USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=15 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 401 HIS HE2 : A 401 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 405 HIS HE2 : A 405 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 374 SER OG : rot 180:sc= 0 USER MOD Single : A 375 SER OG : rot 180:sc= 0 USER MOD Single : A 377 SER OG : rot 15:sc= 0.209 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 393 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ 158:sc= -0.0758 (180deg=-0.693) USER MOD Single : A 398 MET CE :methyl -164:sc= -1.55 (180deg=-2.05) 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 404 SER OG : rot 180:sc= 0 USER MOD Single : A 408 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -13.114 18.722 -4.535 1.00 0.00 N ATOM 2 CA GLY A 373 -12.726 17.564 -5.320 1.00 0.00 C ATOM 3 C GLY A 373 -11.439 17.790 -6.089 1.00 0.00 C ATOM 4 O GLY A 373 -11.460 17.989 -7.303 1.00 0.00 O ATOM 0 HA2 GLY A 373 -12.605 16.705 -4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -13.525 17.318 -6.019 1.00 0.00 H new ATOM 8 N SER A 374 -10.315 17.760 -5.380 1.00 0.00 N ATOM 9 CA SER A 374 -9.013 17.969 -6.002 1.00 0.00 C ATOM 10 C SER A 374 -7.990 16.971 -5.468 1.00 0.00 C ATOM 11 O SER A 374 -7.815 16.831 -4.257 1.00 0.00 O ATOM 12 CB SER A 374 -8.527 19.398 -5.751 1.00 0.00 C ATOM 13 OG SER A 374 -9.121 20.305 -6.663 1.00 0.00 O ATOM 0 H SER A 374 -10.280 17.593 -4.374 1.00 0.00 H new ATOM 0 HA SER A 374 -9.122 17.813 -7.075 1.00 0.00 H new ATOM 0 HB2 SER A 374 -8.768 19.694 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 374 -7.442 19.439 -5.847 1.00 0.00 H new ATOM 0 HG SER A 374 -8.796 21.212 -6.481 1.00 0.00 H new ATOM 19 N SER A 375 -7.317 16.278 -6.381 1.00 0.00 N ATOM 20 CA SER A 375 -6.313 15.289 -6.003 1.00 0.00 C ATOM 21 C SER A 375 -4.927 15.715 -6.476 1.00 0.00 C ATOM 22 O SER A 375 -4.736 16.067 -7.640 1.00 0.00 O ATOM 23 CB SER A 375 -6.668 13.922 -6.590 1.00 0.00 C ATOM 24 OG SER A 375 -5.537 13.068 -6.614 1.00 0.00 O ATOM 0 H SER A 375 -7.448 16.383 -7.387 1.00 0.00 H new ATOM 0 HA SER A 375 -6.300 15.217 -4.915 1.00 0.00 H new ATOM 0 HB2 SER A 375 -7.461 13.464 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 375 -7.055 14.046 -7.601 1.00 0.00 H new ATOM 0 HG SER A 375 -5.790 12.200 -6.992 1.00 0.00 H new ATOM 30 N GLY A 376 -3.960 15.679 -5.564 1.00 0.00 N ATOM 31 CA GLY A 376 -2.603 16.063 -5.906 1.00 0.00 C ATOM 32 C GLY A 376 -1.565 15.268 -5.139 1.00 0.00 C ATOM 33 O GLY A 376 -0.988 15.760 -4.169 1.00 0.00 O ATOM 0 H GLY A 376 -4.092 15.391 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 376 -2.447 15.922 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 376 -2.467 17.125 -5.702 1.00 0.00 H new ATOM 37 N SER A 377 -1.326 14.035 -5.573 1.00 0.00 N ATOM 38 CA SER A 377 -0.355 13.168 -4.917 1.00 0.00 C ATOM 39 C SER A 377 0.999 13.861 -4.797 1.00 0.00 C ATOM 40 O SER A 377 1.551 14.345 -5.786 1.00 0.00 O ATOM 41 CB SER A 377 -0.202 11.858 -5.694 1.00 0.00 C ATOM 42 OG SER A 377 0.500 12.063 -6.907 1.00 0.00 O ATOM 0 H SER A 377 -1.792 13.614 -6.377 1.00 0.00 H new ATOM 0 HA SER A 377 -0.721 12.948 -3.914 1.00 0.00 H new ATOM 0 HB2 SER A 377 0.329 11.129 -5.082 1.00 0.00 H new ATOM 0 HB3 SER A 377 -1.186 11.440 -5.906 1.00 0.00 H new ATOM 0 HG SER A 377 0.943 12.937 -6.885 1.00 0.00 H new ATOM 48 N SER A 378 1.528 13.907 -3.579 1.00 0.00 N ATOM 49 CA SER A 378 2.815 14.544 -3.327 1.00 0.00 C ATOM 50 C SER A 378 3.855 13.516 -2.895 1.00 0.00 C ATOM 51 O SER A 378 3.947 13.165 -1.719 1.00 0.00 O ATOM 52 CB SER A 378 2.671 15.624 -2.253 1.00 0.00 C ATOM 53 OG SER A 378 3.696 16.596 -2.367 1.00 0.00 O ATOM 0 H SER A 378 1.085 13.510 -2.750 1.00 0.00 H new ATOM 0 HA SER A 378 3.152 15.007 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 378 1.697 16.105 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 378 2.708 15.166 -1.265 1.00 0.00 H new ATOM 0 HG SER A 378 3.581 17.276 -1.671 1.00 0.00 H new ATOM 59 N GLY A 379 4.638 13.036 -3.856 1.00 0.00 N ATOM 60 CA GLY A 379 5.662 12.052 -3.557 1.00 0.00 C ATOM 61 C GLY A 379 5.212 10.636 -3.857 1.00 0.00 C ATOM 62 O GLY A 379 4.107 10.239 -3.488 1.00 0.00 O ATOM 0 H GLY A 379 4.582 13.311 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 379 6.557 12.276 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 379 5.937 12.127 -2.505 1.00 0.00 H new ATOM 66 N GLU A 380 6.068 9.874 -4.529 1.00 0.00 N ATOM 67 CA GLU A 380 5.750 8.495 -4.880 1.00 0.00 C ATOM 68 C GLU A 380 6.818 7.539 -4.356 1.00 0.00 C ATOM 69 O GLU A 380 8.015 7.777 -4.519 1.00 0.00 O ATOM 70 CB GLU A 380 5.620 8.349 -6.398 1.00 0.00 C ATOM 71 CG GLU A 380 6.806 8.908 -7.167 1.00 0.00 C ATOM 72 CD GLU A 380 6.696 10.402 -7.403 1.00 0.00 C ATOM 73 OE1 GLU A 380 5.759 10.824 -8.112 1.00 0.00 O ATOM 74 OE2 GLU A 380 7.547 11.149 -6.877 1.00 0.00 O ATOM 0 H GLU A 380 6.987 10.188 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 380 4.798 8.239 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 380 5.503 7.294 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 380 4.713 8.856 -6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 380 7.723 8.697 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 380 6.886 8.397 -8.127 1.00 0.00 H new ATOM 81 N LYS A 381 6.376 6.458 -3.723 1.00 0.00 N ATOM 82 CA LYS A 381 7.291 5.464 -3.174 1.00 0.00 C ATOM 83 C LYS A 381 7.647 4.414 -4.221 1.00 0.00 C ATOM 84 O LYS A 381 6.949 4.238 -5.220 1.00 0.00 O ATOM 85 CB LYS A 381 6.669 4.789 -1.950 1.00 0.00 C ATOM 86 CG LYS A 381 6.952 5.514 -0.645 1.00 0.00 C ATOM 87 CD LYS A 381 6.074 4.996 0.482 1.00 0.00 C ATOM 88 CE LYS A 381 6.270 5.803 1.756 1.00 0.00 C ATOM 89 NZ LYS A 381 5.530 7.095 1.714 1.00 0.00 N ATOM 0 H LYS A 381 5.389 6.248 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 381 8.205 5.976 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 381 5.590 4.722 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.045 3.769 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 381 8.001 5.388 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 381 6.783 6.583 -0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.028 5.040 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 381 6.307 3.949 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 381 5.932 5.219 2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 381 7.332 5.998 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 5.689 7.615 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 5.870 7.664 0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.513 6.909 1.600 1.00 0.00 H new ATOM 103 N PRO A 382 8.757 3.698 -3.989 1.00 0.00 N ATOM 104 CA PRO A 382 9.229 2.651 -4.901 1.00 0.00 C ATOM 105 C PRO A 382 8.320 1.427 -4.898 1.00 0.00 C ATOM 106 O PRO A 382 8.358 0.611 -5.819 1.00 0.00 O ATOM 107 CB PRO A 382 10.610 2.294 -4.346 1.00 0.00 C ATOM 108 CG PRO A 382 10.544 2.658 -2.903 1.00 0.00 C ATOM 109 CD PRO A 382 9.637 3.854 -2.819 1.00 0.00 C ATOM 0 HA PRO A 382 9.246 2.989 -5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.828 1.234 -4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 382 11.398 2.847 -4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 382 10.155 1.831 -2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 382 11.535 2.892 -2.514 1.00 0.00 H new ATOM 0 HD2 PRO A 382 9.070 3.864 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 382 10.198 4.788 -2.860 1.00 0.00 H new ATOM 117 N TYR A 383 7.503 1.305 -3.857 1.00 0.00 N ATOM 118 CA TYR A 383 6.586 0.178 -3.733 1.00 0.00 C ATOM 119 C TYR A 383 5.206 0.647 -3.281 1.00 0.00 C ATOM 120 O TYR A 383 5.057 1.233 -2.209 1.00 0.00 O ATOM 121 CB TYR A 383 7.137 -0.849 -2.743 1.00 0.00 C ATOM 122 CG TYR A 383 8.603 -1.162 -2.948 1.00 0.00 C ATOM 123 CD1 TYR A 383 9.064 -1.662 -4.160 1.00 0.00 C ATOM 124 CD2 TYR A 383 9.526 -0.956 -1.931 1.00 0.00 C ATOM 125 CE1 TYR A 383 10.401 -1.949 -4.351 1.00 0.00 C ATOM 126 CE2 TYR A 383 10.866 -1.239 -2.113 1.00 0.00 C ATOM 127 CZ TYR A 383 11.298 -1.736 -3.325 1.00 0.00 C ATOM 128 OH TYR A 383 12.632 -2.020 -3.512 1.00 0.00 O ATOM 0 H TYR A 383 7.457 1.973 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 383 6.489 -0.289 -4.713 1.00 0.00 H new ATOM 0 HB2 TYR A 383 6.992 -0.478 -1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 383 6.562 -1.771 -2.830 1.00 0.00 H new ATOM 0 HD1 TYR A 383 8.365 -1.829 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 383 9.190 -0.568 -0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 383 10.743 -2.338 -5.299 1.00 0.00 H new ATOM 0 HE2 TYR A 383 11.571 -1.072 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 383 13.129 -1.813 -2.693 1.00 0.00 H new ATOM 138 N SER A 384 4.199 0.382 -4.107 1.00 0.00 N ATOM 139 CA SER A 384 2.830 0.779 -3.795 1.00 0.00 C ATOM 140 C SER A 384 1.828 -0.155 -4.467 1.00 0.00 C ATOM 141 O SER A 384 2.198 -0.996 -5.288 1.00 0.00 O ATOM 142 CB SER A 384 2.580 2.220 -4.242 1.00 0.00 C ATOM 143 OG SER A 384 2.713 2.349 -5.647 1.00 0.00 O ATOM 0 H SER A 384 4.305 -0.105 -4.997 1.00 0.00 H new ATOM 0 HA SER A 384 2.695 0.713 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 384 1.580 2.530 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 384 3.285 2.886 -3.744 1.00 0.00 H new ATOM 0 HG SER A 384 2.547 3.279 -5.907 1.00 0.00 H new ATOM 149 N CYS A 385 0.557 -0.001 -4.113 1.00 0.00 N ATOM 150 CA CYS A 385 -0.501 -0.829 -4.680 1.00 0.00 C ATOM 151 C CYS A 385 -1.467 0.013 -5.507 1.00 0.00 C ATOM 152 O CYS A 385 -2.593 0.296 -5.096 1.00 0.00 O ATOM 153 CB CYS A 385 -1.262 -1.553 -3.567 1.00 0.00 C ATOM 154 SG CYS A 385 -2.319 -2.916 -4.154 1.00 0.00 S ATOM 0 H CYS A 385 0.234 0.690 -3.436 1.00 0.00 H new ATOM 0 HA CYS A 385 -0.039 -1.567 -5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -0.544 -1.948 -2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -1.881 -0.830 -3.035 1.00 0.00 H new ATOM 159 N PRO A 386 -1.019 0.425 -6.703 1.00 0.00 N ATOM 160 CA PRO A 386 -1.828 1.240 -7.614 1.00 0.00 C ATOM 161 C PRO A 386 -2.994 0.459 -8.210 1.00 0.00 C ATOM 162 O PRO A 386 -3.889 1.036 -8.828 1.00 0.00 O ATOM 163 CB PRO A 386 -0.835 1.639 -8.708 1.00 0.00 C ATOM 164 CG PRO A 386 0.200 0.568 -8.690 1.00 0.00 C ATOM 165 CD PRO A 386 0.312 0.125 -7.257 1.00 0.00 C ATOM 0 HA PRO A 386 -2.286 2.088 -7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -1.322 1.702 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -0.397 2.617 -8.507 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -0.087 -0.263 -9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 386 1.155 0.942 -9.059 1.00 0.00 H new ATOM 0 HD2 PRO A 386 0.549 -0.936 -7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 386 1.098 0.665 -6.729 1.00 0.00 H new ATOM 173 N VAL A 387 -2.977 -0.856 -8.021 1.00 0.00 N ATOM 174 CA VAL A 387 -4.034 -1.716 -8.540 1.00 0.00 C ATOM 175 C VAL A 387 -5.375 -1.392 -7.890 1.00 0.00 C ATOM 176 O VAL A 387 -6.403 -1.325 -8.564 1.00 0.00 O ATOM 177 CB VAL A 387 -3.711 -3.204 -8.308 1.00 0.00 C ATOM 178 CG1 VAL A 387 -4.839 -4.083 -8.828 1.00 0.00 C ATOM 179 CG2 VAL A 387 -2.391 -3.571 -8.969 1.00 0.00 C ATOM 0 H VAL A 387 -2.243 -1.349 -7.512 1.00 0.00 H new ATOM 0 HA VAL A 387 -4.098 -1.528 -9.612 1.00 0.00 H new ATOM 0 HB VAL A 387 -3.615 -3.374 -7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -4.593 -5.131 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 387 -5.763 -3.836 -8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -4.970 -3.912 -9.897 1.00 0.00 H new ATOM 0 HG21 VAL A 387 -2.178 -4.626 -8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 387 -2.457 -3.386 -10.041 1.00 0.00 H new ATOM 0 HG23 VAL A 387 -1.591 -2.965 -8.545 1.00 0.00 H new ATOM 189 N CYS A 388 -5.356 -1.190 -6.577 1.00 0.00 N ATOM 190 CA CYS A 388 -6.570 -0.873 -5.834 1.00 0.00 C ATOM 191 C CYS A 388 -6.479 0.519 -5.214 1.00 0.00 C ATOM 192 O CYS A 388 -7.495 1.166 -4.963 1.00 0.00 O ATOM 193 CB CYS A 388 -6.812 -1.916 -4.742 1.00 0.00 C ATOM 194 SG CYS A 388 -5.649 -1.812 -3.344 1.00 0.00 S ATOM 0 H CYS A 388 -4.513 -1.240 -6.005 1.00 0.00 H new ATOM 0 HA CYS A 388 -7.408 -0.887 -6.531 1.00 0.00 H new ATOM 0 HB2 CYS A 388 -7.828 -1.802 -4.365 1.00 0.00 H new ATOM 0 HB3 CYS A 388 -6.745 -2.911 -5.183 1.00 0.00 H new ATOM 199 N GLY A 389 -5.254 0.973 -4.968 1.00 0.00 N ATOM 200 CA GLY A 389 -5.052 2.284 -4.379 1.00 0.00 C ATOM 201 C GLY A 389 -4.644 2.208 -2.922 1.00 0.00 C ATOM 202 O GLY A 389 -5.457 2.448 -2.028 1.00 0.00 O ATOM 0 H GLY A 389 -4.397 0.456 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 389 -4.285 2.817 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 389 -5.971 2.864 -4.466 1.00 0.00 H new ATOM 206 N LEU A 390 -3.382 1.871 -2.679 1.00 0.00 N ATOM 207 CA LEU A 390 -2.867 1.762 -1.318 1.00 0.00 C ATOM 208 C LEU A 390 -1.344 1.685 -1.317 1.00 0.00 C ATOM 209 O LEU A 390 -0.762 0.710 -1.793 1.00 0.00 O ATOM 210 CB LEU A 390 -3.453 0.529 -0.628 1.00 0.00 C ATOM 211 CG LEU A 390 -3.396 0.526 0.900 1.00 0.00 C ATOM 212 CD1 LEU A 390 -4.640 1.178 1.482 1.00 0.00 C ATOM 213 CD2 LEU A 390 -3.240 -0.894 1.425 1.00 0.00 C ATOM 0 H LEU A 390 -2.696 1.668 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 390 -3.167 2.655 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.494 0.427 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -2.926 -0.352 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 390 -2.527 1.105 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -4.581 1.167 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -4.708 2.208 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -5.524 0.627 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -3.201 -0.877 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -4.089 -1.497 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -2.318 -1.327 1.036 1.00 0.00 H new ATOM 225 N ARG A 391 -0.704 2.718 -0.778 1.00 0.00 N ATOM 226 CA ARG A 391 0.751 2.766 -0.713 1.00 0.00 C ATOM 227 C ARG A 391 1.280 1.816 0.357 1.00 0.00 C ATOM 228 O ARG A 391 0.549 1.416 1.263 1.00 0.00 O ATOM 229 CB ARG A 391 1.223 4.192 -0.423 1.00 0.00 C ATOM 230 CG ARG A 391 1.133 5.120 -1.624 1.00 0.00 C ATOM 231 CD ARG A 391 1.902 6.410 -1.390 1.00 0.00 C ATOM 232 NE ARG A 391 1.770 7.337 -2.511 1.00 0.00 N ATOM 233 CZ ARG A 391 0.645 7.978 -2.805 1.00 0.00 C ATOM 234 NH1 ARG A 391 -0.440 7.795 -2.066 1.00 0.00 N ATOM 235 NH2 ARG A 391 0.603 8.806 -3.842 1.00 0.00 N ATOM 0 H ARG A 391 -1.171 3.533 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 391 1.143 2.450 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 391 0.626 4.605 0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 391 2.256 4.160 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 391 1.527 4.615 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 391 0.088 5.350 -1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 391 1.540 6.888 -0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 391 2.956 6.180 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 391 2.586 7.501 -3.100 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -0.413 7.160 -1.268 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -1.302 8.289 -2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 391 1.435 8.950 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -0.262 9.298 -4.067 1.00 0.00 H new ATOM 249 N PHE A 392 2.555 1.458 0.246 1.00 0.00 N ATOM 250 CA PHE A 392 3.181 0.553 1.203 1.00 0.00 C ATOM 251 C PHE A 392 4.623 0.969 1.480 1.00 0.00 C ATOM 252 O PHE A 392 5.209 1.755 0.736 1.00 0.00 O ATOM 253 CB PHE A 392 3.145 -0.884 0.678 1.00 0.00 C ATOM 254 CG PHE A 392 1.815 -1.556 0.865 1.00 0.00 C ATOM 255 CD1 PHE A 392 0.800 -1.383 -0.062 1.00 0.00 C ATOM 256 CD2 PHE A 392 1.581 -2.363 1.966 1.00 0.00 C ATOM 257 CE1 PHE A 392 -0.425 -2.000 0.108 1.00 0.00 C ATOM 258 CE2 PHE A 392 0.358 -2.983 2.141 1.00 0.00 C ATOM 259 CZ PHE A 392 -0.646 -2.803 1.210 1.00 0.00 C ATOM 0 H PHE A 392 3.175 1.781 -0.497 1.00 0.00 H new ATOM 0 HA PHE A 392 2.620 0.605 2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 392 3.396 -0.881 -0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 392 3.913 -1.468 1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 392 0.968 -0.759 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 392 2.363 -2.510 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 392 -1.209 -1.854 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 392 0.188 -3.608 3.005 1.00 0.00 H new ATOM 0 HZ PHE A 392 -1.601 -3.289 1.343 1.00 0.00 H new ATOM 269 N LYS A 393 5.189 0.436 2.558 1.00 0.00 N ATOM 270 CA LYS A 393 6.562 0.750 2.936 1.00 0.00 C ATOM 271 C LYS A 393 7.455 -0.480 2.810 1.00 0.00 C ATOM 272 O LYS A 393 8.615 -0.378 2.409 1.00 0.00 O ATOM 273 CB LYS A 393 6.609 1.282 4.370 1.00 0.00 C ATOM 274 CG LYS A 393 6.195 2.739 4.492 1.00 0.00 C ATOM 275 CD LYS A 393 4.694 2.878 4.682 1.00 0.00 C ATOM 276 CE LYS A 393 4.341 4.169 5.406 1.00 0.00 C ATOM 277 NZ LYS A 393 3.041 4.065 6.124 1.00 0.00 N ATOM 0 H LYS A 393 4.718 -0.216 3.185 1.00 0.00 H new ATOM 0 HA LYS A 393 6.933 1.518 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 393 5.956 0.674 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 393 7.621 1.167 4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 393 6.713 3.196 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 393 6.501 3.281 3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 393 4.200 2.857 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 393 4.318 2.027 5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 393 5.130 4.414 6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 393 4.294 4.987 4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 393 2.837 4.965 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 393 2.284 3.857 5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 393 3.093 3.301 6.828 1.00 0.00 H new ATOM 291 N ARG A 394 6.908 -1.641 3.152 1.00 0.00 N ATOM 292 CA ARG A 394 7.656 -2.891 3.077 1.00 0.00 C ATOM 293 C ARG A 394 7.616 -3.463 1.663 1.00 0.00 C ATOM 294 O ARG A 394 6.610 -3.348 0.963 1.00 0.00 O ATOM 295 CB ARG A 394 7.090 -3.909 4.068 1.00 0.00 C ATOM 296 CG ARG A 394 7.560 -3.695 5.497 1.00 0.00 C ATOM 297 CD ARG A 394 6.735 -2.629 6.201 1.00 0.00 C ATOM 298 NE ARG A 394 7.142 -2.451 7.592 1.00 0.00 N ATOM 299 CZ ARG A 394 8.265 -1.844 7.957 1.00 0.00 C ATOM 300 NH1 ARG A 394 9.089 -1.359 7.039 1.00 0.00 N ATOM 301 NH2 ARG A 394 8.567 -1.722 9.244 1.00 0.00 N ATOM 0 H ARG A 394 5.949 -1.743 3.484 1.00 0.00 H new ATOM 0 HA ARG A 394 8.694 -2.681 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 394 6.001 -3.862 4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 394 7.374 -4.912 3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 394 7.491 -4.633 6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 394 8.610 -3.402 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 394 6.837 -1.683 5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 394 5.681 -2.904 6.164 1.00 0.00 H new ATOM 0 HE ARG A 394 6.530 -2.813 8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 394 8.861 -1.452 6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 394 9.951 -0.893 7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 394 7.936 -2.095 9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 394 9.430 -1.256 9.523 1.00 0.00 H new ATOM 315 N LYS A 395 8.717 -4.081 1.249 1.00 0.00 N ATOM 316 CA LYS A 395 8.810 -4.673 -0.080 1.00 0.00 C ATOM 317 C LYS A 395 8.325 -6.119 -0.066 1.00 0.00 C ATOM 318 O LYS A 395 7.844 -6.632 -1.077 1.00 0.00 O ATOM 319 CB LYS A 395 10.252 -4.612 -0.589 1.00 0.00 C ATOM 320 CG LYS A 395 10.371 -4.750 -2.097 1.00 0.00 C ATOM 321 CD LYS A 395 10.539 -6.201 -2.513 1.00 0.00 C ATOM 322 CE LYS A 395 12.006 -6.599 -2.567 1.00 0.00 C ATOM 323 NZ LYS A 395 12.495 -7.096 -1.251 1.00 0.00 N ATOM 0 H LYS A 395 9.559 -4.185 1.816 1.00 0.00 H new ATOM 0 HA LYS A 395 8.170 -4.100 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 395 10.697 -3.665 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 395 10.830 -5.404 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.482 -4.335 -2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 395 11.223 -4.168 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 395 10.012 -6.846 -1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 395 10.083 -6.355 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 395 12.145 -7.373 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 395 12.604 -5.742 -2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 13.338 -7.688 -1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 12.739 -6.288 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 11.750 -7.659 -0.794 1.00 0.00 H new ATOM 337 N ASP A 396 8.454 -6.771 1.084 1.00 0.00 N ATOM 338 CA ASP A 396 8.026 -8.157 1.230 1.00 0.00 C ATOM 339 C ASP A 396 6.541 -8.235 1.570 1.00 0.00 C ATOM 340 O ASP A 396 5.872 -9.218 1.252 1.00 0.00 O ATOM 341 CB ASP A 396 8.848 -8.855 2.314 1.00 0.00 C ATOM 342 CG ASP A 396 10.255 -9.183 1.854 1.00 0.00 C ATOM 343 OD1 ASP A 396 10.441 -9.425 0.643 1.00 0.00 O ATOM 344 OD2 ASP A 396 11.169 -9.200 2.704 1.00 0.00 O ATOM 0 H ASP A 396 8.852 -6.362 1.929 1.00 0.00 H new ATOM 0 HA ASP A 396 8.189 -8.664 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 396 8.897 -8.216 3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 396 8.343 -9.774 2.613 1.00 0.00 H new ATOM 349 N ARG A 397 6.033 -7.193 2.220 1.00 0.00 N ATOM 350 CA ARG A 397 4.628 -7.145 2.606 1.00 0.00 C ATOM 351 C ARG A 397 3.755 -6.719 1.429 1.00 0.00 C ATOM 352 O ARG A 397 2.740 -7.350 1.136 1.00 0.00 O ATOM 353 CB ARG A 397 4.431 -6.180 3.777 1.00 0.00 C ATOM 354 CG ARG A 397 5.327 -6.477 4.968 1.00 0.00 C ATOM 355 CD ARG A 397 4.803 -7.652 5.779 1.00 0.00 C ATOM 356 NE ARG A 397 3.574 -7.319 6.495 1.00 0.00 N ATOM 357 CZ ARG A 397 2.927 -8.172 7.280 1.00 0.00 C ATOM 358 NH1 ARG A 397 3.389 -9.403 7.451 1.00 0.00 N ATOM 359 NH2 ARG A 397 1.814 -7.795 7.897 1.00 0.00 N ATOM 0 H ARG A 397 6.573 -6.371 2.490 1.00 0.00 H new ATOM 0 HA ARG A 397 4.328 -8.146 2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 397 4.621 -5.163 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 397 3.390 -6.219 4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 397 6.337 -6.695 4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 397 5.393 -5.595 5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 397 4.618 -8.497 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 397 5.564 -7.968 6.493 1.00 0.00 H new ATOM 0 HE ARG A 397 3.192 -6.380 6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 397 4.244 -9.697 6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 397 2.889 -10.056 8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 397 1.455 -6.849 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 397 1.318 -8.451 8.500 1.00 0.00 H new ATOM 373 N MET A 398 4.158 -5.644 0.759 1.00 0.00 N ATOM 374 CA MET A 398 3.413 -5.134 -0.386 1.00 0.00 C ATOM 375 C MET A 398 3.230 -6.219 -1.442 1.00 0.00 C ATOM 376 O MET A 398 2.237 -6.230 -2.169 1.00 0.00 O ATOM 377 CB MET A 398 4.133 -3.929 -0.994 1.00 0.00 C ATOM 378 CG MET A 398 5.495 -4.266 -1.578 1.00 0.00 C ATOM 379 SD MET A 398 5.422 -4.643 -3.340 1.00 0.00 S ATOM 380 CE MET A 398 7.166 -4.761 -3.733 1.00 0.00 C ATOM 0 H MET A 398 4.996 -5.110 0.989 1.00 0.00 H new ATOM 0 HA MET A 398 2.428 -4.821 -0.038 1.00 0.00 H new ATOM 0 HB2 MET A 398 3.508 -3.499 -1.776 1.00 0.00 H new ATOM 0 HB3 MET A 398 4.255 -3.164 -0.227 1.00 0.00 H new ATOM 0 HG2 MET A 398 6.172 -3.427 -1.418 1.00 0.00 H new ATOM 0 HG3 MET A 398 5.913 -5.120 -1.045 1.00 0.00 H new ATOM 0 HE1 MET A 398 7.300 -4.706 -4.813 1.00 0.00 H new ATOM 0 HE2 MET A 398 7.702 -3.939 -3.258 1.00 0.00 H new ATOM 0 HE3 MET A 398 7.558 -5.710 -3.367 1.00 0.00 H new ATOM 390 N SER A 399 4.196 -7.129 -1.522 1.00 0.00 N ATOM 391 CA SER A 399 4.143 -8.216 -2.493 1.00 0.00 C ATOM 392 C SER A 399 3.046 -9.213 -2.134 1.00 0.00 C ATOM 393 O SER A 399 2.507 -9.900 -3.002 1.00 0.00 O ATOM 394 CB SER A 399 5.494 -8.931 -2.564 1.00 0.00 C ATOM 395 OG SER A 399 5.488 -9.933 -3.566 1.00 0.00 O ATOM 0 H SER A 399 5.024 -7.135 -0.927 1.00 0.00 H new ATOM 0 HA SER A 399 3.915 -7.787 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 399 6.282 -8.207 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 399 5.723 -9.380 -1.597 1.00 0.00 H new ATOM 0 HG SER A 399 6.363 -10.374 -3.593 1.00 0.00 H new ATOM 401 N TYR A 400 2.719 -9.285 -0.849 1.00 0.00 N ATOM 402 CA TYR A 400 1.688 -10.200 -0.372 1.00 0.00 C ATOM 403 C TYR A 400 0.298 -9.605 -0.575 1.00 0.00 C ATOM 404 O TYR A 400 -0.688 -10.332 -0.704 1.00 0.00 O ATOM 405 CB TYR A 400 1.907 -10.522 1.107 1.00 0.00 C ATOM 406 CG TYR A 400 1.161 -11.751 1.575 1.00 0.00 C ATOM 407 CD1 TYR A 400 1.312 -12.970 0.925 1.00 0.00 C ATOM 408 CD2 TYR A 400 0.305 -11.694 2.668 1.00 0.00 C ATOM 409 CE1 TYR A 400 0.632 -14.095 1.349 1.00 0.00 C ATOM 410 CE2 TYR A 400 -0.378 -12.814 3.100 1.00 0.00 C ATOM 411 CZ TYR A 400 -0.212 -14.012 2.437 1.00 0.00 C ATOM 412 OH TYR A 400 -0.890 -15.131 2.864 1.00 0.00 O ATOM 0 H TYR A 400 3.153 -8.721 -0.118 1.00 0.00 H new ATOM 0 HA TYR A 400 1.758 -11.121 -0.951 1.00 0.00 H new ATOM 0 HB2 TYR A 400 2.973 -10.664 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 400 1.595 -9.667 1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 400 1.973 -13.039 0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 400 0.171 -10.757 3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 400 0.760 -15.034 0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 400 -1.038 -12.752 3.952 1.00 0.00 H new ATOM 0 HH TYR A 400 -1.441 -14.903 3.642 1.00 0.00 H new ATOM 422 N HIS A 401 0.226 -8.278 -0.601 1.00 0.00 N ATOM 423 CA HIS A 401 -1.043 -7.584 -0.789 1.00 0.00 C ATOM 424 C HIS A 401 -1.313 -7.337 -2.270 1.00 0.00 C ATOM 425 O HIS A 401 -2.357 -7.724 -2.794 1.00 0.00 O ATOM 426 CB HIS A 401 -1.039 -6.257 -0.030 1.00 0.00 C ATOM 427 CG HIS A 401 -2.240 -5.406 -0.306 1.00 0.00 C ATOM 428 ND1 HIS A 401 -3.492 -5.682 0.203 1.00 0.00 N ATOM 429 CD2 HIS A 401 -2.376 -4.278 -1.043 1.00 0.00 C ATOM 430 CE1 HIS A 401 -4.345 -4.762 -0.209 1.00 0.00 C ATOM 431 NE2 HIS A 401 -3.694 -3.898 -0.967 1.00 0.00 N ATOM 0 H HIS A 401 1.032 -7.662 -0.494 1.00 0.00 H new ATOM 0 HA HIS A 401 -1.838 -8.217 -0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 401 -0.986 -6.460 1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 401 -0.140 -5.699 -0.294 1.00 0.00 H new ATOM 0 HD1 HIS A 401 -3.723 -6.473 0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 401 -1.594 -3.771 -1.589 1.00 0.00 H new ATOM 0 HE1 HIS A 401 -5.397 -4.723 0.033 1.00 0.00 H new ATOM 439 N VAL A 402 -0.364 -6.689 -2.939 1.00 0.00 N ATOM 440 CA VAL A 402 -0.500 -6.390 -4.359 1.00 0.00 C ATOM 441 C VAL A 402 -0.806 -7.650 -5.160 1.00 0.00 C ATOM 442 O VAL A 402 -1.436 -7.590 -6.215 1.00 0.00 O ATOM 443 CB VAL A 402 0.778 -5.736 -4.920 1.00 0.00 C ATOM 444 CG1 VAL A 402 0.628 -5.460 -6.408 1.00 0.00 C ATOM 445 CG2 VAL A 402 1.098 -4.457 -4.161 1.00 0.00 C ATOM 0 H VAL A 402 0.506 -6.362 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.331 -5.691 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 402 1.609 -6.429 -4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.540 -4.998 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 402 0.450 -6.397 -6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -0.214 -4.787 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.003 -4.008 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 402 0.269 -3.757 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.252 -4.688 -3.107 1.00 0.00 H new ATOM 455 N ARG A 403 -0.355 -8.792 -4.650 1.00 0.00 N ATOM 456 CA ARG A 403 -0.579 -10.068 -5.318 1.00 0.00 C ATOM 457 C ARG A 403 -2.003 -10.563 -5.080 1.00 0.00 C ATOM 458 O ARG A 403 -2.586 -11.237 -5.929 1.00 0.00 O ATOM 459 CB ARG A 403 0.424 -11.111 -4.822 1.00 0.00 C ATOM 460 CG ARG A 403 1.758 -11.067 -5.550 1.00 0.00 C ATOM 461 CD ARG A 403 1.672 -11.740 -6.911 1.00 0.00 C ATOM 462 NE ARG A 403 1.544 -13.190 -6.798 1.00 0.00 N ATOM 463 CZ ARG A 403 1.495 -14.007 -7.845 1.00 0.00 C ATOM 464 NH1 ARG A 403 1.564 -13.519 -9.075 1.00 0.00 N ATOM 465 NH2 ARG A 403 1.377 -15.316 -7.661 1.00 0.00 N ATOM 0 H ARG A 403 0.168 -8.859 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 403 -0.438 -9.919 -6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 403 0.596 -10.959 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 403 -0.010 -12.104 -4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 403 2.072 -10.031 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 403 2.520 -11.560 -4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 403 0.817 -11.342 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 403 2.563 -11.499 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 403 1.489 -13.598 -5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 403 1.655 -12.514 -9.220 1.00 0.00 H new ATOM 0 HH12 ARG A 403 1.526 -14.149 -9.876 1.00 0.00 H new ATOM 0 HH21 ARG A 403 1.324 -15.695 -6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 403 1.339 -15.943 -8.465 1.00 0.00 H new ATOM 479 N SER A 404 -2.556 -10.224 -3.920 1.00 0.00 N ATOM 480 CA SER A 404 -3.909 -10.637 -3.568 1.00 0.00 C ATOM 481 C SER A 404 -4.894 -10.267 -4.672 1.00 0.00 C ATOM 482 O SER A 404 -5.904 -10.943 -4.872 1.00 0.00 O ATOM 483 CB SER A 404 -4.336 -9.990 -2.249 1.00 0.00 C ATOM 484 OG SER A 404 -5.382 -10.724 -1.637 1.00 0.00 O ATOM 0 H SER A 404 -2.087 -9.664 -3.208 1.00 0.00 H new ATOM 0 HA SER A 404 -3.913 -11.721 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 404 -3.482 -9.936 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 404 -4.664 -8.967 -2.432 1.00 0.00 H new ATOM 0 HG SER A 404 -5.636 -10.291 -0.795 1.00 0.00 H new ATOM 490 N HIS A 405 -4.594 -9.187 -5.387 1.00 0.00 N ATOM 491 CA HIS A 405 -5.452 -8.725 -6.472 1.00 0.00 C ATOM 492 C HIS A 405 -5.268 -9.589 -7.716 1.00 0.00 C ATOM 493 O HIS A 405 -6.220 -9.846 -8.453 1.00 0.00 O ATOM 494 CB HIS A 405 -5.150 -7.264 -6.803 1.00 0.00 C ATOM 495 CG HIS A 405 -5.250 -6.349 -5.622 1.00 0.00 C ATOM 496 ND1 HIS A 405 -6.451 -5.992 -5.045 1.00 0.00 N ATOM 497 CD2 HIS A 405 -4.289 -5.718 -4.906 1.00 0.00 C ATOM 498 CE1 HIS A 405 -6.224 -5.181 -4.028 1.00 0.00 C ATOM 499 NE2 HIS A 405 -4.920 -4.999 -3.922 1.00 0.00 N ATOM 0 H HIS A 405 -3.763 -8.616 -5.234 1.00 0.00 H new ATOM 0 HA HIS A 405 -6.488 -8.808 -6.143 1.00 0.00 H new ATOM 0 HB2 HIS A 405 -4.146 -7.195 -7.222 1.00 0.00 H new ATOM 0 HB3 HIS A 405 -5.841 -6.925 -7.575 1.00 0.00 H new ATOM 0 HD1 HIS A 405 -7.371 -6.305 -5.355 1.00 0.00 H new ATOM 0 HD2 HIS A 405 -3.224 -5.771 -5.078 1.00 0.00 H new ATOM 0 HE1 HIS A 405 -6.977 -4.741 -3.391 1.00 0.00 H new ATOM 507 N ASP A 406 -4.037 -10.034 -7.944 1.00 0.00 N ATOM 508 CA ASP A 406 -3.728 -10.870 -9.099 1.00 0.00 C ATOM 509 C ASP A 406 -4.385 -12.240 -8.970 1.00 0.00 C ATOM 510 O ASP A 406 -4.006 -13.044 -8.120 1.00 0.00 O ATOM 511 CB ASP A 406 -2.214 -11.029 -9.249 1.00 0.00 C ATOM 512 CG ASP A 406 -1.831 -11.737 -10.534 1.00 0.00 C ATOM 513 OD1 ASP A 406 -2.375 -11.373 -11.597 1.00 0.00 O ATOM 514 OD2 ASP A 406 -0.988 -12.657 -10.476 1.00 0.00 O ATOM 0 H ASP A 406 -3.237 -9.830 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 406 -4.124 -10.380 -9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -1.744 -10.046 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -1.824 -11.589 -8.399 1.00 0.00 H new ATOM 519 N GLY A 407 -5.375 -12.499 -9.819 1.00 0.00 N ATOM 520 CA GLY A 407 -6.071 -13.772 -9.783 1.00 0.00 C ATOM 521 C GLY A 407 -7.292 -13.739 -8.886 1.00 0.00 C ATOM 522 O GLY A 407 -7.171 -13.727 -7.661 1.00 0.00 O ATOM 0 H GLY A 407 -5.708 -11.849 -10.532 1.00 0.00 H new ATOM 0 HA2 GLY A 407 -6.374 -14.046 -10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 407 -5.388 -14.546 -9.434 1.00 0.00 H new ATOM 526 N SER A 408 -8.473 -13.724 -9.497 1.00 0.00 N ATOM 527 CA SER A 408 -9.722 -13.687 -8.745 1.00 0.00 C ATOM 528 C SER A 408 -10.105 -15.082 -8.260 1.00 0.00 C ATOM 529 O SER A 408 -9.612 -16.087 -8.772 1.00 0.00 O ATOM 530 CB SER A 408 -10.844 -13.109 -9.609 1.00 0.00 C ATOM 531 OG SER A 408 -11.972 -12.770 -8.820 1.00 0.00 O ATOM 0 H SER A 408 -8.591 -13.737 -10.510 1.00 0.00 H new ATOM 0 HA SER A 408 -9.576 -13.046 -7.875 1.00 0.00 H new ATOM 0 HB2 SER A 408 -10.484 -12.224 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 408 -11.133 -13.835 -10.369 1.00 0.00 H new ATOM 0 HG SER A 408 -12.675 -12.401 -9.395 1.00 0.00 H new ATOM 537 N VAL A 409 -10.988 -15.134 -7.268 1.00 0.00 N ATOM 538 CA VAL A 409 -11.440 -16.405 -6.713 1.00 0.00 C ATOM 539 C VAL A 409 -12.592 -16.982 -7.528 1.00 0.00 C ATOM 540 O VAL A 409 -12.744 -18.198 -7.632 1.00 0.00 O ATOM 541 CB VAL A 409 -11.889 -16.249 -5.248 1.00 0.00 C ATOM 542 CG1 VAL A 409 -13.092 -15.323 -5.154 1.00 0.00 C ATOM 543 CG2 VAL A 409 -12.203 -17.608 -4.640 1.00 0.00 C ATOM 0 H VAL A 409 -11.405 -14.311 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 409 -10.592 -17.088 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 409 -11.072 -15.803 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -13.395 -15.225 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -12.828 -14.342 -5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -13.916 -15.738 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -12.519 -17.479 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -13.003 -18.084 -5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -11.312 -18.236 -4.672 1.00 0.00 H new ATOM 553 N GLY A 410 -13.402 -16.100 -8.105 1.00 0.00 N ATOM 554 CA GLY A 410 -14.530 -16.541 -8.904 1.00 0.00 C ATOM 555 C GLY A 410 -14.109 -17.417 -10.067 1.00 0.00 C ATOM 556 O GLY A 410 -14.466 -18.594 -10.129 1.00 0.00 O ATOM 0 H GLY A 410 -13.297 -15.088 -8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 410 -15.226 -17.092 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 410 -15.065 -15.670 -9.284 1.00 0.00 H new ATOM 560 N LYS A 411 -13.349 -16.844 -10.994 1.00 0.00 N ATOM 561 CA LYS A 411 -12.879 -17.580 -12.162 1.00 0.00 C ATOM 562 C LYS A 411 -11.710 -18.489 -11.798 1.00 0.00 C ATOM 563 O LYS A 411 -11.285 -18.536 -10.644 1.00 0.00 O ATOM 564 CB LYS A 411 -12.459 -16.608 -13.267 1.00 0.00 C ATOM 565 CG LYS A 411 -11.422 -15.592 -12.822 1.00 0.00 C ATOM 566 CD LYS A 411 -10.769 -14.904 -14.009 1.00 0.00 C ATOM 567 CE LYS A 411 -11.703 -13.887 -14.647 1.00 0.00 C ATOM 568 NZ LYS A 411 -11.368 -13.648 -16.078 1.00 0.00 N ATOM 0 H LYS A 411 -13.045 -15.871 -10.959 1.00 0.00 H new ATOM 0 HA LYS A 411 -13.699 -18.200 -12.524 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -12.061 -17.177 -14.107 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -13.341 -16.080 -13.629 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -11.894 -14.846 -12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -10.659 -16.089 -12.223 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -9.855 -14.407 -13.685 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -10.481 -15.650 -14.750 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -12.732 -14.239 -14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -11.645 -12.947 -14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -12.027 -12.949 -16.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -10.395 -13.288 -16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -11.448 -14.540 -16.607 1.00 0.00 H new ATOM 582 N SER A 412 -11.194 -19.208 -12.790 1.00 0.00 N ATOM 583 CA SER A 412 -10.075 -20.117 -12.573 1.00 0.00 C ATOM 584 C SER A 412 -8.904 -19.764 -13.484 1.00 0.00 C ATOM 585 O SER A 412 -9.048 -18.985 -14.425 1.00 0.00 O ATOM 586 CB SER A 412 -10.510 -21.563 -12.819 1.00 0.00 C ATOM 587 OG SER A 412 -9.736 -22.467 -12.050 1.00 0.00 O ATOM 0 H SER A 412 -11.533 -19.178 -13.752 1.00 0.00 H new ATOM 0 HA SER A 412 -9.751 -20.014 -11.537 1.00 0.00 H new ATOM 0 HB2 SER A 412 -11.564 -21.677 -12.567 1.00 0.00 H new ATOM 0 HB3 SER A 412 -10.408 -21.802 -13.878 1.00 0.00 H new ATOM 0 HG SER A 412 -10.035 -23.384 -12.224 1.00 0.00 H new ATOM 593 N GLY A 413 -7.742 -20.343 -13.196 1.00 0.00 N ATOM 594 CA GLY A 413 -6.562 -20.078 -13.997 1.00 0.00 C ATOM 595 C GLY A 413 -5.562 -21.217 -13.952 1.00 0.00 C ATOM 596 O GLY A 413 -5.750 -22.208 -13.247 1.00 0.00 O ATOM 0 H GLY A 413 -7.597 -20.991 -12.422 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -6.860 -19.901 -15.030 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -6.084 -19.165 -13.643 1.00 0.00 H new ATOM 600 N PRO A 414 -4.472 -21.083 -14.722 1.00 0.00 N ATOM 601 CA PRO A 414 -3.418 -22.101 -14.785 1.00 0.00 C ATOM 602 C PRO A 414 -2.615 -22.185 -13.492 1.00 0.00 C ATOM 603 O PRO A 414 -1.626 -21.474 -13.316 1.00 0.00 O ATOM 604 CB PRO A 414 -2.530 -21.620 -15.935 1.00 0.00 C ATOM 605 CG PRO A 414 -2.753 -20.148 -15.997 1.00 0.00 C ATOM 606 CD PRO A 414 -4.183 -19.929 -15.588 1.00 0.00 C ATOM 0 HA PRO A 414 -3.826 -23.101 -14.932 1.00 0.00 H new ATOM 0 HB2 PRO A 414 -1.482 -21.854 -15.750 1.00 0.00 H new ATOM 0 HB3 PRO A 414 -2.803 -22.102 -16.874 1.00 0.00 H new ATOM 0 HG2 PRO A 414 -2.071 -19.621 -15.329 1.00 0.00 H new ATOM 0 HG3 PRO A 414 -2.572 -19.768 -17.002 1.00 0.00 H new ATOM 0 HD2 PRO A 414 -4.309 -18.986 -15.056 1.00 0.00 H new ATOM 0 HD3 PRO A 414 -4.847 -19.899 -16.451 1.00 0.00 H new ATOM 614 N SER A 415 -3.047 -23.060 -12.589 1.00 0.00 N ATOM 615 CA SER A 415 -2.370 -23.235 -11.309 1.00 0.00 C ATOM 616 C SER A 415 -2.021 -24.701 -11.075 1.00 0.00 C ATOM 617 O SER A 415 -2.894 -25.520 -10.785 1.00 0.00 O ATOM 618 CB SER A 415 -3.249 -22.719 -10.168 1.00 0.00 C ATOM 619 OG SER A 415 -4.622 -22.939 -10.443 1.00 0.00 O ATOM 0 H SER A 415 -3.862 -23.659 -12.720 1.00 0.00 H new ATOM 0 HA SER A 415 -1.445 -22.659 -11.334 1.00 0.00 H new ATOM 0 HB2 SER A 415 -2.976 -23.220 -9.239 1.00 0.00 H new ATOM 0 HB3 SER A 415 -3.070 -21.654 -10.020 1.00 0.00 H new ATOM 0 HG SER A 415 -5.163 -22.602 -9.698 1.00 0.00 H new ATOM 625 N SER A 416 -0.739 -25.026 -11.204 1.00 0.00 N ATOM 626 CA SER A 416 -0.273 -26.394 -11.011 1.00 0.00 C ATOM 627 C SER A 416 0.969 -26.426 -10.126 1.00 0.00 C ATOM 628 O SER A 416 2.051 -26.012 -10.541 1.00 0.00 O ATOM 629 CB SER A 416 0.031 -27.047 -12.361 1.00 0.00 C ATOM 630 OG SER A 416 -0.974 -26.744 -13.312 1.00 0.00 O ATOM 0 H SER A 416 -0.004 -24.360 -11.442 1.00 0.00 H new ATOM 0 HA SER A 416 -1.065 -26.954 -10.515 1.00 0.00 H new ATOM 0 HB2 SER A 416 0.998 -26.701 -12.726 1.00 0.00 H new ATOM 0 HB3 SER A 416 0.105 -28.127 -12.237 1.00 0.00 H new ATOM 0 HG SER A 416 -0.755 -27.171 -14.166 1.00 0.00 H new ATOM 636 N GLY A 417 0.805 -26.921 -8.903 1.00 0.00 N ATOM 637 CA GLY A 417 1.920 -26.997 -7.978 1.00 0.00 C ATOM 638 C GLY A 417 1.485 -26.854 -6.533 1.00 0.00 C ATOM 639 O GLY A 417 2.003 -25.984 -5.835 1.00 0.00 O ATOM 0 H GLY A 417 -0.080 -27.271 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 417 2.431 -27.951 -8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 417 2.640 -26.214 -8.217 1.00 0.00 H new TER 643 GLY A 417 HETATM 644 ZN ZN A 201 -4.180 -3.389 -2.941 1.00 0.00 ZN