USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 314 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 NoAdj-H: A 405 HIS HE2 : A 405 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 375 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 377 SER OG : rot 21:sc= 0.0667 USER MOD Single : A 374 SER OG : rot 34:sc= 0.607 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ -155:sc= -0.0252 (180deg=-0.487) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= -0.969 USER MOD Single : A 393 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 398 MET CE :methyl -123:sc= -3.24 (180deg=-10!) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 400 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 HIS :FLIP no HE2:sc= -0.867 F(o=-1.6,f=-0.87) USER MOD Single : A 404 SER OG : rot 180:sc=-0.00819 USER MOD Single : A 408 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0321) USER MOD Single : A 412 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 373 -4.126 9.120 -14.060 1.00 0.00 N ATOM 2 CA GLY A 373 -3.592 9.448 -12.751 1.00 0.00 C ATOM 3 C GLY A 373 -2.107 9.750 -12.790 1.00 0.00 C ATOM 4 O GLY A 373 -1.334 9.018 -13.407 1.00 0.00 O ATOM 0 HA2 GLY A 373 -4.125 10.310 -12.350 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -3.773 8.617 -12.069 1.00 0.00 H new ATOM 8 N SER A 374 -1.708 10.832 -12.129 1.00 0.00 N ATOM 9 CA SER A 374 -0.306 11.232 -12.095 1.00 0.00 C ATOM 10 C SER A 374 0.148 11.497 -10.663 1.00 0.00 C ATOM 11 O SER A 374 -0.376 12.382 -9.987 1.00 0.00 O ATOM 12 CB SER A 374 -0.089 12.482 -12.950 1.00 0.00 C ATOM 13 OG SER A 374 -0.821 13.583 -12.438 1.00 0.00 O ATOM 0 H SER A 374 -2.335 11.447 -11.610 1.00 0.00 H new ATOM 0 HA SER A 374 0.289 10.415 -12.502 1.00 0.00 H new ATOM 0 HB2 SER A 374 0.973 12.728 -12.977 1.00 0.00 H new ATOM 0 HB3 SER A 374 -0.397 12.282 -13.976 1.00 0.00 H new ATOM 0 HG SER A 374 -0.863 13.522 -11.461 1.00 0.00 H new ATOM 19 N SER A 375 1.127 10.722 -10.206 1.00 0.00 N ATOM 20 CA SER A 375 1.651 10.869 -8.853 1.00 0.00 C ATOM 21 C SER A 375 2.226 12.266 -8.642 1.00 0.00 C ATOM 22 O SER A 375 1.663 13.077 -7.909 1.00 0.00 O ATOM 23 CB SER A 375 2.727 9.815 -8.583 1.00 0.00 C ATOM 24 OG SER A 375 3.549 10.194 -7.493 1.00 0.00 O ATOM 0 H SER A 375 1.573 9.986 -10.753 1.00 0.00 H new ATOM 0 HA SER A 375 0.828 10.725 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 375 2.256 8.855 -8.371 1.00 0.00 H new ATOM 0 HB3 SER A 375 3.339 9.679 -9.474 1.00 0.00 H new ATOM 0 HG SER A 375 4.227 9.504 -7.339 1.00 0.00 H new ATOM 30 N GLY A 376 3.353 12.539 -9.292 1.00 0.00 N ATOM 31 CA GLY A 376 3.988 13.838 -9.163 1.00 0.00 C ATOM 32 C GLY A 376 5.197 13.805 -8.249 1.00 0.00 C ATOM 33 O GLY A 376 5.308 14.612 -7.326 1.00 0.00 O ATOM 0 H GLY A 376 3.838 11.884 -9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 376 4.291 14.190 -10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 376 3.264 14.556 -8.777 1.00 0.00 H new ATOM 37 N SER A 377 6.104 12.868 -8.505 1.00 0.00 N ATOM 38 CA SER A 377 7.309 12.729 -7.694 1.00 0.00 C ATOM 39 C SER A 377 8.468 12.196 -8.531 1.00 0.00 C ATOM 40 O SER A 377 8.315 11.232 -9.281 1.00 0.00 O ATOM 41 CB SER A 377 7.047 11.795 -6.511 1.00 0.00 C ATOM 42 OG SER A 377 6.910 10.452 -6.942 1.00 0.00 O ATOM 0 H SER A 377 6.028 12.194 -9.267 1.00 0.00 H new ATOM 0 HA SER A 377 7.580 13.715 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 377 7.867 11.869 -5.797 1.00 0.00 H new ATOM 0 HB3 SER A 377 6.142 12.107 -5.991 1.00 0.00 H new ATOM 0 HG SER A 377 7.330 10.346 -7.821 1.00 0.00 H new ATOM 48 N SER A 378 9.627 12.831 -8.397 1.00 0.00 N ATOM 49 CA SER A 378 10.813 12.425 -9.143 1.00 0.00 C ATOM 50 C SER A 378 11.176 10.975 -8.838 1.00 0.00 C ATOM 51 O SER A 378 11.703 10.262 -9.691 1.00 0.00 O ATOM 52 CB SER A 378 11.992 13.339 -8.805 1.00 0.00 C ATOM 53 OG SER A 378 11.925 14.550 -9.539 1.00 0.00 O ATOM 0 H SER A 378 9.771 13.629 -7.779 1.00 0.00 H new ATOM 0 HA SER A 378 10.590 12.510 -10.206 1.00 0.00 H new ATOM 0 HB2 SER A 378 11.993 13.557 -7.737 1.00 0.00 H new ATOM 0 HB3 SER A 378 12.928 12.827 -9.027 1.00 0.00 H new ATOM 0 HG SER A 378 12.689 15.118 -9.304 1.00 0.00 H new ATOM 59 N GLY A 379 10.889 10.544 -7.613 1.00 0.00 N ATOM 60 CA GLY A 379 11.192 9.182 -7.215 1.00 0.00 C ATOM 61 C GLY A 379 10.936 8.937 -5.741 1.00 0.00 C ATOM 62 O GLY A 379 11.830 9.108 -4.913 1.00 0.00 O ATOM 0 H GLY A 379 10.452 11.114 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 379 10.589 8.492 -7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 379 12.236 8.965 -7.440 1.00 0.00 H new ATOM 66 N GLU A 380 9.711 8.538 -5.413 1.00 0.00 N ATOM 67 CA GLU A 380 9.340 8.272 -4.028 1.00 0.00 C ATOM 68 C GLU A 380 8.356 7.109 -3.942 1.00 0.00 C ATOM 69 O GLU A 380 7.456 6.979 -4.772 1.00 0.00 O ATOM 70 CB GLU A 380 8.727 9.522 -3.393 1.00 0.00 C ATOM 71 CG GLU A 380 8.355 9.341 -1.931 1.00 0.00 C ATOM 72 CD GLU A 380 9.566 9.122 -1.044 1.00 0.00 C ATOM 73 OE1 GLU A 380 10.052 7.974 -0.975 1.00 0.00 O ATOM 74 OE2 GLU A 380 10.027 10.100 -0.418 1.00 0.00 O ATOM 0 H GLU A 380 8.959 8.392 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 380 10.243 8.001 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 380 9.434 10.347 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 380 7.836 9.805 -3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 380 7.811 10.221 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 380 7.680 8.491 -1.834 1.00 0.00 H new ATOM 81 N LYS A 381 8.534 6.265 -2.931 1.00 0.00 N ATOM 82 CA LYS A 381 7.662 5.113 -2.733 1.00 0.00 C ATOM 83 C LYS A 381 7.702 4.187 -3.945 1.00 0.00 C ATOM 84 O LYS A 381 6.762 4.121 -4.737 1.00 0.00 O ATOM 85 CB LYS A 381 6.225 5.572 -2.476 1.00 0.00 C ATOM 86 CG LYS A 381 5.895 5.743 -1.004 1.00 0.00 C ATOM 87 CD LYS A 381 5.121 4.552 -0.464 1.00 0.00 C ATOM 88 CE LYS A 381 5.180 4.490 1.054 1.00 0.00 C ATOM 89 NZ LYS A 381 4.151 5.362 1.685 1.00 0.00 N ATOM 0 H LYS A 381 9.275 6.357 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 381 8.021 4.562 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 381 6.058 6.519 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 381 5.538 4.847 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 381 6.817 5.867 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 381 5.310 6.652 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 381 4.082 4.616 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.529 3.632 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 381 5.034 3.461 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.171 4.794 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 4.463 5.633 2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 4.019 6.217 1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 3.250 4.846 1.749 1.00 0.00 H new ATOM 103 N PRO A 382 8.815 3.452 -4.093 1.00 0.00 N ATOM 104 CA PRO A 382 9.002 2.515 -5.204 1.00 0.00 C ATOM 105 C PRO A 382 8.094 1.295 -5.093 1.00 0.00 C ATOM 106 O PRO A 382 7.943 0.533 -6.048 1.00 0.00 O ATOM 107 CB PRO A 382 10.471 2.102 -5.076 1.00 0.00 C ATOM 108 CG PRO A 382 10.796 2.304 -3.636 1.00 0.00 C ATOM 109 CD PRO A 382 9.975 3.480 -3.186 1.00 0.00 C ATOM 0 HA PRO A 382 8.754 2.967 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.618 1.064 -5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 382 11.111 2.710 -5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 382 10.555 1.415 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 382 11.860 2.496 -3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 382 9.672 3.384 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 382 10.530 4.414 -3.272 1.00 0.00 H new ATOM 117 N TYR A 383 7.491 1.117 -3.923 1.00 0.00 N ATOM 118 CA TYR A 383 6.599 -0.012 -3.687 1.00 0.00 C ATOM 119 C TYR A 383 5.220 0.467 -3.244 1.00 0.00 C ATOM 120 O TYR A 383 5.049 0.953 -2.126 1.00 0.00 O ATOM 121 CB TYR A 383 7.192 -0.945 -2.630 1.00 0.00 C ATOM 122 CG TYR A 383 8.658 -1.248 -2.842 1.00 0.00 C ATOM 123 CD1 TYR A 383 9.107 -1.806 -4.032 1.00 0.00 C ATOM 124 CD2 TYR A 383 9.594 -0.974 -1.853 1.00 0.00 C ATOM 125 CE1 TYR A 383 10.445 -2.085 -4.231 1.00 0.00 C ATOM 126 CE2 TYR A 383 10.935 -1.248 -2.043 1.00 0.00 C ATOM 127 CZ TYR A 383 11.355 -1.804 -3.233 1.00 0.00 C ATOM 128 OH TYR A 383 12.690 -2.079 -3.427 1.00 0.00 O ATOM 0 H TYR A 383 7.604 1.740 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 383 6.490 -0.559 -4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 383 7.062 -0.495 -1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 383 6.633 -1.881 -2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 383 8.397 -2.026 -4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 383 9.268 -0.539 -0.920 1.00 0.00 H new ATOM 0 HE1 TYR A 383 10.777 -2.520 -5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 383 11.650 -1.028 -1.264 1.00 0.00 H new ATOM 0 HH TYR A 383 13.197 -1.821 -2.629 1.00 0.00 H new ATOM 138 N SER A 384 4.239 0.325 -4.129 1.00 0.00 N ATOM 139 CA SER A 384 2.875 0.746 -3.832 1.00 0.00 C ATOM 140 C SER A 384 1.863 -0.196 -4.478 1.00 0.00 C ATOM 141 O SER A 384 2.217 -1.028 -5.314 1.00 0.00 O ATOM 142 CB SER A 384 2.642 2.176 -4.321 1.00 0.00 C ATOM 143 OG SER A 384 1.315 2.597 -4.053 1.00 0.00 O ATOM 0 H SER A 384 4.363 -0.078 -5.058 1.00 0.00 H new ATOM 0 HA SER A 384 2.738 0.713 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 384 3.346 2.850 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 384 2.836 2.234 -5.392 1.00 0.00 H new ATOM 0 HG SER A 384 1.192 3.515 -4.374 1.00 0.00 H new ATOM 149 N CYS A 385 0.601 -0.059 -4.085 1.00 0.00 N ATOM 150 CA CYS A 385 -0.464 -0.896 -4.624 1.00 0.00 C ATOM 151 C CYS A 385 -1.444 -0.066 -5.448 1.00 0.00 C ATOM 152 O CYS A 385 -2.563 0.221 -5.023 1.00 0.00 O ATOM 153 CB CYS A 385 -1.206 -1.605 -3.490 1.00 0.00 C ATOM 154 SG CYS A 385 -2.272 -2.976 -4.043 1.00 0.00 S ATOM 0 H CYS A 385 0.291 0.625 -3.394 1.00 0.00 H new ATOM 0 HA CYS A 385 -0.011 -1.643 -5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -0.476 -1.990 -2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -1.817 -0.876 -2.958 1.00 0.00 H new ATOM 159 N PRO A 386 -1.015 0.329 -6.656 1.00 0.00 N ATOM 160 CA PRO A 386 -1.839 1.131 -7.565 1.00 0.00 C ATOM 161 C PRO A 386 -3.013 0.341 -8.133 1.00 0.00 C ATOM 162 O PRO A 386 -3.919 0.908 -8.744 1.00 0.00 O ATOM 163 CB PRO A 386 -0.864 1.516 -8.681 1.00 0.00 C ATOM 164 CG PRO A 386 0.173 0.446 -8.663 1.00 0.00 C ATOM 165 CD PRO A 386 0.308 0.024 -7.227 1.00 0.00 C ATOM 0 HA PRO A 386 -2.289 1.985 -7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -1.367 1.564 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -0.424 2.497 -8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -0.123 -0.395 -9.291 1.00 0.00 H new ATOM 0 HG3 PRO A 386 1.122 0.816 -9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 386 0.548 -1.036 -7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 386 1.101 0.573 -6.720 1.00 0.00 H new ATOM 173 N VAL A 387 -2.991 -0.972 -7.926 1.00 0.00 N ATOM 174 CA VAL A 387 -4.055 -1.841 -8.416 1.00 0.00 C ATOM 175 C VAL A 387 -5.387 -1.506 -7.753 1.00 0.00 C ATOM 176 O VAL A 387 -6.424 -1.445 -8.414 1.00 0.00 O ATOM 177 CB VAL A 387 -3.728 -3.325 -8.166 1.00 0.00 C ATOM 178 CG1 VAL A 387 -4.862 -4.212 -8.656 1.00 0.00 C ATOM 179 CG2 VAL A 387 -2.417 -3.702 -8.839 1.00 0.00 C ATOM 0 H VAL A 387 -2.248 -1.457 -7.423 1.00 0.00 H new ATOM 0 HA VAL A 387 -4.134 -1.670 -9.490 1.00 0.00 H new ATOM 0 HB VAL A 387 -3.617 -3.478 -7.093 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -4.613 -5.257 -8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 387 -5.779 -3.958 -8.124 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -5.009 -4.058 -9.725 1.00 0.00 H new ATOM 0 HG21 VAL A 387 -2.201 -4.754 -8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 387 -2.498 -3.533 -9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 387 -1.611 -3.089 -8.435 1.00 0.00 H new ATOM 189 N CYS A 388 -5.351 -1.290 -6.443 1.00 0.00 N ATOM 190 CA CYS A 388 -6.554 -0.961 -5.688 1.00 0.00 C ATOM 191 C CYS A 388 -6.453 0.436 -5.084 1.00 0.00 C ATOM 192 O CYS A 388 -7.464 1.088 -4.827 1.00 0.00 O ATOM 193 CB CYS A 388 -6.785 -1.992 -4.581 1.00 0.00 C ATOM 194 SG CYS A 388 -5.606 -1.873 -3.198 1.00 0.00 S ATOM 0 H CYS A 388 -4.501 -1.337 -5.881 1.00 0.00 H new ATOM 0 HA CYS A 388 -7.400 -0.980 -6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 388 -7.797 -1.873 -4.193 1.00 0.00 H new ATOM 0 HB3 CYS A 388 -6.724 -2.992 -5.011 1.00 0.00 H new ATOM 199 N GLY A 389 -5.223 0.891 -4.861 1.00 0.00 N ATOM 200 CA GLY A 389 -5.012 2.208 -4.289 1.00 0.00 C ATOM 201 C GLY A 389 -4.593 2.147 -2.833 1.00 0.00 C ATOM 202 O GLY A 389 -5.401 2.390 -1.936 1.00 0.00 O ATOM 0 H GLY A 389 -4.370 0.371 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 389 -4.247 2.732 -4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 389 -5.930 2.790 -4.376 1.00 0.00 H new ATOM 206 N LEU A 390 -3.327 1.821 -2.597 1.00 0.00 N ATOM 207 CA LEU A 390 -2.801 1.728 -1.239 1.00 0.00 C ATOM 208 C LEU A 390 -1.279 1.631 -1.250 1.00 0.00 C ATOM 209 O LEU A 390 -0.715 0.606 -1.633 1.00 0.00 O ATOM 210 CB LEU A 390 -3.396 0.513 -0.524 1.00 0.00 C ATOM 211 CG LEU A 390 -3.325 0.533 1.003 1.00 0.00 C ATOM 212 CD1 LEU A 390 -4.560 1.203 1.586 1.00 0.00 C ATOM 213 CD2 LEU A 390 -3.176 -0.880 1.549 1.00 0.00 C ATOM 0 H LEU A 390 -2.646 1.617 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 390 -3.085 2.633 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.441 0.419 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -2.883 -0.380 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 390 -2.449 1.110 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -4.492 1.208 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -4.624 2.228 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -5.450 0.653 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -3.127 -0.846 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -4.032 -1.481 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -2.262 -1.326 1.158 1.00 0.00 H new ATOM 225 N ARG A 391 -0.620 2.704 -0.824 1.00 0.00 N ATOM 226 CA ARG A 391 0.836 2.740 -0.784 1.00 0.00 C ATOM 227 C ARG A 391 1.376 1.755 0.250 1.00 0.00 C ATOM 228 O ARG A 391 0.639 1.282 1.115 1.00 0.00 O ATOM 229 CB ARG A 391 1.324 4.153 -0.460 1.00 0.00 C ATOM 230 CG ARG A 391 1.391 5.067 -1.674 1.00 0.00 C ATOM 231 CD ARG A 391 1.957 6.432 -1.313 1.00 0.00 C ATOM 232 NE ARG A 391 2.402 7.169 -2.492 1.00 0.00 N ATOM 233 CZ ARG A 391 1.573 7.686 -3.392 1.00 0.00 C ATOM 234 NH1 ARG A 391 0.262 7.547 -3.247 1.00 0.00 N ATOM 235 NH2 ARG A 391 2.055 8.344 -4.439 1.00 0.00 N ATOM 0 H ARG A 391 -1.072 3.560 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 391 1.208 2.450 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 391 0.660 4.596 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 391 2.313 4.092 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 391 2.011 4.607 -2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 391 0.393 5.186 -2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 391 1.198 7.012 -0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 391 2.794 6.307 -0.626 1.00 0.00 H new ATOM 0 HE ARG A 391 3.405 7.294 -2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -0.112 7.042 -2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -0.373 7.945 -3.939 1.00 0.00 H new ATOM 0 HH21 ARG A 391 3.063 8.453 -4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 391 1.418 8.741 -5.130 1.00 0.00 H new ATOM 249 N PHE A 392 2.666 1.451 0.153 1.00 0.00 N ATOM 250 CA PHE A 392 3.304 0.522 1.078 1.00 0.00 C ATOM 251 C PHE A 392 4.766 0.896 1.302 1.00 0.00 C ATOM 252 O PHE A 392 5.432 1.414 0.404 1.00 0.00 O ATOM 253 CB PHE A 392 3.208 -0.909 0.544 1.00 0.00 C ATOM 254 CG PHE A 392 1.878 -1.557 0.805 1.00 0.00 C ATOM 255 CD1 PHE A 392 0.832 -1.408 -0.091 1.00 0.00 C ATOM 256 CD2 PHE A 392 1.676 -2.317 1.946 1.00 0.00 C ATOM 257 CE1 PHE A 392 -0.392 -2.004 0.148 1.00 0.00 C ATOM 258 CE2 PHE A 392 0.453 -2.915 2.190 1.00 0.00 C ATOM 259 CZ PHE A 392 -0.581 -2.759 1.289 1.00 0.00 C ATOM 0 H PHE A 392 3.290 1.835 -0.557 1.00 0.00 H new ATOM 0 HA PHE A 392 2.781 0.582 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 392 3.395 -0.901 -0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 392 3.993 -1.512 1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 392 0.974 -0.820 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 392 2.483 -2.444 2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 392 -1.200 -1.879 -0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 392 0.307 -3.503 3.084 1.00 0.00 H new ATOM 0 HZ PHE A 392 -1.536 -3.227 1.476 1.00 0.00 H new ATOM 269 N LYS A 393 5.261 0.630 2.506 1.00 0.00 N ATOM 270 CA LYS A 393 6.644 0.937 2.850 1.00 0.00 C ATOM 271 C LYS A 393 7.525 -0.302 2.719 1.00 0.00 C ATOM 272 O LYS A 393 8.695 -0.206 2.347 1.00 0.00 O ATOM 273 CB LYS A 393 6.727 1.485 4.277 1.00 0.00 C ATOM 274 CG LYS A 393 8.042 2.178 4.586 1.00 0.00 C ATOM 275 CD LYS A 393 8.095 3.571 3.980 1.00 0.00 C ATOM 276 CE LYS A 393 9.480 4.185 4.114 1.00 0.00 C ATOM 277 NZ LYS A 393 9.525 5.574 3.579 1.00 0.00 N ATOM 0 H LYS A 393 4.724 0.202 3.260 1.00 0.00 H new ATOM 0 HA LYS A 393 7.005 1.694 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 393 5.909 2.188 4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 393 6.584 0.665 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 393 8.174 2.245 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 393 8.868 1.581 4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 393 7.818 3.522 2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 393 7.363 4.211 4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 393 9.775 4.190 5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 393 10.204 3.567 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 393 10.486 5.957 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 393 9.268 5.566 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 393 8.853 6.170 4.103 1.00 0.00 H new ATOM 291 N ARG A 394 6.955 -1.463 3.024 1.00 0.00 N ATOM 292 CA ARG A 394 7.689 -2.720 2.939 1.00 0.00 C ATOM 293 C ARG A 394 7.543 -3.342 1.553 1.00 0.00 C ATOM 294 O ARG A 394 6.492 -3.237 0.921 1.00 0.00 O ATOM 295 CB ARG A 394 7.191 -3.698 4.004 1.00 0.00 C ATOM 296 CG ARG A 394 7.765 -3.437 5.387 1.00 0.00 C ATOM 297 CD ARG A 394 9.221 -3.868 5.476 1.00 0.00 C ATOM 298 NE ARG A 394 10.134 -2.786 5.117 1.00 0.00 N ATOM 299 CZ ARG A 394 11.446 -2.947 4.977 1.00 0.00 C ATOM 300 NH1 ARG A 394 11.994 -4.140 5.165 1.00 0.00 N ATOM 301 NH2 ARG A 394 12.211 -1.914 4.649 1.00 0.00 N ATOM 0 H ARG A 394 5.987 -1.559 3.332 1.00 0.00 H new ATOM 0 HA ARG A 394 8.744 -2.509 3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 394 6.104 -3.644 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 394 7.445 -4.713 3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 394 7.684 -2.376 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 394 7.179 -3.974 6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 394 9.438 -4.205 6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 394 9.389 -4.718 4.815 1.00 0.00 H new ATOM 0 HE ARG A 394 9.743 -1.856 4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 394 11.408 -4.936 5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 394 13.001 -4.261 5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 394 11.793 -0.995 4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 394 13.218 -2.039 4.542 1.00 0.00 H new ATOM 315 N LYS A 395 8.605 -3.990 1.086 1.00 0.00 N ATOM 316 CA LYS A 395 8.596 -4.630 -0.223 1.00 0.00 C ATOM 317 C LYS A 395 8.097 -6.068 -0.123 1.00 0.00 C ATOM 318 O LYS A 395 7.562 -6.618 -1.086 1.00 0.00 O ATOM 319 CB LYS A 395 10.000 -4.609 -0.833 1.00 0.00 C ATOM 320 CG LYS A 395 10.050 -5.124 -2.261 1.00 0.00 C ATOM 321 CD LYS A 395 11.451 -5.572 -2.643 1.00 0.00 C ATOM 322 CE LYS A 395 11.719 -7.003 -2.202 1.00 0.00 C ATOM 323 NZ LYS A 395 11.162 -7.993 -3.164 1.00 0.00 N ATOM 0 H LYS A 395 9.483 -4.085 1.596 1.00 0.00 H new ATOM 0 HA LYS A 395 7.917 -4.072 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 395 10.382 -3.588 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 395 10.665 -5.212 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.357 -5.958 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 395 9.719 -4.341 -2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 395 11.577 -5.493 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 395 12.184 -4.906 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 395 12.793 -7.157 -2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 395 11.281 -7.168 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 11.365 -8.956 -2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 10.133 -7.863 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 11.598 -7.853 -4.098 1.00 0.00 H new ATOM 337 N ASP A 396 8.272 -6.670 1.048 1.00 0.00 N ATOM 338 CA ASP A 396 7.836 -8.043 1.274 1.00 0.00 C ATOM 339 C ASP A 396 6.359 -8.089 1.654 1.00 0.00 C ATOM 340 O ASP A 396 5.669 -9.071 1.382 1.00 0.00 O ATOM 341 CB ASP A 396 8.678 -8.693 2.373 1.00 0.00 C ATOM 342 CG ASP A 396 10.132 -8.268 2.316 1.00 0.00 C ATOM 343 OD1 ASP A 396 10.837 -8.690 1.376 1.00 0.00 O ATOM 344 OD2 ASP A 396 10.566 -7.515 3.213 1.00 0.00 O ATOM 0 H ASP A 396 8.713 -6.229 1.855 1.00 0.00 H new ATOM 0 HA ASP A 396 7.971 -8.599 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 396 8.264 -8.431 3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 396 8.616 -9.777 2.281 1.00 0.00 H new ATOM 349 N ARG A 397 5.882 -7.020 2.284 1.00 0.00 N ATOM 350 CA ARG A 397 4.488 -6.940 2.702 1.00 0.00 C ATOM 351 C ARG A 397 3.589 -6.558 1.530 1.00 0.00 C ATOM 352 O ARG A 397 2.476 -7.065 1.398 1.00 0.00 O ATOM 353 CB ARG A 397 4.331 -5.920 3.832 1.00 0.00 C ATOM 354 CG ARG A 397 5.032 -6.325 5.119 1.00 0.00 C ATOM 355 CD ARG A 397 4.263 -5.854 6.344 1.00 0.00 C ATOM 356 NE ARG A 397 5.084 -5.887 7.551 1.00 0.00 N ATOM 357 CZ ARG A 397 4.624 -5.587 8.761 1.00 0.00 C ATOM 358 NH1 ARG A 397 3.356 -5.233 8.923 1.00 0.00 N ATOM 359 NH2 ARG A 397 5.432 -5.641 9.811 1.00 0.00 N ATOM 0 H ARG A 397 6.440 -6.198 2.516 1.00 0.00 H new ATOM 0 HA ARG A 397 4.186 -7.923 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 397 4.725 -4.959 3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 397 3.270 -5.776 4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 397 5.140 -7.409 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 397 6.037 -5.904 5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 397 3.903 -4.839 6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 397 3.385 -6.484 6.485 1.00 0.00 H new ATOM 0 HE ARG A 397 6.064 -6.155 7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 397 2.731 -5.191 8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 397 3.005 -5.003 9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 397 6.408 -5.913 9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 397 5.078 -5.410 10.739 1.00 0.00 H new ATOM 373 N MET A 398 4.081 -5.660 0.682 1.00 0.00 N ATOM 374 CA MET A 398 3.323 -5.211 -0.480 1.00 0.00 C ATOM 375 C MET A 398 3.179 -6.334 -1.503 1.00 0.00 C ATOM 376 O MET A 398 2.207 -6.380 -2.256 1.00 0.00 O ATOM 377 CB MET A 398 4.004 -4.003 -1.125 1.00 0.00 C ATOM 378 CG MET A 398 5.430 -4.278 -1.575 1.00 0.00 C ATOM 379 SD MET A 398 5.523 -4.830 -3.289 1.00 0.00 S ATOM 380 CE MET A 398 7.200 -4.359 -3.706 1.00 0.00 C ATOM 0 H MET A 398 5.001 -5.229 0.778 1.00 0.00 H new ATOM 0 HA MET A 398 2.328 -4.921 -0.143 1.00 0.00 H new ATOM 0 HB2 MET A 398 3.416 -3.681 -1.985 1.00 0.00 H new ATOM 0 HB3 MET A 398 4.009 -3.177 -0.414 1.00 0.00 H new ATOM 0 HG2 MET A 398 6.025 -3.373 -1.456 1.00 0.00 H new ATOM 0 HG3 MET A 398 5.871 -5.037 -0.929 1.00 0.00 H new ATOM 0 HE1 MET A 398 7.187 -3.696 -4.571 1.00 0.00 H new ATOM 0 HE2 MET A 398 7.654 -3.844 -2.860 1.00 0.00 H new ATOM 0 HE3 MET A 398 7.781 -5.251 -3.942 1.00 0.00 H new ATOM 390 N SER A 399 4.153 -7.238 -1.523 1.00 0.00 N ATOM 391 CA SER A 399 4.137 -8.359 -2.456 1.00 0.00 C ATOM 392 C SER A 399 3.045 -9.358 -2.085 1.00 0.00 C ATOM 393 O SER A 399 2.546 -10.093 -2.938 1.00 0.00 O ATOM 394 CB SER A 399 5.498 -9.056 -2.473 1.00 0.00 C ATOM 395 OG SER A 399 5.556 -10.039 -3.492 1.00 0.00 O ATOM 0 H SER A 399 4.963 -7.216 -0.904 1.00 0.00 H new ATOM 0 HA SER A 399 3.925 -7.969 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 399 6.285 -8.319 -2.630 1.00 0.00 H new ATOM 0 HB3 SER A 399 5.684 -9.520 -1.505 1.00 0.00 H new ATOM 0 HG SER A 399 6.437 -10.469 -3.482 1.00 0.00 H new ATOM 401 N TYR A 400 2.680 -9.380 -0.809 1.00 0.00 N ATOM 402 CA TYR A 400 1.650 -10.290 -0.323 1.00 0.00 C ATOM 403 C TYR A 400 0.262 -9.681 -0.491 1.00 0.00 C ATOM 404 O TYR A 400 -0.734 -10.396 -0.603 1.00 0.00 O ATOM 405 CB TYR A 400 1.895 -10.633 1.148 1.00 0.00 C ATOM 406 CG TYR A 400 0.978 -11.712 1.678 1.00 0.00 C ATOM 407 CD1 TYR A 400 1.056 -13.014 1.200 1.00 0.00 C ATOM 408 CD2 TYR A 400 0.034 -11.429 2.658 1.00 0.00 C ATOM 409 CE1 TYR A 400 0.220 -14.003 1.681 1.00 0.00 C ATOM 410 CE2 TYR A 400 -0.805 -12.412 3.146 1.00 0.00 C ATOM 411 CZ TYR A 400 -0.708 -13.698 2.654 1.00 0.00 C ATOM 412 OH TYR A 400 -1.542 -14.679 3.137 1.00 0.00 O ATOM 0 H TYR A 400 3.082 -8.777 -0.091 1.00 0.00 H new ATOM 0 HA TYR A 400 1.700 -11.204 -0.915 1.00 0.00 H new ATOM 0 HB2 TYR A 400 2.929 -10.954 1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 400 1.768 -9.732 1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 400 1.783 -13.257 0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 400 -0.045 -10.424 3.045 1.00 0.00 H new ATOM 0 HE1 TYR A 400 0.293 -15.010 1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 400 -1.533 -12.176 3.908 1.00 0.00 H new ATOM 0 HH TYR A 400 -2.135 -14.298 3.818 1.00 0.00 H new ATOM 422 N HIS A 401 0.203 -8.353 -0.507 1.00 0.00 N ATOM 423 CA HIS A 401 -1.062 -7.645 -0.662 1.00 0.00 C ATOM 424 C HIS A 401 -1.376 -7.409 -2.137 1.00 0.00 C ATOM 425 O HIS A 401 -2.428 -7.815 -2.631 1.00 0.00 O ATOM 426 CB HIS A 401 -1.019 -6.310 0.082 1.00 0.00 C ATOM 427 CG HIS A 401 -2.211 -5.441 -0.178 1.00 0.00 C ATOM 428 ND1 HIS A 401 -2.339 -4.311 -0.912 1.00 0.00 N flip ATOM 429 CD2 HIS A 401 -3.459 -5.698 0.349 1.00 0.00 C flip ATOM 430 CE1 HIS A 401 -3.650 -3.911 -0.818 1.00 0.00 C flip ATOM 431 NE2 HIS A 401 -4.304 -4.765 -0.052 1.00 0.00 N flip ATOM 0 H HIS A 401 1.017 -7.746 -0.414 1.00 0.00 H new ATOM 0 HA HIS A 401 -1.851 -8.265 -0.235 1.00 0.00 H new ATOM 0 HB2 HIS A 401 -0.946 -6.502 1.152 1.00 0.00 H new ATOM 0 HB3 HIS A 401 -0.117 -5.771 -0.207 1.00 0.00 H new ATOM 0 HD1 HIS A 401 -1.600 -3.844 -1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 401 -3.707 -6.532 0.989 1.00 0.00 H new ATOM 0 HE1 HIS A 401 -4.076 -3.040 -1.293 1.00 0.00 H new ATOM 439 N VAL A 402 -0.456 -6.750 -2.834 1.00 0.00 N ATOM 440 CA VAL A 402 -0.634 -6.460 -4.252 1.00 0.00 C ATOM 441 C VAL A 402 -0.965 -7.726 -5.034 1.00 0.00 C ATOM 442 O VAL A 402 -1.740 -7.693 -5.990 1.00 0.00 O ATOM 443 CB VAL A 402 0.627 -5.812 -4.855 1.00 0.00 C ATOM 444 CG1 VAL A 402 0.432 -5.546 -6.340 1.00 0.00 C ATOM 445 CG2 VAL A 402 0.971 -4.529 -4.115 1.00 0.00 C ATOM 0 H VAL A 402 0.420 -6.407 -2.440 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.466 -5.760 -4.330 1.00 0.00 H new ATOM 0 HB VAL A 402 1.461 -6.504 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.333 -5.088 -6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 402 0.237 -6.486 -6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -0.413 -4.873 -6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.864 -4.084 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 402 0.140 -3.828 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.156 -4.753 -3.064 1.00 0.00 H new ATOM 455 N ARG A 403 -0.372 -8.842 -4.622 1.00 0.00 N ATOM 456 CA ARG A 403 -0.603 -10.120 -5.285 1.00 0.00 C ATOM 457 C ARG A 403 -2.036 -10.596 -5.062 1.00 0.00 C ATOM 458 O ARG A 403 -2.616 -11.270 -5.913 1.00 0.00 O ATOM 459 CB ARG A 403 0.381 -11.171 -4.770 1.00 0.00 C ATOM 460 CG ARG A 403 1.710 -11.174 -5.508 1.00 0.00 C ATOM 461 CD ARG A 403 2.520 -12.422 -5.192 1.00 0.00 C ATOM 462 NE ARG A 403 3.886 -12.331 -5.700 1.00 0.00 N ATOM 463 CZ ARG A 403 4.197 -12.405 -6.989 1.00 0.00 C ATOM 464 NH1 ARG A 403 3.244 -12.569 -7.896 1.00 0.00 N ATOM 465 NH2 ARG A 403 5.464 -12.313 -7.374 1.00 0.00 N ATOM 0 H ARG A 403 0.272 -8.887 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 403 -0.447 -9.980 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 403 0.564 -10.996 -3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 403 -0.075 -12.157 -4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 403 1.531 -11.117 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 403 2.282 -10.288 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 403 2.544 -12.575 -4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 403 2.029 -13.293 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 403 4.643 -12.204 -5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 403 2.269 -12.639 -7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 403 3.486 -12.625 -8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 403 6.200 -12.185 -6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 403 5.702 -12.370 -8.364 1.00 0.00 H new ATOM 479 N SER A 404 -2.599 -10.242 -3.912 1.00 0.00 N ATOM 480 CA SER A 404 -3.962 -10.637 -3.575 1.00 0.00 C ATOM 481 C SER A 404 -4.928 -10.266 -4.696 1.00 0.00 C ATOM 482 O SER A 404 -5.941 -10.934 -4.905 1.00 0.00 O ATOM 483 CB SER A 404 -4.400 -9.972 -2.268 1.00 0.00 C ATOM 484 OG SER A 404 -3.414 -10.128 -1.262 1.00 0.00 O ATOM 0 H SER A 404 -2.133 -9.683 -3.198 1.00 0.00 H new ATOM 0 HA SER A 404 -3.979 -11.719 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 404 -4.584 -8.912 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 404 -5.340 -10.409 -1.931 1.00 0.00 H new ATOM 0 HG SER A 404 -3.716 -9.693 -0.437 1.00 0.00 H new ATOM 490 N HIS A 405 -4.607 -9.194 -5.414 1.00 0.00 N ATOM 491 CA HIS A 405 -5.446 -8.733 -6.515 1.00 0.00 C ATOM 492 C HIS A 405 -5.208 -9.571 -7.768 1.00 0.00 C ATOM 493 O HIS A 405 -6.103 -10.275 -8.234 1.00 0.00 O ATOM 494 CB HIS A 405 -5.168 -7.259 -6.813 1.00 0.00 C ATOM 495 CG HIS A 405 -5.240 -6.379 -5.603 1.00 0.00 C ATOM 496 ND1 HIS A 405 -6.407 -6.155 -4.904 1.00 0.00 N ATOM 497 CD2 HIS A 405 -4.280 -5.668 -4.967 1.00 0.00 C ATOM 498 CE1 HIS A 405 -6.162 -5.343 -3.892 1.00 0.00 C ATOM 499 NE2 HIS A 405 -4.878 -5.032 -3.907 1.00 0.00 N ATOM 0 H HIS A 405 -3.773 -8.629 -5.253 1.00 0.00 H new ATOM 0 HA HIS A 405 -6.488 -8.846 -6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 405 -4.178 -7.168 -7.260 1.00 0.00 H new ATOM 0 HB3 HIS A 405 -5.886 -6.905 -7.553 1.00 0.00 H new ATOM 0 HD1 HIS A 405 -7.317 -6.554 -5.133 1.00 0.00 H new ATOM 0 HD2 HIS A 405 -3.237 -5.611 -5.242 1.00 0.00 H new ATOM 0 HE1 HIS A 405 -6.888 -4.992 -3.174 1.00 0.00 H new ATOM 507 N ASP A 406 -3.996 -9.489 -8.307 1.00 0.00 N ATOM 508 CA ASP A 406 -3.640 -10.240 -9.505 1.00 0.00 C ATOM 509 C ASP A 406 -3.324 -11.693 -9.162 1.00 0.00 C ATOM 510 O ASP A 406 -2.167 -12.055 -8.957 1.00 0.00 O ATOM 511 CB ASP A 406 -2.441 -9.595 -10.200 1.00 0.00 C ATOM 512 CG ASP A 406 -2.103 -10.267 -11.516 1.00 0.00 C ATOM 513 OD1 ASP A 406 -3.034 -10.518 -12.310 1.00 0.00 O ATOM 514 OD2 ASP A 406 -0.908 -10.541 -11.753 1.00 0.00 O ATOM 0 H ASP A 406 -3.244 -8.910 -7.933 1.00 0.00 H new ATOM 0 HA ASP A 406 -4.494 -10.223 -10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -2.652 -8.541 -10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -1.575 -9.640 -9.540 1.00 0.00 H new ATOM 519 N GLY A 407 -4.363 -12.521 -9.100 1.00 0.00 N ATOM 520 CA GLY A 407 -4.175 -13.924 -8.780 1.00 0.00 C ATOM 521 C GLY A 407 -3.775 -14.745 -9.989 1.00 0.00 C ATOM 522 O GLY A 407 -4.450 -14.719 -11.018 1.00 0.00 O ATOM 0 H GLY A 407 -5.331 -12.245 -9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 407 -3.409 -14.019 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 407 -5.098 -14.325 -8.361 1.00 0.00 H new ATOM 526 N SER A 408 -2.671 -15.476 -9.867 1.00 0.00 N ATOM 527 CA SER A 408 -2.178 -16.305 -10.960 1.00 0.00 C ATOM 528 C SER A 408 -1.302 -17.437 -10.432 1.00 0.00 C ATOM 529 O SER A 408 -0.410 -17.216 -9.612 1.00 0.00 O ATOM 530 CB SER A 408 -1.388 -15.455 -11.956 1.00 0.00 C ATOM 531 OG SER A 408 -1.114 -16.181 -13.142 1.00 0.00 O ATOM 0 H SER A 408 -2.101 -15.511 -9.022 1.00 0.00 H new ATOM 0 HA SER A 408 -3.038 -16.742 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 408 -1.953 -14.555 -12.199 1.00 0.00 H new ATOM 0 HB3 SER A 408 -0.453 -15.131 -11.500 1.00 0.00 H new ATOM 0 HG SER A 408 -0.610 -15.615 -13.763 1.00 0.00 H new ATOM 537 N VAL A 409 -1.562 -18.650 -10.908 1.00 0.00 N ATOM 538 CA VAL A 409 -0.798 -19.818 -10.485 1.00 0.00 C ATOM 539 C VAL A 409 -1.163 -21.044 -11.315 1.00 0.00 C ATOM 540 O VAL A 409 -2.304 -21.195 -11.748 1.00 0.00 O ATOM 541 CB VAL A 409 -1.030 -20.132 -8.996 1.00 0.00 C ATOM 542 CG1 VAL A 409 -2.495 -20.451 -8.739 1.00 0.00 C ATOM 543 CG2 VAL A 409 -0.139 -21.281 -8.549 1.00 0.00 C ATOM 0 H VAL A 409 -2.296 -18.850 -11.587 1.00 0.00 H new ATOM 0 HA VAL A 409 0.255 -19.580 -10.638 1.00 0.00 H new ATOM 0 HB VAL A 409 -0.767 -19.250 -8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -2.639 -20.670 -7.681 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -3.108 -19.595 -9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -2.788 -21.317 -9.332 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -0.316 -21.490 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -0.368 -22.169 -9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 409 0.906 -21.009 -8.695 1.00 0.00 H new ATOM 553 N GLY A 410 -0.184 -21.917 -11.533 1.00 0.00 N ATOM 554 CA GLY A 410 -0.423 -23.120 -12.309 1.00 0.00 C ATOM 555 C GLY A 410 0.857 -23.866 -12.630 1.00 0.00 C ATOM 556 O GLY A 410 1.197 -24.058 -13.798 1.00 0.00 O ATOM 0 H GLY A 410 0.770 -21.813 -11.186 1.00 0.00 H new ATOM 0 HA2 GLY A 410 -1.095 -23.778 -11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 410 -0.928 -22.855 -13.238 1.00 0.00 H new ATOM 560 N LYS A 411 1.572 -24.286 -11.592 1.00 0.00 N ATOM 561 CA LYS A 411 2.822 -25.015 -11.767 1.00 0.00 C ATOM 562 C LYS A 411 2.632 -26.203 -12.705 1.00 0.00 C ATOM 563 O LYS A 411 1.511 -26.665 -12.917 1.00 0.00 O ATOM 564 CB LYS A 411 3.349 -25.498 -10.414 1.00 0.00 C ATOM 565 CG LYS A 411 2.418 -26.471 -9.712 1.00 0.00 C ATOM 566 CD LYS A 411 1.484 -25.755 -8.751 1.00 0.00 C ATOM 567 CE LYS A 411 1.081 -26.653 -7.592 1.00 0.00 C ATOM 568 NZ LYS A 411 0.356 -27.868 -8.057 1.00 0.00 N ATOM 0 H LYS A 411 1.306 -24.134 -10.619 1.00 0.00 H new ATOM 0 HA LYS A 411 3.550 -24.337 -12.212 1.00 0.00 H new ATOM 0 HB2 LYS A 411 4.318 -25.976 -10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 411 3.514 -24.635 -9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 411 1.832 -27.014 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 411 3.006 -27.209 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 411 1.973 -24.860 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 411 0.592 -25.427 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 411 1.971 -26.951 -7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 411 0.448 -26.094 -6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -0.019 -28.384 -7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -0.430 -27.587 -8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 1.010 -28.482 -8.583 1.00 0.00 H new ATOM 582 N SER A 412 3.735 -26.693 -13.262 1.00 0.00 N ATOM 583 CA SER A 412 3.689 -27.827 -14.178 1.00 0.00 C ATOM 584 C SER A 412 3.395 -29.121 -13.427 1.00 0.00 C ATOM 585 O SER A 412 3.529 -29.188 -12.206 1.00 0.00 O ATOM 586 CB SER A 412 5.013 -27.952 -14.934 1.00 0.00 C ATOM 587 OG SER A 412 6.101 -28.101 -14.037 1.00 0.00 O ATOM 0 H SER A 412 4.671 -26.323 -13.095 1.00 0.00 H new ATOM 0 HA SER A 412 2.885 -27.653 -14.893 1.00 0.00 H new ATOM 0 HB2 SER A 412 4.972 -28.809 -15.606 1.00 0.00 H new ATOM 0 HB3 SER A 412 5.167 -27.068 -15.553 1.00 0.00 H new ATOM 0 HG SER A 412 6.935 -28.181 -14.545 1.00 0.00 H new ATOM 593 N GLY A 413 2.992 -30.150 -14.167 1.00 0.00 N ATOM 594 CA GLY A 413 2.684 -31.429 -13.555 1.00 0.00 C ATOM 595 C GLY A 413 3.929 -32.184 -13.132 1.00 0.00 C ATOM 596 O GLY A 413 5.053 -31.799 -13.453 1.00 0.00 O ATOM 0 H GLY A 413 2.873 -30.120 -15.180 1.00 0.00 H new ATOM 0 HA2 GLY A 413 2.047 -31.268 -12.685 1.00 0.00 H new ATOM 0 HA3 GLY A 413 2.115 -32.037 -14.258 1.00 0.00 H new ATOM 600 N PRO A 414 3.734 -33.285 -12.392 1.00 0.00 N ATOM 601 CA PRO A 414 4.839 -34.118 -11.907 1.00 0.00 C ATOM 602 C PRO A 414 5.530 -34.878 -13.034 1.00 0.00 C ATOM 603 O PRO A 414 4.981 -35.837 -13.576 1.00 0.00 O ATOM 604 CB PRO A 414 4.153 -35.093 -10.946 1.00 0.00 C ATOM 605 CG PRO A 414 2.744 -35.165 -11.423 1.00 0.00 C ATOM 606 CD PRO A 414 2.421 -33.803 -11.972 1.00 0.00 C ATOM 0 HA PRO A 414 5.625 -33.522 -11.443 1.00 0.00 H new ATOM 0 HB2 PRO A 414 4.630 -36.073 -10.969 1.00 0.00 H new ATOM 0 HB3 PRO A 414 4.205 -34.737 -9.917 1.00 0.00 H new ATOM 0 HG2 PRO A 414 2.631 -35.931 -12.190 1.00 0.00 H new ATOM 0 HG3 PRO A 414 2.069 -35.427 -10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 414 1.726 -33.862 -12.809 1.00 0.00 H new ATOM 0 HD3 PRO A 414 1.959 -33.165 -11.218 1.00 0.00 H new ATOM 614 N SER A 415 6.737 -34.444 -13.382 1.00 0.00 N ATOM 615 CA SER A 415 7.502 -35.082 -14.447 1.00 0.00 C ATOM 616 C SER A 415 8.032 -36.440 -13.997 1.00 0.00 C ATOM 617 O SER A 415 8.239 -36.674 -12.806 1.00 0.00 O ATOM 618 CB SER A 415 8.664 -34.185 -14.877 1.00 0.00 C ATOM 619 OG SER A 415 8.242 -32.841 -15.029 1.00 0.00 O ATOM 0 H SER A 415 7.207 -33.653 -12.942 1.00 0.00 H new ATOM 0 HA SER A 415 6.837 -35.235 -15.297 1.00 0.00 H new ATOM 0 HB2 SER A 415 9.461 -34.237 -14.136 1.00 0.00 H new ATOM 0 HB3 SER A 415 9.079 -34.548 -15.817 1.00 0.00 H new ATOM 0 HG SER A 415 9.003 -32.288 -15.303 1.00 0.00 H new ATOM 625 N SER A 416 8.248 -37.332 -14.958 1.00 0.00 N ATOM 626 CA SER A 416 8.750 -38.669 -14.662 1.00 0.00 C ATOM 627 C SER A 416 10.066 -38.597 -13.894 1.00 0.00 C ATOM 628 O SER A 416 10.764 -37.584 -13.929 1.00 0.00 O ATOM 629 CB SER A 416 8.944 -39.462 -15.956 1.00 0.00 C ATOM 630 OG SER A 416 9.065 -40.848 -15.690 1.00 0.00 O ATOM 0 H SER A 416 8.083 -37.153 -15.949 1.00 0.00 H new ATOM 0 HA SER A 416 8.014 -39.178 -14.040 1.00 0.00 H new ATOM 0 HB2 SER A 416 8.099 -39.289 -16.623 1.00 0.00 H new ATOM 0 HB3 SER A 416 9.836 -39.108 -16.473 1.00 0.00 H new ATOM 0 HG SER A 416 9.186 -41.333 -16.533 1.00 0.00 H new ATOM 636 N GLY A 417 10.399 -39.680 -13.199 1.00 0.00 N ATOM 637 CA GLY A 417 11.630 -39.720 -12.431 1.00 0.00 C ATOM 638 C GLY A 417 11.383 -39.657 -10.937 1.00 0.00 C ATOM 639 O GLY A 417 11.842 -40.542 -10.216 1.00 0.00 O ATOM 0 H GLY A 417 9.838 -40.531 -13.154 1.00 0.00 H new ATOM 0 HA2 GLY A 417 12.173 -40.635 -12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 417 12.266 -38.886 -12.727 1.00 0.00 H new TER 643 GLY A 417 HETATM 644 ZN ZN A 201 -4.118 -3.428 -2.807 1.00 0.00 ZN