H new ATOM 0 HA LEU A 376 10.034 1.543 -19.478 1.00 0.00 H new ATOM 0 HB2 LEU A 376 12.189 2.313 -21.490 1.00 0.00 H new ATOM 0 HB3 LEU A 376 12.518 1.165 -20.207 1.00 0.00 H new ATOM 0 HG LEU A 376 10.542 -0.206 -20.954 1.00 0.00 H new ATOM 0 HD11 LEU A 376 9.520 0.318 -23.152 1.00 0.00 H new ATOM 0 HD12 LEU A 376 9.255 1.640 -21.991 1.00 0.00 H new ATOM 0 HD13 LEU A 376 10.498 1.801 -23.254 1.00 0.00 H new ATOM 0 HD21 LEU A 376 11.608 -1.051 -23.029 1.00 0.00 H new ATOM 0 HD22 LEU A 376 12.592 0.429 -23.126 1.00 0.00 H new ATOM 0 HD23 LEU A 376 12.827 -0.709 -21.778 1.00 0.00 H new ATOM 113 N VAL A 377 11.438 2.463 -17.634 1.00 0.00 N ATOM 114 CA VAL A 377 12.093 3.097 -16.496 1.00 0.00 C ATOM 115 C VAL A 377 11.537 4.501 -16.277 1.00 0.00 C ATOM 116 O VAL A 377 12.272 5.488 -16.335 1.00 0.00 O ATOM 117 CB VAL A 377 13.597 3.171 -16.737 1.00 0.00 C ATOM 118 CG1 VAL A 377 14.309 3.504 -15.425 1.00 0.00 C ATOM 119 CG2 VAL A 377 14.094 1.821 -17.258 1.00 0.00 C ATOM 0 H VAL A 377 11.023 1.553 -17.434 1.00 0.00 H new ATOM 0 HA VAL A 377 11.900 2.499 -15.605 1.00 0.00 H new ATOM 0 HB VAL A 377 13.810 3.947 -17.472 1.00 0.00 H new ATOM 0 HG11 VAL A 377 15.384 3.557 -15.598 1.00 0.00 H new ATOM 0 HG12 VAL A 377 13.954 4.465 -15.052 1.00 0.00 H new ATOM 0 HG13 VAL A 377 14.097 2.728 -14.689 1.00 0.00 H new ATOM 0 HG21 VAL A 377 15.169 1.871 -17.431 1.00 0.00 H new ATOM 0 HG22 VAL A 377 13.881 1.046 -16.522 1.00 0.00 H new ATOM 0 HG23 VAL A 377 13.587 1.583 -18.193 1.00 0.00 H new ATOM 129 N PRO A 378 10.257 4.604 -16.030 1.00 0.00 N ATOM 130 CA PRO A 378 9.582 5.914 -15.798 1.00 0.00 C ATOM 131 C PRO A 378 9.927 6.505 -14.433 1.00 0.00 C ATOM 132 O PRO A 378 10.175 5.773 -13.478 1.00 0.00 O ATOM 133 CB PRO A 378 8.088 5.573 -15.905 1.00 0.00 C ATOM 134 CG PRO A 378 7.991 4.127 -15.521 1.00 0.00 C ATOM 135 CD PRO A 378 9.314 3.476 -15.941 1.00 0.00 C ATOM 0 HA PRO A 378 9.896 6.675 -16.512 1.00 0.00 H new ATOM 0 HB2 PRO A 378 7.492 6.199 -15.241 1.00 0.00 H new ATOM 0 HB3 PRO A 378 7.717 5.738 -16.916 1.00 0.00 H new ATOM 0 HG2 PRO A 378 7.829 4.020 -14.448 1.00 0.00 H new ATOM 0 HG3 PRO A 378 7.148 3.649 -16.019 1.00 0.00 H new ATOM 0 HD2 PRO A 378 9.644 2.737 -15.211 1.00 0.00 H new ATOM 0 HD3 PRO A 378 9.219 2.960 -16.896 1.00 0.00 H new ATOM 143 N ILE A 379 9.922 7.829 -14.350 1.00 0.00 N ATOM 144 CA ILE A 379 10.224 8.510 -13.096 1.00 0.00 C ATOM 145 C ILE A 379 9.171 8.180 -12.042 1.00 0.00 C ATOM 146 O ILE A 379 9.497 7.938 -10.880 1.00 0.00 O ATOM 147 CB ILE A 379 10.270 10.023 -13.319 1.00 0.00 C ATOM 148 CG1 ILE A 379 11.463 10.365 -14.212 1.00 0.00 C ATOM 149 CG2 ILE A 379 10.426 10.734 -11.970 1.00 0.00 C ATOM 150 CD1 ILE A 379 11.378 11.833 -14.635 1.00 0.00 C ATOM 0 H ILE A 379 9.713 8.451 -15.131 1.00 0.00 H new ATOM 0 HA ILE A 379 11.197 8.167 -12.743 1.00 0.00 H new ATOM 0 HB ILE A 379 9.347 10.350 -13.798 1.00 0.00 H new ATOM 0 HG12 ILE A 379 12.395 10.183 -13.677 1.00 0.00 H new ATOM 0 HG13 ILE A 379 11.469 9.722 -15.092 1.00 0.00 H new ATOM 0 HG21 ILE A 379 10.459 11.812 -12.128 1.00 0.00 H new ATOM 0 HG22 ILE A 379 9.580 10.487 -11.329 1.00 0.00 H new ATOM 0 HG23 ILE A 379 11.350 10.409 -11.492 1.00 0.00 H new ATOM 0 HD11 ILE A 379 12.228 12.078 -15.272 1.00 0.00 H new ATOM 0 HD12 ILE A 379 10.452 12.000 -15.186 1.00 0.00 H new ATOM 0 HD13 ILE A 379 11.393 12.468 -13.749 1.00 0.00 H new ATOM 162 N ALA A 380 7.910 8.185 -12.453 1.00 0.00 N ATOM 163 CA ALA A 380 6.814 7.891 -11.537 1.00 0.00 C ATOM 164 C ALA A 380 7.166 6.702 -10.646 1.00 0.00 C ATOM 165 O ALA A 380 6.561 6.506 -9.591 1.00 0.00 O ATOM 166 CB ALA A 380 5.527 7.596 -12.324 1.00 0.00 C ATOM 0 H ALA A 380 7.621 8.388 -13.410 1.00 0.00 H new ATOM 0 HA ALA A 380 6.650 8.764 -10.905 1.00 0.00 H new ATOM 0 HB1 ALA A 380 4.717 7.378 -11.628 1.00 0.00 H new ATOM 0 HB2 ALA A 380 5.263 8.464 -12.928 1.00 0.00 H new ATOM 0 HB3 ALA A 380 5.687 6.736 -12.975 1.00 0.00 H new ATOM 172 N VAL A 381 8.138 5.901 -11.084 1.00 0.00 N ATOM 173 CA VAL A 381 8.538 4.730 -10.325 1.00 0.00 C ATOM 174 C VAL A 381 9.012 5.137 -8.934 1.00 0.00 C ATOM 175 O VAL A 381 8.659 4.507 -7.939 1.00 0.00 O ATOM 176 CB VAL A 381 9.668 4.004 -11.059 1.00 0.00 C ATOM 177 CG1 VAL A 381 10.941 4.858 -11.020 1.00 0.00 C ATOM 178 CG2 VAL A 381 9.934 2.658 -10.379 1.00 0.00 C ATOM 0 H VAL A 381 8.654 6.044 -11.952 1.00 0.00 H new ATOM 0 HA VAL A 381 7.680 4.065 -10.225 1.00 0.00 H new ATOM 0 HB VAL A 381 9.378 3.838 -12.096 1.00 0.00 H new ATOM 0 HG11 VAL A 381 11.744 4.339 -11.543 1.00 0.00 H new ATOM 0 HG12 VAL A 381 10.752 5.816 -11.505 1.00 0.00 H new ATOM 0 HG13 VAL A 381 11.234 5.028 -9.984 1.00 0.00 H new ATOM 0 HG21 VAL A 381 10.739 2.140 -10.901 1.00 0.00 H new ATOM 0 HG22 VAL A 381 10.223 2.825 -9.341 1.00 0.00 H new ATOM 0 HG23 VAL A 381 9.030 2.050 -10.410 1.00 0.00 H new ATOM 188 N GLY A 382 9.816 6.194 -8.876 1.00 0.00 N ATOM 189 CA GLY A 382 10.336 6.676 -7.603 1.00 0.00 C ATOM 190 C GLY A 382 9.211 7.211 -6.724 1.00 0.00 C ATOM 191 O GLY A 382 9.223 7.032 -5.506 1.00 0.00 O ATOM 0 H GLY A 382 10.119 6.729 -9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 382 10.853 5.867 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 382 11.070 7.462 -7.780 1.00 0.00 H new ATOM 195 N ALA A 383 8.241 7.870 -7.349 1.00 0.00 N ATOM 196 CA ALA A 383 7.112 8.429 -6.614 1.00 0.00 C ATOM 197 C ALA A 383 6.302 7.318 -5.956 1.00 0.00 C ATOM 198 O ALA A 383 5.841 7.461 -4.824 1.00 0.00 O ATOM 199 CB ALA A 383 6.215 9.228 -7.560 1.00 0.00 C ATOM 0 H ALA A 383 8.213 8.030 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 383 7.498 9.091 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.375 9.641 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 383 6.789 10.040 -8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.841 8.573 -8.347 1.00 0.00 H new ATOM 205 N ALA A 384 6.135 6.211 -6.671 1.00 0.00 N ATOM 206 CA ALA A 384 5.379 5.080 -6.144 1.00 0.00 C ATOM 207 C ALA A 384 6.041 4.535 -4.886 1.00 0.00 C ATOM 208 O ALA A 384 5.383 4.308 -3.871 1.00 0.00 O ATOM 209 CB ALA A 384 5.295 3.973 -7.197 1.00 0.00 C ATOM 0 H ALA A 384 6.509 6.072 -7.610 1.00 0.00 H new ATOM 0 HA ALA A 384 4.375 5.422 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 384 4.729 3.132 -6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 384 4.796 4.355 -8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 384 6.300 3.642 -7.458 1.00 0.00 H new ATOM 215 N LEU A 385 7.349 4.343 -4.955 1.00 0.00 N ATOM 216 CA LEU A 385 8.097 3.838 -3.806 1.00 0.00 C ATOM 217 C LEU A 385 8.116 4.853 -2.672 1.00 0.00 C ATOM 218 O LEU A 385 8.022 4.487 -1.500 1.00 0.00 O ATOM 219 CB LEU A 385 9.534 3.484 -4.229 1.00 0.00 C ATOM 220 CG LEU A 385 9.599 2.020 -4.717 1.00 0.00 C ATOM 221 CD1 LEU A 385 10.759 1.858 -5.694 1.00 0.00 C ATOM 222 CD2 LEU A 385 9.811 1.099 -3.510 1.00 0.00 C ATOM 0 H LEU A 385 7.914 4.526 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 385 7.598 2.939 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 385 9.863 4.155 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 385 10.214 3.626 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 385 8.668 1.758 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 385 10.804 0.825 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 385 10.610 2.518 -6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 385 11.693 2.115 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 385 9.858 0.063 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 385 10.744 1.361 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 385 8.982 1.217 -2.812 1.00 0.00 H new ATOM 234 N ALA A 386 8.268 6.118 -3.029 1.00 0.00 N ATOM 235 CA ALA A 386 8.321 7.178 -2.035 1.00 0.00 C ATOM 236 C ALA A 386 6.995 7.283 -1.294 1.00 0.00 C ATOM 237 O ALA A 386 6.961 7.534 -0.090 1.00 0.00 O ATOM 238 CB ALA A 386 8.642 8.511 -2.709 1.00 0.00 C ATOM 0 H ALA A 386 8.356 6.435 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 386 9.106 6.939 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 386 8.680 9.299 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 386 9.607 8.442 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 386 7.868 8.744 -3.441 1.00 0.00 H new ATOM 244 N GLY A 387 5.900 7.097 -2.026 1.00 0.00 N ATOM 245 CA GLY A 387 4.569 7.178 -1.433 1.00 0.00 C ATOM 246 C GLY A 387 4.352 6.073 -0.409 1.00 0.00 C ATOM 247 O GLY A 387 3.797 6.305 0.664 1.00 0.00 O ATOM 0 H GLY A 387 5.908 6.890 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 387 4.440 8.149 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 387 3.814 7.104 -2.216 1.00 0.00 H new ATOM 251 N VAL A 388 4.785 4.866 -0.754 1.00 0.00 N ATOM 252 CA VAL A 388 4.634 3.723 0.135 1.00 0.00 C ATOM 253 C VAL A 388 5.534 3.867 1.354 1.00 0.00 C ATOM 254 O VAL A 388 5.138 3.553 2.475 1.00 0.00 O ATOM 255 CB VAL A 388 4.971 2.429 -0.606 1.00 0.00 C ATOM 256 CG1 VAL A 388 4.815 1.240 0.346 1.00 0.00 C ATOM 257 CG2 VAL A 388 4.023 2.258 -1.794 1.00 0.00 C ATOM 0 H VAL A 388 5.242 4.655 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 388 3.597 3.685 0.469 1.00 0.00 H new ATOM 0 HB VAL A 388 5.999 2.475 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 388 5.055 0.317 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.491 1.360 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 388 3.787 1.195 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 388 4.264 1.335 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 388 2.995 2.213 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 388 4.134 3.104 -2.473 1.00 0.00 H new ATOM 267 N LEU A 389 6.757 4.323 1.122 1.00 0.00 N ATOM 268 CA LEU A 389 7.717 4.480 2.200 1.00 0.00 C ATOM 269 C LEU A 389 7.178 5.421 3.273 1.00 0.00 C ATOM 270 O LEU A 389 7.347 5.176 4.474 1.00 0.00 O ATOM 271 CB LEU A 389 9.039 5.028 1.646 1.00 0.00 C ATOM 272 CG LEU A 389 10.084 5.125 2.789 1.00 0.00 C ATOM 273 CD1 LEU A 389 11.438 4.619 2.288 1.00 0.00 C ATOM 274 CD2 LEU A 389 10.221 6.584 3.241 1.00 0.00 C ATOM 0 H LEU A 389 7.105 4.589 0.201 1.00 0.00 H new ATOM 0 HA LEU A 389 7.890 3.503 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 389 9.411 4.377 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 389 8.879 6.010 1.202 1.00 0.00 H new ATOM 0 HG LEU A 389 9.755 4.515 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 389 12.172 4.687 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 389 11.343 3.581 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 389 11.765 5.228 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 389 10.956 6.649 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 389 10.547 7.196 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 389 9.258 6.945 3.601 1.00 0.00 H new ATOM 286 N ILE A 390 6.512 6.482 2.837 1.00 0.00 N ATOM 287 CA ILE A 390 5.929 7.441 3.757 1.00 0.00 C ATOM 288 C ILE A 390 4.752 6.831 4.507 1.00 0.00 C ATOM 289 O ILE A 390 4.572 7.071 5.699 1.00 0.00 O ATOM 290 CB ILE A 390 5.484 8.686 2.996 1.00 0.00 C ATOM 291 CG1 ILE A 390 6.718 9.430 2.457 1.00 0.00 C ATOM 292 CG2 ILE A 390 4.704 9.612 3.935 1.00 0.00 C ATOM 293 CD1 ILE A 390 6.282 10.551 1.508 1.00 0.00 C ATOM 0 H ILE A 390 6.364 6.698 1.851 1.00 0.00 H new ATOM 0 HA ILE A 390 6.686 7.721 4.489 1.00 0.00 H new ATOM 0 HB ILE A 390 4.845 8.389 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 390 7.292 9.846 3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 390 7.373 8.733 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 390 4.387 10.501 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 390 3.827 9.089 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 390 5.342 9.906 4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 390 7.162 11.072 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 390 5.727 10.125 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 390 5.646 11.255 2.044 1.00 0.00 H new ATOM 305 N LEU A 391 3.928 6.075 3.791 1.00 0.00 N ATOM 306 CA LEU A 391 2.754 5.471 4.404 1.00 0.00 C ATOM 307 C LEU A 391 3.170 4.523 5.516 1.00 0.00 C ATOM 308 O LEU A 391 2.527 4.457 6.563 1.00 0.00 O ATOM 309 CB LEU A 391 1.941 4.712 3.348 1.00 0.00 C ATOM 310 CG LEU A 391 1.091 5.712 2.535 1.00 0.00 C ATOM 311 CD1 LEU A 391 0.820 5.144 1.143 1.00 0.00 C ATOM 312 CD2 LEU A 391 -0.244 5.949 3.253 1.00 0.00 C ATOM 0 H LEU A 391 4.049 5.868 2.800 1.00 0.00 H new ATOM 0 HA LEU A 391 2.136 6.262 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 391 2.609 4.163 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 391 1.296 3.977 3.829 1.00 0.00 H new ATOM 0 HG LEU A 391 1.632 6.654 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 391 0.220 5.852 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 391 1.766 4.973 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 391 0.280 4.201 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -0.845 6.655 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -0.781 5.005 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -0.056 6.356 4.247 1.00 0.00 H new ATOM 324 N VAL A 392 4.246 3.788 5.278 1.00 0.00 N ATOM 325 CA VAL A 392 4.749 2.844 6.263 1.00 0.00 C ATOM 326 C VAL A 392 5.196 3.585 7.515 1.00 0.00 C ATOM 327 O VAL A 392 4.988 3.119 8.636 1.00 0.00 O ATOM 328 CB VAL A 392 5.917 2.044 5.688 1.00 0.00 C ATOM 329 CG1 VAL A 392 6.506 1.142 6.775 1.00 0.00 C ATOM 330 CG2 VAL A 392 5.419 1.178 4.525 1.00 0.00 C ATOM 0 H VAL A 392 4.786 3.827 4.414 1.00 0.00 H new ATOM 0 HA VAL A 392 3.947 2.154 6.523 1.00 0.00 H new ATOM 0 HB VAL A 392 6.684 2.731 5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.339 0.572 6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 392 6.860 1.755 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 392 5.739 0.456 7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 392 6.252 0.607 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 392 4.651 0.493 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 392 5.000 1.818 3.749 1.00 0.00 H new ATOM 340 N LEU A 393 5.824 4.734 7.315 1.00 0.00 N ATOM 341 CA LEU A 393 6.307 5.527 8.440 1.00 0.00 C ATOM 342 C LEU A 393 5.151 5.925 9.339 1.00 0.00 C ATOM 343 O LEU A 393 5.273 5.911 10.565 1.00 0.00 O ATOM 344 CB LEU A 393 7.015 6.794 7.925 1.00 0.00 C ATOM 345 CG LEU A 393 8.505 6.498 7.661 1.00 0.00 C ATOM 346 CD1 LEU A 393 9.035 7.451 6.590 1.00 0.00 C ATOM 347 CD2 LEU A 393 9.294 6.701 8.961 1.00 0.00 C ATOM 0 H LEU A 393 6.011 5.136 6.396 1.00 0.00 H new ATOM 0 HA LEU A 393 7.012 4.924 9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 393 6.537 7.140 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 393 6.920 7.596 8.657 1.00 0.00 H new ATOM 0 HG LEU A 393 8.619 5.470 7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 393 10.088 7.240 6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.470 7.313 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 393 8.926 8.480 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 393 10.349 6.493 8.782 1.00 0.00 H new ATOM 0 HD22 LEU A 393 9.179 7.731 9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 393 8.915 6.023 9.726 1.00 0.00 H new ATOM 359 N LEU A 394 4.040 6.282 8.723 1.00 0.00 N ATOM 360 CA LEU A 394 2.870 6.686 9.472 1.00 0.00 C ATOM 361 C LEU A 394 2.382 5.541 10.353 1.00 0.00 C ATOM 362 O LEU A 394 2.030 5.746 11.514 1.00 0.00 O ATOM 363 CB LEU A 394 1.761 7.096 8.506 1.00 0.00 C ATOM 364 CG LEU A 394 0.500 7.518 9.300 1.00 0.00 C ATOM 365 CD1 LEU A 394 -0.094 8.789 8.690 1.00 0.00 C ATOM 366 CD2 LEU A 394 -0.544 6.393 9.245 1.00 0.00 C ATOM 0 H LEU A 394 3.925 6.300 7.710 1.00 0.00 H new ATOM 0 HA LEU A 394 3.134 7.531 10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 394 2.100 7.921 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 394 1.522 6.267 7.840 1.00 0.00 H new ATOM 0 HG LEU A 394 0.778 7.709 10.337 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -0.981 9.082 9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 394 0.643 9.591 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -0.368 8.601 7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -1.431 6.692 9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -0.817 6.201 8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -0.126 5.487 9.684 1.00 0.00 H new ATOM 378 N ALA A 395 2.365 4.338 9.789 1.00 0.00 N ATOM 379 CA ALA A 395 1.922 3.163 10.532 1.00 0.00 C ATOM 380 C ALA A 395 2.889 2.854 11.673 1.00 0.00 C ATOM 381 O ALA A 395 2.473 2.466 12.764 1.00 0.00 O ATOM 382 CB ALA A 395 1.833 1.957 9.595 1.00 0.00 C ATOM 0 H ALA A 395 2.650 4.151 8.828 1.00 0.00 H new ATOM 0 HA ALA A 395 0.938 3.371 10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 395 1.502 1.084 10.157 1.00 0.00 H new ATOM 0 HB2 ALA A 395 1.120 2.168 8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 395 2.814 1.759 9.162 1.00 0.00 H new ATOM 388 N TYR A 396 4.182 3.029 11.412 1.00 0.00 N ATOM 389 CA TYR A 396 5.200 2.765 12.424 1.00 0.00 C ATOM 390 C TYR A 396 4.988 3.660 13.641 1.00 0.00 C ATOM 391 O TYR A 396 5.089 3.209 14.781 1.00 0.00 O ATOM 392 CB TYR A 396 6.592 3.008 11.839 1.00 0.00 C ATOM 393 CG TYR A 396 7.635 2.821 12.916 1.00 0.00 C ATOM 394 CD1 TYR A 396 8.123 1.541 13.204 1.00 0.00 C ATOM 395 CD2 TYR A 396 8.112 3.929 13.626 1.00 0.00 C ATOM 396 CE1 TYR A 396 9.089 1.369 14.203 1.00 0.00 C ATOM 397 CE2 TYR A 396 9.079 3.757 14.624 1.00 0.00 C ATOM 398 CZ TYR A 396 9.567 2.476 14.913 1.00 0.00 C ATOM 399 OH TYR A 396 10.520 2.308 15.897 1.00 0.00 O ATOM 0 H TYR A 396 4.547 3.350 10.515 1.00 0.00 H new ATOM 0 HA TYR A 396 5.117 1.724 12.736 1.00 0.00 H new ATOM 0 HB2 TYR A 396 6.777 2.318 11.016 1.00 0.00 H new ATOM 0 HB3 TYR A 396 6.654 4.016 11.430 1.00 0.00 H new ATOM 0 HD1 TYR A 396 7.755 0.686 12.656 1.00 0.00 H new ATOM 0 HD2 TYR A 396 7.734 4.916 13.404 1.00 0.00 H new ATOM 0 HE1 TYR A 396 9.465 0.381 14.426 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.449 4.612 15.171 1.00 0.00 H new ATOM 0 HH TYR A 396 10.742 3.178 16.290 1.00 0.00 H new ATOM 409 N PHE A 397 4.696 4.925 13.390 1.00 0.00 N ATOM 410 CA PHE A 397 4.471 5.876 14.476 1.00 0.00 C ATOM 411 C PHE A 397 3.273 5.464 15.319 1.00 0.00 C ATOM 412 O PHE A 397 3.331 5.492 16.548 1.00 0.00 O ATOM 413 CB PHE A 397 4.240 7.287 13.905 1.00 0.00 C ATOM 414 CG PHE A 397 5.568 7.934 13.570 1.00 0.00 C ATOM 415 CD1 PHE A 397 6.498 8.180 14.592 1.00 0.00 C ATOM 416 CD2 PHE A 397 5.872 8.283 12.247 1.00 0.00 C ATOM 417 CE1 PHE A 397 7.726 8.773 14.289 1.00 0.00 C ATOM 418 CE2 PHE A 397 7.100 8.873 11.948 1.00 0.00 C ATOM 419 CZ PHE A 397 8.028 9.118 12.968 1.00 0.00 C ATOM 0 H PHE A 397 4.609 5.319 12.453 1.00 0.00 H new ATOM 0 HA PHE A 397 5.358 5.882 15.110 1.00 0.00 H new ATOM 0 HB2 PHE A 397 3.618 7.229 13.011 1.00 0.00 H new ATOM 0 HB3 PHE A 397 3.701 7.898 14.629 1.00 0.00 H new ATOM 0 HD1 PHE A 397 6.264 7.911 15.612 1.00 0.00 H new ATOM 0 HD2 PHE A 397 5.156 8.095 11.460 1.00 0.00 H new ATOM 0 HE1 PHE A 397 8.442 8.965 15.075 1.00 0.00 H new ATOM 0 HE2 PHE A 397 7.336 9.141 10.929 1.00 0.00 H new ATOM 0 HZ PHE A 397 8.979 9.574 12.734 1.00 0.00 H new ATOM 429 N ILE A 398 2.194 5.083 14.653 1.00 0.00 N ATOM 430 CA ILE A 398 0.987 4.667 15.350 1.00 0.00 C ATOM 431 C ILE A 398 1.254 3.408 16.173 1.00 0.00 C ATOM 432 O ILE A 398 0.796 3.293 17.310 1.00 0.00 O ATOM 433 CB ILE A 398 -0.143 4.406 14.344 1.00 0.00 C ATOM 434 CG1 ILE A 398 -0.574 5.728 13.709 1.00 0.00 C ATOM 435 CG2 ILE A 398 -1.335 3.768 15.065 1.00 0.00 C ATOM 436 CD1 ILE A 398 -1.517 5.446 12.538 1.00 0.00 C ATOM 0 H ILE A 398 2.129 5.053 13.636 1.00 0.00 H new ATOM 0 HA ILE A 398 0.683 5.468 16.024 1.00 0.00 H new ATOM 0 HB ILE A 398 0.211 3.729 13.567 1.00 0.00 H new ATOM 0 HG12 ILE A 398 -1.073 6.354 14.449 1.00 0.00 H new ATOM 0 HG13 ILE A 398 0.300 6.279 13.362 1.00 0.00 H new ATOM 0 HG21 ILE A 398 -2.136 3.583 14.350 1.00 0.00 H new ATOM 0 HG22 ILE A 398 -1.026 2.825 15.515 1.00 0.00 H new ATOM 0 HG23 ILE A 398 -1.692 4.442 15.844 1.00 0.00 H new ATOM 0 HD11 ILE A 398 -1.825 6.388 12.084 1.00 0.00 H new ATOM 0 HD12 ILE A 398 -1.002 4.836 11.795 1.00 0.00 H new ATOM 0 HD13 ILE A 398 -2.396 4.912 12.899 1.00 0.00 H new ATOM 448 N GLY A 399 1.986 2.465 15.587 1.00 0.00 N ATOM 449 CA GLY A 399 2.292 1.219 16.269 1.00 0.00 C ATOM 450 C GLY A 399 3.165 1.475 17.487 1.00 0.00 C ATOM 451 O GLY A 399 2.991 0.848 18.533 1.00 0.00 O ATOM 0 H GLY A 399 2.375 2.542 14.647 1.00 0.00 H new ATOM 0 HA2 GLY A 399 1.367 0.729 16.574 1.00 0.00 H new ATOM 0 HA3 GLY A 399 2.802 0.540 15.586 1.00 0.00 H new ATOM 455 N LEU A 400 4.108 2.395 17.344 1.00 0.00 N ATOM 456 CA LEU A 400 5.003 2.714 18.438 1.00 0.00 C ATOM 457 C LEU A 400 4.225 3.276 19.624 1.00 0.00 C ATOM 458 O LEU A 400 4.496 2.944 20.779 1.00 0.00 O ATOM 459 CB LEU A 400 6.059 3.746 17.967 1.00 0.00 C ATOM 460 CG LEU A 400 7.384 3.510 18.707 1.00 0.00 C ATOM 461 CD1 LEU A 400 7.139 3.522 20.226 1.00 0.00 C ATOM 462 CD2 LEU A 400 7.979 2.142 18.284 1.00 0.00 C ATOM 0 H LEU A 400 4.270 2.927 16.489 1.00 0.00 H new ATOM 0 HA LEU A 400 5.504 1.799 18.754 1.00 0.00 H new ATOM 0 HB2 LEU A 400 6.212 3.658 16.891 1.00 0.00 H new ATOM 0 HB3 LEU A 400 5.701 4.758 18.156 1.00 0.00 H new ATOM 0 HG LEU A 400 8.086 4.303 18.451 1.00 0.00 H new ATOM 0 HD11 LEU A 400 8.081 3.354 20.748 1.00 0.00 H new ATOM 0 HD12 LEU A 400 6.728 4.488 20.521 1.00 0.00 H new ATOM 0 HD13 LEU A 400 6.434 2.733 20.487 1.00 0.00 H new ATOM 0 HD21 LEU A 400 8.919 1.976 18.810 1.00 0.00 H new ATOM 0 HD22 LEU A 400 7.277 1.347 18.535 1.00 0.00 H new ATOM 0 HD23 LEU A 400 8.159 2.140 17.209 1.00 0.00 H new ATOM 474 N LYS A 401 3.273 4.145 19.332 1.00 0.00 N ATOM 475 CA LYS A 401 2.473 4.764 20.379 1.00 0.00 C ATOM 476 C LYS A 401 1.624 3.712 21.083 1.00 0.00 C ATOM 477 O LYS A 401 1.065 2.822 20.442 1.00 0.00 O ATOM 478 CB LYS A 401 1.569 5.840 19.777 1.00 0.00 C ATOM 479 CG LYS A 401 0.935 6.661 20.901 1.00 0.00 C ATOM 480 CD LYS A 401 0.116 7.803 20.298 1.00 0.00 C ATOM 481 CE LYS A 401 -0.494 8.645 21.421 1.00 0.00 C ATOM 482 NZ LYS A 401 -1.277 9.767 20.831 1.00 0.00 N ATOM 0 H LYS A 401 3.034 4.438 18.385 1.00 0.00 H new ATOM 0 HA LYS A 401 3.142 5.224 21.106 1.00 0.00 H new ATOM 0 HB2 LYS A 401 2.147 6.489 19.119 1.00 0.00 H new ATOM 0 HB3 LYS A 401 0.793 5.378 19.167 1.00 0.00 H new ATOM 0 HG2 LYS A 401 0.296 6.025 21.514 1.00 0.00 H new ATOM 0 HG3 LYS A 401 1.710 7.061 21.555 1.00 0.00 H new ATOM 0 HD2 LYS A 401 0.750 8.425 19.667 1.00 0.00 H new ATOM 0 HD3 LYS A 401 -0.672 7.402 19.661 1.00 0.00 H new ATOM 0 HE2 LYS A 401 -1.139 8.026 22.045 1.00 0.00 H new ATOM 0 HE3 LYS A 401 0.293 9.036 22.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 -1.692 10.340 21.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 -0.650 10.362 20.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 -2.037 9.383 20.234 1.00 0.00 H new ATOM 496 N HIS A 402 1.538 3.814 22.405 1.00 0.00 N ATOM 497 CA HIS A 402 0.760 2.859 23.186 1.00 0.00 C ATOM 498 C HIS A 402 -0.689 2.831 22.711 1.00 0.00 C ATOM 499 O HIS A 402 -1.272 1.762 22.537 1.00 0.00 O ATOM 500 CB HIS A 402 0.804 3.244 24.668 1.00 0.00 C ATOM 501 CG HIS A 402 0.038 2.228 25.473 1.00 0.00 C ATOM 502 ND1 HIS A 402 0.511 0.942 25.679 1.00 0.00 N ATOM 503 CD2 HIS A 402 -1.166 2.296 26.129 1.00 0.00 C ATOM 504 CE1 HIS A 402 -0.398 0.292 26.429 1.00 0.00 C ATOM 505 NE2 HIS A 402 -1.440 1.072 26.731 1.00 0.00 N ATOM 0 H HIS A 402 1.994 4.542 22.955 1.00 0.00 H new ATOM 0 HA HIS A 402 1.193 1.868 23.051 1.00 0.00 H new ATOM 0 HB2 HIS A 402 1.837 3.292 25.012 1.00 0.00 H new ATOM 0 HB3 HIS A 402 0.374 4.236 24.810 1.00 0.00 H new ATOM 0 HD2 HIS A 402 -1.803 3.167 26.171 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.297 -0.735 26.748 1.00 0.00 H new ATOM 0 HE2 HIS A 402 -2.260 0.823 27.284 1.00 0.00 H new ATOM 514 N HIS A 403 -1.262 4.011 22.497 1.00 0.00 N ATOM 515 CA HIS A 403 -2.644 4.104 22.042 1.00 0.00 C ATOM 516 C HIS A 403 -2.731 3.797 20.554 1.00 0.00 C ATOM 517 O HIS A 403 -1.921 4.280 19.764 1.00 0.00 O ATOM 518 CB HIS A 403 -3.190 5.506 22.303 1.00 0.00 C ATOM 519 CG HIS A 403 -3.159 5.787 23.779 1.00 0.00 C ATOM 520 ND1 HIS A 403 -4.100 5.263 24.652 1.00 0.00 N ATOM 521 CD2 HIS A 403 -2.305 6.534 24.553 1.00 0.00 C ATOM 522 CE1 HIS A 403 -3.794 5.697 25.887 1.00 0.00 C ATOM 523 NE2 HIS A 403 -2.708 6.476 25.884 1.00 0.00 N ATOM 0 H HIS A 403 -0.796 4.908 22.630 1.00 0.00 H new ATOM 0 HA HIS A 403 -3.239 3.376 22.594 1.00 0.00 H new ATOM 0 HB2 HIS A 403 -2.594 6.246 21.768 1.00 0.00 H new ATOM 0 HB3 HIS A 403 -4.210 5.587 21.928 1.00 0.00 H new ATOM 0 HD2 HIS A 403 -1.451 7.083 24.185 1.00 0.00 H new ATOM 0 HE1 HIS A 403 -4.357 5.447 26.774 1.00 0.00 H new ATOM 0 HE2 HIS A 403 -2.269 6.930 26.685 1.00 0.00 H new ATOM 532 N HIS A 404 -3.721 2.992 20.173 1.00 0.00 N ATOM 533 CA HIS A 404 -3.909 2.623 18.768 1.00 0.00 C ATOM 534 C HIS A 404 -5.157 3.291 18.204 1.00 0.00 C ATOM 535 O HIS A 404 -6.169 3.425 18.893 1.00 0.00 O ATOM 536 CB HIS A 404 -4.039 1.104 18.644 1.00 0.00 C ATOM 537 CG HIS A 404 -2.748 0.455 19.060 1.00 0.00 C ATOM 538 ND1 HIS A 404 -2.504 0.065 20.367 1.00 0.00 N ATOM 539 CD2 HIS A 404 -1.621 0.118 18.352 1.00 0.00 C ATOM 540 CE1 HIS A 404 -1.274 -0.478 20.406 1.00 0.00 C ATOM 541 NE2 HIS A 404 -0.691 -0.471 19.204 1.00 0.00 N ATOM 0 H HIS A 404 -4.403 2.584 20.812 1.00 0.00 H new ATOM 0 HA HIS A 404 -3.042 2.961 18.200 1.00 0.00 H new ATOM 0 HB2 HIS A 404 -4.857 0.746 19.270 1.00 0.00 H new ATOM 0 HB3 HIS A 404 -4.281 0.832 17.617 1.00 0.00 H new ATOM 0 HD2 HIS A 404 -1.478 0.285 17.295 1.00 0.00 H new ATOM 0 HE1 HIS A 404 -0.814 -0.872 21.300 1.00 0.00 H new ATOM 0 HE2 HIS A 404 0.236 -0.822 18.963 1.00 0.00 H new ATOM 550 N ALA A 405 -5.074 3.715 16.947 1.00 0.00 N ATOM 551 CA ALA A 405 -6.203 4.371 16.297 1.00 0.00 C ATOM 552 C ALA A 405 -7.242 3.343 15.860 1.00 0.00 C ATOM 553 O ALA A 405 -8.364 3.696 15.496 1.00 0.00 O ATOM 554 CB ALA A 405 -5.718 5.159 15.079 1.00 0.00 C ATOM 0 H ALA A 405 -4.244 3.617 16.362 1.00 0.00 H new ATOM 0 HA ALA A 405 -6.663 5.054 17.012 1.00 0.00 H new ATOM 0 HB1 ALA A 405 -6.567 5.646 14.599 1.00 0.00 H new ATOM 0 HB2 ALA A 405 -4.999 5.914 15.397 1.00 0.00 H new ATOM 0 HB3 ALA A 405 -5.242 4.479 14.372 1.00 0.00 H new ATOM 560 N GLY A 406 -6.860 2.071 15.896 1.00 0.00 N ATOM 561 CA GLY A 406 -7.766 1.000 15.499 1.00 0.00 C ATOM 562 C GLY A 406 -8.969 0.925 16.434 1.00 0.00 C ATOM 563 O GLY A 406 -10.092 0.680 15.995 1.00 0.00 O ATOM 0 H GLY A 406 -5.936 1.758 16.194 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -8.106 1.167 14.477 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -7.235 0.048 15.507 1.00 0.00 H new ATOM 567 N TYR A 407 -8.725 1.134 17.723 1.00 0.00 N ATOM 568 CA TYR A 407 -9.794 1.084 18.711 1.00 0.00 C ATOM 569 C TYR A 407 -10.612 2.366 18.679 1.00 0.00 C ATOM 570 O TYR A 407 -10.061 3.465 18.610 1.00 0.00 O ATOM 571 CB TYR A 407 -9.209 0.886 20.108 1.00 0.00 C ATOM 572 CG TYR A 407 -10.328 0.856 21.123 1.00 0.00 C ATOM 573 CD1 TYR A 407 -11.130 -0.285 21.246 1.00 0.00 C ATOM 574 CD2 TYR A 407 -10.564 1.968 21.941 1.00 0.00 C ATOM 575 CE1 TYR A 407 -12.167 -0.314 22.186 1.00 0.00 C ATOM 576 CE2 TYR A 407 -11.600 1.938 22.881 1.00 0.00 C ATOM 577 CZ TYR A 407 -12.402 0.797 23.004 1.00 0.00 C ATOM 578 OH TYR A 407 -13.423 0.768 23.930 1.00 0.00 O ATOM 0 H TYR A 407 -7.802 1.338 18.106 1.00 0.00 H new ATOM 0 HA TYR A 407 -10.445 0.244 18.469 1.00 0.00 H new ATOM 0 HB2 TYR A 407 -8.642 -0.044 20.148 1.00 0.00 H new ATOM 0 HB3 TYR A 407 -8.514 1.693 20.341 1.00 0.00 H new ATOM 0 HD1 TYR A 407 -10.949 -1.143 20.616 1.00 0.00 H new ATOM 0 HD2 TYR A 407 -9.946 2.849 21.846 1.00 0.00 H new ATOM 0 HE1 TYR A 407 -12.786 -1.194 22.280 1.00 0.00 H new ATOM 0 HE2 TYR A 407 -11.781 2.796 23.512 1.00 0.00 H new ATOM 0 HH TYR A 407 -13.448 1.619 24.416 1.00 0.00 H new ATOM 588 N GLU A 408 -11.935 2.222 18.740 1.00 0.00 N ATOM 589 CA GLU A 408 -12.831 3.381 18.723 1.00 0.00 C ATOM 590 C GLU A 408 -13.916 3.232 19.778 1.00 0.00 C ATOM 591 O GLU A 408 -14.359 2.128 20.078 1.00 0.00 O ATOM 592 CB GLU A 408 -13.465 3.528 17.336 1.00 0.00 C ATOM 593 CG GLU A 408 -12.430 4.062 16.337 1.00 0.00 C ATOM 594 CD GLU A 408 -12.054 5.495 16.699 1.00 0.00 C ATOM 595 OE1 GLU A 408 -12.839 6.139 17.376 1.00 0.00 O ATOM 596 OE2 GLU A 408 -10.989 5.928 16.294 1.00 0.00 O ATOM 0 H GLU A 408 -12.409 1.321 18.801 1.00 0.00 H new ATOM 0 HA GLU A 408 -12.250 4.275 18.948 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -13.845 2.564 16.997 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -14.317 4.206 17.387 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -11.542 3.430 16.347 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -12.835 4.027 15.326 1.00 0.00 H new ATOM 603 N GLN A 409 -14.343 4.357 20.333 1.00 0.00 N ATOM 604 CA GLN A 409 -15.384 4.348 21.352 1.00 0.00 C ATOM 605 C GLN A 409 -16.741 4.032 20.728 1.00 0.00 C ATOM 606 O GLN A 409 -17.086 4.560 19.670 1.00 0.00 O ATOM 607 CB GLN A 409 -15.438 5.713 22.054 1.00 0.00 C ATOM 608 CG GLN A 409 -16.046 6.766 21.115 1.00 0.00 C ATOM 609 CD GLN A 409 -15.310 6.756 19.777 1.00 0.00 C ATOM 610 OE1 GLN A 409 -14.093 6.940 19.736 1.00 0.00 O ATOM 611 NE2 GLN A 409 -15.974 6.526 18.679 1.00 0.00 N ATOM 0 H GLN A 409 -13.987 5.283 20.097 1.00 0.00 H new ATOM 0 HA GLN A 409 -15.149 3.575 22.084 1.00 0.00 H new ATOM 0 HB2 GLN A 409 -16.033 5.639 22.964 1.00 0.00 H new ATOM 0 HB3 GLN A 409 -14.435 6.017 22.353 1.00 0.00 H new ATOM 0 HG2 GLN A 409 -17.105 6.559 20.959 1.00 0.00 H new ATOM 0 HG3 GLN A 409 -15.978 7.754 21.570 1.00 0.00 H new ATOM 0 HE21 GLN A 409 -16.982 6.374 18.715 1.00 0.00 H new ATOM 0 HE22 GLN A 409 -15.486 6.498 17.784 1.00 0.00 H new ATOM 620 N PHE A 410 -17.512 3.186 21.396 1.00 0.00 N ATOM 621 CA PHE A 410 -18.835 2.821 20.902 1.00 0.00 C ATOM 622 C PHE A 410 -19.622 2.079 21.978 1.00 0.00 C ATOM 623 O PHE A 410 -19.008 1.637 22.934 1.00 0.00 O ATOM 624 CB PHE A 410 -18.698 1.938 19.662 1.00 0.00 C ATOM 625 CG PHE A 410 -20.068 1.507 19.196 1.00 0.00 C ATOM 626 CD1 PHE A 410 -20.878 2.398 18.482 1.00 0.00 C ATOM 627 CD2 PHE A 410 -20.531 0.216 19.481 1.00 0.00 C ATOM 628 CE1 PHE A 410 -22.149 1.999 18.052 1.00 0.00 C ATOM 629 CE2 PHE A 410 -21.802 -0.183 19.050 1.00 0.00 C ATOM 630 CZ PHE A 410 -22.610 0.708 18.336 1.00 0.00 C ATOM 631 OXT PHE A 410 -20.826 1.964 21.828 1.00 0.00 O ATOM 0 H PHE A 410 -17.248 2.741 22.275 1.00 0.00 H new ATOM 0 HA PHE A 410 -19.373 3.732 20.642 1.00 0.00 H new ATOM 0 HB2 PHE A 410 -18.188 2.484 18.869 1.00 0.00 H new ATOM 0 HB3 PHE A 410 -18.088 1.064 19.891 1.00 0.00 H new ATOM 0 HD1 PHE A 410 -20.522 3.394 18.263 1.00 0.00 H new ATOM 0 HD2 PHE A 410 -19.908 -0.472 20.033 1.00 0.00 H new ATOM 0 HE1 PHE A 410 -22.774 2.687 17.501 1.00 0.00 H new ATOM 0 HE2 PHE A 410 -22.159 -1.179 19.269 1.00 0.00 H new ATOM 0 HZ PHE A 410 -23.590 0.400 18.004 1.00 0.00 H new TER 641 PHE A 410