USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=16 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 Set 1.1: A 383 TYR OH : rot 165:sc= -0.0756 USER MOD Set 1.2: A 395 LYS NZ :NH3+ -125:sc= 0.491 (180deg=-0.437) 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 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0564) 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 398 MET CE :methyl -131:sc= -2.72 (180deg=-8.81!) 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 -69:sc= 0.504 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 -8.197 21.879 -5.038 1.00 0.00 N ATOM 2 CA GLY A 373 -8.161 20.443 -5.245 1.00 0.00 C ATOM 3 C GLY A 373 -7.162 20.036 -6.310 1.00 0.00 C ATOM 4 O GLY A 373 -7.135 20.610 -7.398 1.00 0.00 O ATOM 0 HA2 GLY A 373 -7.908 19.950 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -9.154 20.095 -5.530 1.00 0.00 H new ATOM 8 N SER A 374 -6.337 19.042 -5.995 1.00 0.00 N ATOM 9 CA SER A 374 -5.327 18.561 -6.931 1.00 0.00 C ATOM 10 C SER A 374 -5.388 17.043 -7.063 1.00 0.00 C ATOM 11 O SER A 374 -6.150 16.377 -6.361 1.00 0.00 O ATOM 12 CB SER A 374 -3.932 18.989 -6.472 1.00 0.00 C ATOM 13 OG SER A 374 -3.615 18.427 -5.210 1.00 0.00 O ATOM 0 H SER A 374 -6.348 18.554 -5.099 1.00 0.00 H new ATOM 0 HA SER A 374 -5.532 19.001 -7.907 1.00 0.00 H new ATOM 0 HB2 SER A 374 -3.192 18.677 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 374 -3.883 20.076 -6.412 1.00 0.00 H new ATOM 0 HG SER A 374 -2.718 18.714 -4.940 1.00 0.00 H new ATOM 19 N SER A 375 -4.580 16.501 -7.969 1.00 0.00 N ATOM 20 CA SER A 375 -4.544 15.061 -8.197 1.00 0.00 C ATOM 21 C SER A 375 -3.296 14.667 -8.982 1.00 0.00 C ATOM 22 O SER A 375 -2.730 15.475 -9.716 1.00 0.00 O ATOM 23 CB SER A 375 -5.797 14.611 -8.951 1.00 0.00 C ATOM 24 OG SER A 375 -6.240 15.614 -9.849 1.00 0.00 O ATOM 0 H SER A 375 -3.942 17.037 -8.557 1.00 0.00 H new ATOM 0 HA SER A 375 -4.515 14.565 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 375 -5.585 13.694 -9.501 1.00 0.00 H new ATOM 0 HB3 SER A 375 -6.590 14.380 -8.240 1.00 0.00 H new ATOM 0 HG SER A 375 -7.041 15.301 -10.320 1.00 0.00 H new ATOM 30 N GLY A 376 -2.874 13.416 -8.820 1.00 0.00 N ATOM 31 CA GLY A 376 -1.696 12.935 -9.518 1.00 0.00 C ATOM 32 C GLY A 376 -0.435 13.065 -8.687 1.00 0.00 C ATOM 33 O GLY A 376 -0.333 13.948 -7.835 1.00 0.00 O ATOM 0 H GLY A 376 -3.327 12.728 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 376 -1.841 11.890 -9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 376 -1.575 13.493 -10.446 1.00 0.00 H new ATOM 37 N SER A 377 0.527 12.182 -8.932 1.00 0.00 N ATOM 38 CA SER A 377 1.785 12.198 -8.196 1.00 0.00 C ATOM 39 C SER A 377 1.540 12.051 -6.697 1.00 0.00 C ATOM 40 O SER A 377 2.149 12.747 -5.885 1.00 0.00 O ATOM 41 CB SER A 377 2.547 13.495 -8.474 1.00 0.00 C ATOM 42 OG SER A 377 2.332 13.938 -9.803 1.00 0.00 O ATOM 0 H SER A 377 0.459 11.446 -9.635 1.00 0.00 H new ATOM 0 HA SER A 377 2.385 11.353 -8.533 1.00 0.00 H new ATOM 0 HB2 SER A 377 2.226 14.266 -7.774 1.00 0.00 H new ATOM 0 HB3 SER A 377 3.613 13.337 -8.308 1.00 0.00 H new ATOM 0 HG SER A 377 2.828 14.769 -9.955 1.00 0.00 H new ATOM 48 N SER A 378 0.642 11.139 -6.338 1.00 0.00 N ATOM 49 CA SER A 378 0.311 10.902 -4.938 1.00 0.00 C ATOM 50 C SER A 378 1.206 9.819 -4.344 1.00 0.00 C ATOM 51 O SER A 378 1.499 9.825 -3.149 1.00 0.00 O ATOM 52 CB SER A 378 -1.158 10.498 -4.800 1.00 0.00 C ATOM 53 OG SER A 378 -1.995 11.352 -5.561 1.00 0.00 O ATOM 0 H SER A 378 0.131 10.552 -6.997 1.00 0.00 H new ATOM 0 HA SER A 378 0.478 11.829 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 378 -1.288 9.467 -5.131 1.00 0.00 H new ATOM 0 HB3 SER A 378 -1.452 10.536 -3.751 1.00 0.00 H new ATOM 0 HG SER A 378 -2.928 11.072 -5.458 1.00 0.00 H new ATOM 59 N GLY A 379 1.637 8.887 -5.189 1.00 0.00 N ATOM 60 CA GLY A 379 2.494 7.809 -4.731 1.00 0.00 C ATOM 61 C GLY A 379 3.735 7.651 -5.588 1.00 0.00 C ATOM 62 O GLY A 379 3.727 6.912 -6.571 1.00 0.00 O ATOM 0 H GLY A 379 1.408 8.859 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 379 2.790 7.998 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 379 1.932 6.875 -4.735 1.00 0.00 H new ATOM 66 N GLU A 380 4.803 8.349 -5.214 1.00 0.00 N ATOM 67 CA GLU A 380 6.056 8.283 -5.957 1.00 0.00 C ATOM 68 C GLU A 380 7.062 7.379 -5.250 1.00 0.00 C ATOM 69 O GLU A 380 8.272 7.586 -5.343 1.00 0.00 O ATOM 70 CB GLU A 380 6.646 9.684 -6.130 1.00 0.00 C ATOM 71 CG GLU A 380 6.786 10.451 -4.825 1.00 0.00 C ATOM 72 CD GLU A 380 7.861 11.518 -4.888 1.00 0.00 C ATOM 73 OE1 GLU A 380 8.005 12.154 -5.952 1.00 0.00 O ATOM 74 OE2 GLU A 380 8.559 11.716 -3.871 1.00 0.00 O ATOM 0 H GLU A 380 4.826 8.966 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 380 5.844 7.862 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 380 7.626 9.601 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 380 6.014 10.254 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 380 5.832 10.916 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 380 7.019 9.753 -4.021 1.00 0.00 H new ATOM 81 N LYS A 381 6.552 6.376 -4.543 1.00 0.00 N ATOM 82 CA LYS A 381 7.403 5.439 -3.820 1.00 0.00 C ATOM 83 C LYS A 381 7.785 4.257 -4.705 1.00 0.00 C ATOM 84 O LYS A 381 7.141 3.973 -5.715 1.00 0.00 O ATOM 85 CB LYS A 381 6.692 4.939 -2.561 1.00 0.00 C ATOM 86 CG LYS A 381 6.918 5.819 -1.344 1.00 0.00 C ATOM 87 CD LYS A 381 6.124 5.327 -0.145 1.00 0.00 C ATOM 88 CE LYS A 381 5.868 6.447 0.851 1.00 0.00 C ATOM 89 NZ LYS A 381 4.658 6.187 1.679 1.00 0.00 N ATOM 0 H LYS A 381 5.553 6.191 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 381 8.314 5.963 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 381 5.622 4.876 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.035 3.929 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.980 5.834 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 381 6.630 6.844 -1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.173 4.914 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 381 6.667 4.519 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 381 6.736 6.560 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 381 5.746 7.388 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 4.768 6.642 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 3.820 6.575 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.539 5.162 1.808 1.00 0.00 H new ATOM 103 N PRO A 382 8.858 3.550 -4.318 1.00 0.00 N ATOM 104 CA PRO A 382 9.348 2.385 -5.062 1.00 0.00 C ATOM 105 C PRO A 382 8.403 1.193 -4.961 1.00 0.00 C ATOM 106 O PRO A 382 8.453 0.278 -5.783 1.00 0.00 O ATOM 107 CB PRO A 382 10.684 2.068 -4.385 1.00 0.00 C ATOM 108 CG PRO A 382 10.547 2.614 -3.005 1.00 0.00 C ATOM 109 CD PRO A 382 9.674 3.832 -3.126 1.00 0.00 C ATOM 0 HA PRO A 382 9.433 2.589 -6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.875 0.995 -4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 382 11.516 2.532 -4.914 1.00 0.00 H new ATOM 0 HG2 PRO A 382 10.100 1.878 -2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 382 11.521 2.872 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 382 9.055 3.973 -2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 382 10.265 4.739 -3.249 1.00 0.00 H new ATOM 117 N TYR A 383 7.543 1.210 -3.949 1.00 0.00 N ATOM 118 CA TYR A 383 6.588 0.128 -3.739 1.00 0.00 C ATOM 119 C TYR A 383 5.219 0.679 -3.350 1.00 0.00 C ATOM 120 O TYR A 383 5.087 1.407 -2.367 1.00 0.00 O ATOM 121 CB TYR A 383 7.094 -0.825 -2.655 1.00 0.00 C ATOM 122 CG TYR A 383 8.550 -1.200 -2.811 1.00 0.00 C ATOM 123 CD1 TYR A 383 8.994 -1.894 -3.930 1.00 0.00 C ATOM 124 CD2 TYR A 383 9.483 -0.859 -1.839 1.00 0.00 C ATOM 125 CE1 TYR A 383 10.323 -2.240 -4.075 1.00 0.00 C ATOM 126 CE2 TYR A 383 10.815 -1.199 -1.977 1.00 0.00 C ATOM 127 CZ TYR A 383 11.230 -1.890 -3.096 1.00 0.00 C ATOM 128 OH TYR A 383 12.556 -2.231 -3.238 1.00 0.00 O ATOM 0 H TYR A 383 7.487 1.961 -3.261 1.00 0.00 H new ATOM 0 HA TYR A 383 6.487 -0.420 -4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 383 6.949 -0.362 -1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 383 6.490 -1.732 -2.670 1.00 0.00 H new ATOM 0 HD1 TYR A 383 8.287 -2.168 -4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 383 9.161 -0.319 -0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 383 10.651 -2.782 -4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 383 11.527 -0.925 -1.213 1.00 0.00 H new ATOM 0 HH TYR A 383 13.096 -1.717 -2.602 1.00 0.00 H new ATOM 138 N SER A 384 4.203 0.324 -4.130 1.00 0.00 N ATOM 139 CA SER A 384 2.843 0.783 -3.870 1.00 0.00 C ATOM 140 C SER A 384 1.822 -0.156 -4.503 1.00 0.00 C ATOM 141 O SER A 384 2.171 -1.021 -5.308 1.00 0.00 O ATOM 142 CB SER A 384 2.650 2.202 -4.408 1.00 0.00 C ATOM 143 OG SER A 384 3.465 2.431 -5.545 1.00 0.00 O ATOM 0 H SER A 384 4.296 -0.280 -4.947 1.00 0.00 H new ATOM 0 HA SER A 384 2.687 0.786 -2.791 1.00 0.00 H new ATOM 0 HB2 SER A 384 1.603 2.356 -4.670 1.00 0.00 H new ATOM 0 HB3 SER A 384 2.894 2.926 -3.630 1.00 0.00 H new ATOM 0 HG SER A 384 3.322 3.344 -5.871 1.00 0.00 H new ATOM 149 N CYS A 385 0.557 0.019 -4.134 1.00 0.00 N ATOM 150 CA CYS A 385 -0.517 -0.812 -4.664 1.00 0.00 C ATOM 151 C CYS A 385 -1.493 0.022 -5.488 1.00 0.00 C ATOM 152 O CYS A 385 -2.609 0.320 -5.060 1.00 0.00 O ATOM 153 CB CYS A 385 -1.261 -1.509 -3.523 1.00 0.00 C ATOM 154 SG CYS A 385 -2.334 -2.879 -4.062 1.00 0.00 S ATOM 0 H CYS A 385 0.251 0.730 -3.469 1.00 0.00 H new ATOM 0 HA CYS A 385 -0.073 -1.566 -5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -0.532 -1.892 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -1.867 -0.773 -2.996 1.00 0.00 H new ATOM 159 N PRO A 386 -1.066 0.407 -6.700 1.00 0.00 N ATOM 160 CA PRO A 386 -1.887 1.211 -7.610 1.00 0.00 C ATOM 161 C PRO A 386 -3.069 0.427 -8.169 1.00 0.00 C ATOM 162 O PRO A 386 -3.966 0.997 -8.792 1.00 0.00 O ATOM 163 CB PRO A 386 -0.913 1.582 -8.732 1.00 0.00 C ATOM 164 CG PRO A 386 0.115 0.504 -8.713 1.00 0.00 C ATOM 165 CD PRO A 386 0.252 0.087 -7.274 1.00 0.00 C ATOM 0 HA PRO A 386 -2.329 2.072 -7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -1.419 1.629 -9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -0.464 2.560 -8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -0.190 -0.337 -9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 386 1.065 0.864 -9.107 1.00 0.00 H new ATOM 0 HD2 PRO A 386 0.483 -0.974 -7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 386 1.052 0.631 -6.772 1.00 0.00 H new ATOM 173 N VAL A 387 -3.067 -0.882 -7.941 1.00 0.00 N ATOM 174 CA VAL A 387 -4.141 -1.744 -8.420 1.00 0.00 C ATOM 175 C VAL A 387 -5.464 -1.398 -7.748 1.00 0.00 C ATOM 176 O VAL A 387 -6.507 -1.334 -8.400 1.00 0.00 O ATOM 177 CB VAL A 387 -3.822 -3.230 -8.169 1.00 0.00 C ATOM 178 CG1 VAL A 387 -4.967 -4.110 -8.647 1.00 0.00 C ATOM 179 CG2 VAL A 387 -2.520 -3.618 -8.852 1.00 0.00 C ATOM 0 H VAL A 387 -2.333 -1.369 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 387 -4.228 -1.575 -9.493 1.00 0.00 H new ATOM 0 HB VAL A 387 -3.702 -3.382 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -4.724 -5.156 -8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 387 -5.877 -3.848 -8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -5.122 -3.957 -9.715 1.00 0.00 H new ATOM 0 HG21 VAL A 387 -2.310 -4.671 -8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 387 -2.609 -3.452 -9.926 1.00 0.00 H new ATOM 0 HG23 VAL A 387 -1.706 -3.010 -8.457 1.00 0.00 H new ATOM 189 N CYS A 388 -5.416 -1.175 -6.438 1.00 0.00 N ATOM 190 CA CYS A 388 -6.611 -0.836 -5.675 1.00 0.00 C ATOM 191 C CYS A 388 -6.495 0.564 -5.079 1.00 0.00 C ATOM 192 O CYS A 388 -7.500 1.224 -4.818 1.00 0.00 O ATOM 193 CB CYS A 388 -6.838 -1.859 -4.561 1.00 0.00 C ATOM 194 SG CYS A 388 -5.640 -1.748 -3.193 1.00 0.00 S ATOM 0 H CYS A 388 -4.561 -1.223 -5.883 1.00 0.00 H new ATOM 0 HA CYS A 388 -7.463 -0.854 -6.354 1.00 0.00 H new ATOM 0 HB2 CYS A 388 -7.843 -1.727 -4.161 1.00 0.00 H new ATOM 0 HB3 CYS A 388 -6.794 -2.861 -4.988 1.00 0.00 H new ATOM 199 N GLY A 389 -5.261 1.011 -4.866 1.00 0.00 N ATOM 200 CA GLY A 389 -5.037 2.330 -4.303 1.00 0.00 C ATOM 201 C GLY A 389 -4.599 2.274 -2.853 1.00 0.00 C ATOM 202 O GLY A 389 -5.395 2.520 -1.946 1.00 0.00 O ATOM 0 H GLY A 389 -4.413 0.484 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 389 -4.278 2.848 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 389 -5.953 2.915 -4.380 1.00 0.00 H new ATOM 206 N LEU A 390 -3.330 1.947 -2.632 1.00 0.00 N ATOM 207 CA LEU A 390 -2.787 1.858 -1.281 1.00 0.00 C ATOM 208 C LEU A 390 -1.266 1.759 -1.311 1.00 0.00 C ATOM 209 O LEU A 390 -0.706 0.786 -1.815 1.00 0.00 O ATOM 210 CB LEU A 390 -3.374 0.646 -0.553 1.00 0.00 C ATOM 211 CG LEU A 390 -3.288 0.673 0.973 1.00 0.00 C ATOM 212 CD1 LEU A 390 -4.528 1.324 1.566 1.00 0.00 C ATOM 213 CD2 LEU A 390 -3.108 -0.734 1.522 1.00 0.00 C ATOM 0 H LEU A 390 -2.658 1.739 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 390 -3.063 2.766 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.422 0.550 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -2.864 -0.249 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 390 -2.419 1.266 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -4.449 1.334 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -4.613 2.347 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -5.412 0.758 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -3.049 -0.695 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -3.956 -1.351 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -2.190 -1.165 1.124 1.00 0.00 H new ATOM 225 N ARG A 391 -0.601 2.773 -0.765 1.00 0.00 N ATOM 226 CA ARG A 391 0.856 2.800 -0.729 1.00 0.00 C ATOM 227 C ARG A 391 1.393 1.793 0.284 1.00 0.00 C ATOM 228 O ARG A 391 0.650 1.283 1.123 1.00 0.00 O ATOM 229 CB ARG A 391 1.352 4.205 -0.380 1.00 0.00 C ATOM 230 CG ARG A 391 1.327 5.169 -1.554 1.00 0.00 C ATOM 231 CD ARG A 391 1.783 6.560 -1.143 1.00 0.00 C ATOM 232 NE ARG A 391 0.860 7.181 -0.197 1.00 0.00 N ATOM 233 CZ ARG A 391 0.962 8.442 0.209 1.00 0.00 C ATOM 234 NH1 ARG A 391 1.940 9.212 -0.247 1.00 0.00 N ATOM 235 NH2 ARG A 391 0.083 8.935 1.072 1.00 0.00 N ATOM 0 H ARG A 391 -1.049 3.586 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 391 1.225 2.527 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 391 0.737 4.609 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 391 2.371 4.137 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 391 1.972 4.793 -2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 391 0.317 5.222 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 391 2.775 6.499 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 391 1.872 7.189 -2.029 1.00 0.00 H new ATOM 0 HE ARG A 391 0.095 6.616 0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 391 2.617 8.837 -0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 391 2.016 10.180 0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -0.672 8.346 1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 391 0.162 9.903 1.383 1.00 0.00 H new ATOM 249 N PHE A 392 2.689 1.510 0.199 1.00 0.00 N ATOM 250 CA PHE A 392 3.326 0.563 1.106 1.00 0.00 C ATOM 251 C PHE A 392 4.779 0.949 1.363 1.00 0.00 C ATOM 252 O PHE A 392 5.422 1.585 0.528 1.00 0.00 O ATOM 253 CB PHE A 392 3.257 -0.853 0.530 1.00 0.00 C ATOM 254 CG PHE A 392 1.944 -1.538 0.778 1.00 0.00 C ATOM 255 CD1 PHE A 392 0.881 -1.367 -0.095 1.00 0.00 C ATOM 256 CD2 PHE A 392 1.771 -2.353 1.886 1.00 0.00 C ATOM 257 CE1 PHE A 392 -0.328 -1.996 0.131 1.00 0.00 C ATOM 258 CE2 PHE A 392 0.564 -2.985 2.116 1.00 0.00 C ATOM 259 CZ PHE A 392 -0.488 -2.806 1.238 1.00 0.00 C ATOM 0 H PHE A 392 3.318 1.923 -0.489 1.00 0.00 H new ATOM 0 HA PHE A 392 2.789 0.589 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 392 3.437 -0.809 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 392 4.058 -1.452 0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 392 0.999 -0.734 -0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 392 2.589 -2.496 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 392 -1.148 -1.854 -0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 392 0.443 -3.619 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 392 -1.433 -3.298 1.417 1.00 0.00 H new ATOM 269 N LYS A 393 5.291 0.562 2.526 1.00 0.00 N ATOM 270 CA LYS A 393 6.669 0.865 2.896 1.00 0.00 C ATOM 271 C LYS A 393 7.546 -0.378 2.794 1.00 0.00 C ATOM 272 O LYS A 393 8.732 -0.288 2.476 1.00 0.00 O ATOM 273 CB LYS A 393 6.725 1.426 4.319 1.00 0.00 C ATOM 274 CG LYS A 393 6.338 2.893 4.410 1.00 0.00 C ATOM 275 CD LYS A 393 7.414 3.790 3.821 1.00 0.00 C ATOM 276 CE LYS A 393 8.592 3.945 4.771 1.00 0.00 C ATOM 277 NZ LYS A 393 9.379 5.176 4.483 1.00 0.00 N ATOM 0 H LYS A 393 4.772 0.037 3.230 1.00 0.00 H new ATOM 0 HA LYS A 393 7.049 1.614 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 393 6.060 0.843 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 393 7.734 1.300 4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 393 5.398 3.056 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 393 6.169 3.162 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 393 7.760 3.372 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 393 6.992 4.770 3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 393 8.228 3.979 5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 393 9.240 3.072 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 393 10.172 5.245 5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 393 9.748 5.133 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 393 8.767 6.011 4.584 1.00 0.00 H new ATOM 291 N ARG A 394 6.955 -1.538 3.064 1.00 0.00 N ATOM 292 CA ARG A 394 7.684 -2.799 3.001 1.00 0.00 C ATOM 293 C ARG A 394 7.524 -3.453 1.632 1.00 0.00 C ATOM 294 O ARG A 394 6.476 -3.337 0.996 1.00 0.00 O ATOM 295 CB ARG A 394 7.192 -3.751 4.094 1.00 0.00 C ATOM 296 CG ARG A 394 7.780 -3.460 5.465 1.00 0.00 C ATOM 297 CD ARG A 394 6.942 -2.445 6.226 1.00 0.00 C ATOM 298 NE ARG A 394 7.678 -1.855 7.342 1.00 0.00 N ATOM 299 CZ ARG A 394 7.116 -1.084 8.267 1.00 0.00 C ATOM 300 NH1 ARG A 394 5.819 -0.813 8.210 1.00 0.00 N ATOM 301 NH2 ARG A 394 7.852 -0.584 9.251 1.00 0.00 N ATOM 0 H ARG A 394 5.974 -1.630 3.328 1.00 0.00 H new ATOM 0 HA ARG A 394 8.741 -2.587 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 394 6.105 -3.691 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 394 7.440 -4.774 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 394 7.843 -4.385 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 394 8.797 -3.084 5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 394 6.622 -1.656 5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 394 6.040 -2.928 6.601 1.00 0.00 H new ATOM 0 HE ARG A 394 8.677 -2.045 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 394 5.251 -1.197 7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 394 5.390 -0.221 8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 394 8.850 -0.791 9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 394 7.420 0.008 9.961 1.00 0.00 H new ATOM 315 N LYS A 395 8.569 -4.139 1.184 1.00 0.00 N ATOM 316 CA LYS A 395 8.546 -4.812 -0.110 1.00 0.00 C ATOM 317 C LYS A 395 8.010 -6.233 0.027 1.00 0.00 C ATOM 318 O LYS A 395 7.369 -6.756 -0.886 1.00 0.00 O ATOM 319 CB LYS A 395 9.950 -4.841 -0.718 1.00 0.00 C ATOM 320 CG LYS A 395 10.004 -5.490 -2.090 1.00 0.00 C ATOM 321 CD LYS A 395 11.341 -6.171 -2.332 1.00 0.00 C ATOM 322 CE LYS A 395 12.402 -5.175 -2.775 1.00 0.00 C ATOM 323 NZ LYS A 395 13.024 -4.475 -1.617 1.00 0.00 N ATOM 0 H LYS A 395 9.444 -4.244 1.698 1.00 0.00 H new ATOM 0 HA LYS A 395 7.883 -4.254 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 395 10.326 -3.821 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 395 10.618 -5.378 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.201 -6.221 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 395 9.835 -4.735 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 395 11.667 -6.670 -1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 395 11.225 -6.943 -3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 395 13.174 -5.695 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 395 11.954 -4.441 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 12.938 -3.447 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 12.539 -4.756 -0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 14.029 -4.733 -1.554 1.00 0.00 H new ATOM 337 N ASP A 396 8.274 -6.853 1.171 1.00 0.00 N ATOM 338 CA ASP A 396 7.816 -8.214 1.428 1.00 0.00 C ATOM 339 C ASP A 396 6.323 -8.235 1.740 1.00 0.00 C ATOM 340 O ASP A 396 5.645 -9.237 1.511 1.00 0.00 O ATOM 341 CB ASP A 396 8.601 -8.829 2.587 1.00 0.00 C ATOM 342 CG ASP A 396 8.600 -10.345 2.548 1.00 0.00 C ATOM 343 OD1 ASP A 396 9.285 -10.916 1.673 1.00 0.00 O ATOM 344 OD2 ASP A 396 7.915 -10.959 3.391 1.00 0.00 O ATOM 0 H ASP A 396 8.803 -6.435 1.936 1.00 0.00 H new ATOM 0 HA ASP A 396 7.989 -8.805 0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 396 9.629 -8.468 2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 396 8.173 -8.493 3.531 1.00 0.00 H new ATOM 349 N ARG A 397 5.818 -7.123 2.265 1.00 0.00 N ATOM 350 CA ARG A 397 4.406 -7.015 2.611 1.00 0.00 C ATOM 351 C ARG A 397 3.571 -6.661 1.383 1.00 0.00 C ATOM 352 O ARG A 397 2.582 -7.327 1.080 1.00 0.00 O ATOM 353 CB ARG A 397 4.205 -5.959 3.699 1.00 0.00 C ATOM 354 CG ARG A 397 4.404 -6.492 5.109 1.00 0.00 C ATOM 355 CD ARG A 397 5.877 -6.542 5.483 1.00 0.00 C ATOM 356 NE ARG A 397 6.133 -7.479 6.574 1.00 0.00 N ATOM 357 CZ ARG A 397 6.158 -8.798 6.419 1.00 0.00 C ATOM 358 NH1 ARG A 397 5.944 -9.333 5.224 1.00 0.00 N ATOM 359 NH2 ARG A 397 6.398 -9.585 7.460 1.00 0.00 N ATOM 0 H ARG A 397 6.366 -6.285 2.460 1.00 0.00 H new ATOM 0 HA ARG A 397 4.075 -7.983 2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 397 4.900 -5.137 3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 397 3.199 -5.548 3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 397 3.869 -5.859 5.817 1.00 0.00 H new ATOM 0 HG3 ARG A 397 3.974 -7.491 5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 397 6.463 -6.832 4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 397 6.211 -5.546 5.774 1.00 0.00 H new ATOM 0 HE ARG A 397 6.302 -7.100 7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 397 5.760 -8.731 4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 397 5.964 -10.346 5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 397 6.563 -9.177 8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 397 6.417 -10.598 7.340 1.00 0.00 H new ATOM 373 N MET A 398 3.977 -5.607 0.683 1.00 0.00 N ATOM 374 CA MET A 398 3.266 -5.165 -0.512 1.00 0.00 C ATOM 375 C MET A 398 3.150 -6.298 -1.526 1.00 0.00 C ATOM 376 O MET A 398 2.204 -6.346 -2.312 1.00 0.00 O ATOM 377 CB MET A 398 3.982 -3.970 -1.144 1.00 0.00 C ATOM 378 CG MET A 398 5.410 -4.273 -1.570 1.00 0.00 C ATOM 379 SD MET A 398 5.521 -4.823 -3.283 1.00 0.00 S ATOM 380 CE MET A 398 7.265 -4.569 -3.607 1.00 0.00 C ATOM 0 H MET A 398 4.793 -5.044 0.922 1.00 0.00 H new ATOM 0 HA MET A 398 2.262 -4.863 -0.216 1.00 0.00 H new ATOM 0 HB2 MET A 398 3.415 -3.635 -2.013 1.00 0.00 H new ATOM 0 HB3 MET A 398 3.991 -3.144 -0.432 1.00 0.00 H new ATOM 0 HG2 MET A 398 6.021 -3.380 -1.439 1.00 0.00 H new ATOM 0 HG3 MET A 398 5.824 -5.042 -0.918 1.00 0.00 H new ATOM 0 HE1 MET A 398 7.386 -4.024 -4.543 1.00 0.00 H new ATOM 0 HE2 MET A 398 7.706 -3.994 -2.793 1.00 0.00 H new ATOM 0 HE3 MET A 398 7.765 -5.534 -3.683 1.00 0.00 H new ATOM 390 N SER A 399 4.119 -7.208 -1.503 1.00 0.00 N ATOM 391 CA SER A 399 4.127 -8.339 -2.424 1.00 0.00 C ATOM 392 C SER A 399 3.024 -9.333 -2.074 1.00 0.00 C ATOM 393 O SER A 399 2.548 -10.077 -2.932 1.00 0.00 O ATOM 394 CB SER A 399 5.487 -9.038 -2.394 1.00 0.00 C ATOM 395 OG SER A 399 5.477 -10.208 -3.194 1.00 0.00 O ATOM 0 H SER A 399 4.908 -7.184 -0.857 1.00 0.00 H new ATOM 0 HA SER A 399 3.944 -7.959 -3.429 1.00 0.00 H new ATOM 0 HB2 SER A 399 6.258 -8.356 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 399 5.743 -9.298 -1.367 1.00 0.00 H new ATOM 0 HG SER A 399 6.358 -10.636 -3.159 1.00 0.00 H new ATOM 401 N TYR A 400 2.622 -9.339 -0.808 1.00 0.00 N ATOM 402 CA TYR A 400 1.577 -10.243 -0.342 1.00 0.00 C ATOM 403 C TYR A 400 0.197 -9.616 -0.517 1.00 0.00 C ATOM 404 O TYR A 400 -0.806 -10.320 -0.641 1.00 0.00 O ATOM 405 CB TYR A 400 1.803 -10.603 1.128 1.00 0.00 C ATOM 406 CG TYR A 400 0.740 -11.514 1.698 1.00 0.00 C ATOM 407 CD1 TYR A 400 0.708 -12.865 1.374 1.00 0.00 C ATOM 408 CD2 TYR A 400 -0.234 -11.024 2.560 1.00 0.00 C ATOM 409 CE1 TYR A 400 -0.262 -13.701 1.892 1.00 0.00 C ATOM 410 CE2 TYR A 400 -1.206 -11.854 3.084 1.00 0.00 C ATOM 411 CZ TYR A 400 -1.216 -13.191 2.747 1.00 0.00 C ATOM 412 OH TYR A 400 -2.184 -14.020 3.266 1.00 0.00 O ATOM 0 H TYR A 400 3.004 -8.728 -0.086 1.00 0.00 H new ATOM 0 HA TYR A 400 1.623 -11.151 -0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 400 2.775 -11.085 1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 400 1.838 -9.686 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 400 1.454 -13.268 0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 400 -0.231 -9.977 2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 400 -0.273 -14.748 1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 400 -1.954 -11.458 3.754 1.00 0.00 H new ATOM 0 HH TYR A 400 -2.777 -13.504 3.851 1.00 0.00 H new ATOM 422 N HIS A 401 0.155 -8.287 -0.527 1.00 0.00 N ATOM 423 CA HIS A 401 -1.102 -7.564 -0.689 1.00 0.00 C ATOM 424 C HIS A 401 -1.404 -7.324 -2.165 1.00 0.00 C ATOM 425 O HIS A 401 -2.462 -7.710 -2.663 1.00 0.00 O ATOM 426 CB HIS A 401 -1.045 -6.230 0.056 1.00 0.00 C ATOM 427 CG HIS A 401 -2.233 -5.352 -0.197 1.00 0.00 C ATOM 428 ND1 HIS A 401 -3.477 -5.596 0.345 1.00 0.00 N ATOM 429 CD2 HIS A 401 -2.360 -4.227 -0.938 1.00 0.00 C ATOM 430 CE1 HIS A 401 -4.319 -4.659 -0.052 1.00 0.00 C ATOM 431 NE2 HIS A 401 -3.666 -3.815 -0.832 1.00 0.00 N ATOM 0 H HIS A 401 0.976 -7.690 -0.425 1.00 0.00 H new ATOM 0 HA HIS A 401 -1.901 -8.174 -0.268 1.00 0.00 H new ATOM 0 HB2 HIS A 401 -0.968 -6.424 1.126 1.00 0.00 H new ATOM 0 HB3 HIS A 401 -0.141 -5.697 -0.238 1.00 0.00 H new ATOM 0 HD1 HIS A 401 -3.711 -6.378 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 401 -1.580 -3.743 -1.507 1.00 0.00 H new ATOM 0 HE1 HIS A 401 -5.363 -4.594 0.215 1.00 0.00 H new ATOM 439 N VAL A 402 -0.469 -6.684 -2.860 1.00 0.00 N ATOM 440 CA VAL A 402 -0.636 -6.393 -4.279 1.00 0.00 C ATOM 441 C VAL A 402 -0.957 -7.659 -5.065 1.00 0.00 C ATOM 442 O VAL A 402 -1.985 -7.740 -5.738 1.00 0.00 O ATOM 443 CB VAL A 402 0.628 -5.741 -4.870 1.00 0.00 C ATOM 444 CG1 VAL A 402 0.445 -5.474 -6.356 1.00 0.00 C ATOM 445 CG2 VAL A 402 0.961 -4.456 -4.126 1.00 0.00 C ATOM 0 H VAL A 402 0.412 -6.357 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.469 -5.695 -4.364 1.00 0.00 H new ATOM 0 HB VAL A 402 1.463 -6.431 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.348 -5.013 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 402 0.257 -6.414 -6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -0.401 -4.803 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.857 -4.008 -4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 402 0.128 -3.758 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.137 -4.680 -3.074 1.00 0.00 H new ATOM 455 N ARG A 403 -0.071 -8.645 -4.976 1.00 0.00 N ATOM 456 CA ARG A 403 -0.259 -9.908 -5.680 1.00 0.00 C ATOM 457 C ARG A 403 -1.627 -10.507 -5.366 1.00 0.00 C ATOM 458 O ARG A 403 -2.243 -11.150 -6.215 1.00 0.00 O ATOM 459 CB ARG A 403 0.843 -10.898 -5.299 1.00 0.00 C ATOM 460 CG ARG A 403 2.224 -10.489 -5.784 1.00 0.00 C ATOM 461 CD ARG A 403 2.477 -10.961 -7.207 1.00 0.00 C ATOM 462 NE ARG A 403 3.887 -10.859 -7.576 1.00 0.00 N ATOM 463 CZ ARG A 403 4.463 -9.729 -7.971 1.00 0.00 C ATOM 464 NH1 ARG A 403 3.754 -8.611 -8.048 1.00 0.00 N ATOM 465 NH2 ARG A 403 5.751 -9.716 -8.289 1.00 0.00 N ATOM 0 H ARG A 403 0.785 -8.594 -4.423 1.00 0.00 H new ATOM 0 HA ARG A 403 -0.205 -9.710 -6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 403 0.865 -11.004 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 403 0.598 -11.877 -5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 403 2.321 -9.404 -5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 403 2.982 -10.906 -5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 403 2.150 -11.996 -7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 403 1.878 -10.367 -7.898 1.00 0.00 H new ATOM 0 HE ARG A 403 4.460 -11.701 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 403 2.764 -8.617 -7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 403 4.199 -7.745 -8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 403 6.299 -10.574 -8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 403 6.193 -8.848 -8.592 1.00 0.00 H new ATOM 479 N SER A 404 -2.094 -10.291 -4.140 1.00 0.00 N ATOM 480 CA SER A 404 -3.387 -10.813 -3.713 1.00 0.00 C ATOM 481 C SER A 404 -4.483 -10.425 -4.700 1.00 0.00 C ATOM 482 O SER A 404 -5.466 -11.148 -4.870 1.00 0.00 O ATOM 483 CB SER A 404 -3.734 -10.292 -2.317 1.00 0.00 C ATOM 484 OG SER A 404 -4.678 -11.135 -1.678 1.00 0.00 O ATOM 0 H SER A 404 -1.597 -9.759 -3.426 1.00 0.00 H new ATOM 0 HA SER A 404 -3.320 -11.900 -3.682 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.829 -10.231 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 404 -4.136 -9.282 -2.392 1.00 0.00 H new ATOM 0 HG SER A 404 -4.882 -10.781 -0.787 1.00 0.00 H new ATOM 490 N HIS A 405 -4.308 -9.278 -5.348 1.00 0.00 N ATOM 491 CA HIS A 405 -5.282 -8.792 -6.320 1.00 0.00 C ATOM 492 C HIS A 405 -5.260 -9.645 -7.584 1.00 0.00 C ATOM 493 O HIS A 405 -6.307 -9.962 -8.149 1.00 0.00 O ATOM 494 CB HIS A 405 -4.998 -7.331 -6.671 1.00 0.00 C ATOM 495 CG HIS A 405 -5.165 -6.394 -5.515 1.00 0.00 C ATOM 496 ND1 HIS A 405 -6.351 -6.252 -4.827 1.00 0.00 N ATOM 497 CD2 HIS A 405 -4.287 -5.548 -4.927 1.00 0.00 C ATOM 498 CE1 HIS A 405 -6.196 -5.359 -3.865 1.00 0.00 C ATOM 499 NE2 HIS A 405 -4.952 -4.917 -3.905 1.00 0.00 N ATOM 0 H HIS A 405 -3.501 -8.668 -5.218 1.00 0.00 H new ATOM 0 HA HIS A 405 -6.273 -8.864 -5.872 1.00 0.00 H new ATOM 0 HB2 HIS A 405 -3.980 -7.249 -7.051 1.00 0.00 H new ATOM 0 HB3 HIS A 405 -5.665 -7.023 -7.477 1.00 0.00 H new ATOM 0 HD1 HIS A 405 -7.214 -6.757 -5.029 1.00 0.00 H new ATOM 0 HD2 HIS A 405 -3.255 -5.397 -5.209 1.00 0.00 H new ATOM 0 HE1 HIS A 405 -6.957 -5.044 -3.166 1.00 0.00 H new ATOM 507 N ASP A 406 -4.061 -10.014 -8.022 1.00 0.00 N ATOM 508 CA ASP A 406 -3.903 -10.831 -9.220 1.00 0.00 C ATOM 509 C ASP A 406 -4.366 -12.262 -8.966 1.00 0.00 C ATOM 510 O ASP A 406 -3.618 -13.083 -8.437 1.00 0.00 O ATOM 511 CB ASP A 406 -2.443 -10.828 -9.676 1.00 0.00 C ATOM 512 CG ASP A 406 -2.271 -11.398 -11.070 1.00 0.00 C ATOM 513 OD1 ASP A 406 -2.080 -12.626 -11.189 1.00 0.00 O ATOM 514 OD2 ASP A 406 -2.326 -10.616 -12.042 1.00 0.00 O ATOM 0 H ASP A 406 -3.185 -9.760 -7.566 1.00 0.00 H new ATOM 0 HA ASP A 406 -4.523 -10.402 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -2.061 -9.807 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -1.845 -11.408 -8.973 1.00 0.00 H new ATOM 519 N GLY A 407 -5.606 -12.554 -9.347 1.00 0.00 N ATOM 520 CA GLY A 407 -6.149 -13.885 -9.151 1.00 0.00 C ATOM 521 C GLY A 407 -7.652 -13.877 -8.957 1.00 0.00 C ATOM 522 O GLY A 407 -8.336 -14.837 -9.310 1.00 0.00 O ATOM 0 H GLY A 407 -6.244 -11.892 -9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 407 -5.901 -14.505 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 407 -5.676 -14.342 -8.282 1.00 0.00 H new ATOM 526 N SER A 408 -8.168 -12.789 -8.392 1.00 0.00 N ATOM 527 CA SER A 408 -9.600 -12.662 -8.146 1.00 0.00 C ATOM 528 C SER A 408 -10.342 -12.305 -9.430 1.00 0.00 C ATOM 529 O SER A 408 -11.521 -12.620 -9.587 1.00 0.00 O ATOM 530 CB SER A 408 -9.862 -11.597 -7.079 1.00 0.00 C ATOM 531 OG SER A 408 -11.219 -11.608 -6.671 1.00 0.00 O ATOM 0 H SER A 408 -7.616 -11.984 -8.096 1.00 0.00 H new ATOM 0 HA SER A 408 -9.970 -13.623 -7.789 1.00 0.00 H new ATOM 0 HB2 SER A 408 -9.218 -11.775 -6.217 1.00 0.00 H new ATOM 0 HB3 SER A 408 -9.605 -10.613 -7.472 1.00 0.00 H new ATOM 0 HG SER A 408 -11.361 -10.920 -5.988 1.00 0.00 H new ATOM 537 N VAL A 409 -9.641 -11.646 -10.348 1.00 0.00 N ATOM 538 CA VAL A 409 -10.232 -11.247 -11.620 1.00 0.00 C ATOM 539 C VAL A 409 -11.446 -10.350 -11.404 1.00 0.00 C ATOM 540 O VAL A 409 -12.581 -10.755 -11.649 1.00 0.00 O ATOM 541 CB VAL A 409 -10.654 -12.472 -12.452 1.00 0.00 C ATOM 542 CG1 VAL A 409 -11.131 -12.043 -13.830 1.00 0.00 C ATOM 543 CG2 VAL A 409 -9.505 -13.463 -12.561 1.00 0.00 C ATOM 0 H VAL A 409 -8.664 -11.377 -10.234 1.00 0.00 H new ATOM 0 HA VAL A 409 -9.467 -10.694 -12.165 1.00 0.00 H new ATOM 0 HB VAL A 409 -11.483 -12.966 -11.945 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -11.425 -12.922 -14.403 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -11.986 -11.374 -13.727 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -10.325 -11.524 -14.349 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -9.821 -14.323 -13.152 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -8.655 -12.982 -13.045 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -9.215 -13.795 -11.564 1.00 0.00 H new ATOM 553 N GLY A 410 -11.197 -9.127 -10.945 1.00 0.00 N ATOM 554 CA GLY A 410 -12.279 -8.190 -10.705 1.00 0.00 C ATOM 555 C GLY A 410 -11.872 -6.754 -10.965 1.00 0.00 C ATOM 556 O GLY A 410 -12.247 -5.849 -10.219 1.00 0.00 O ATOM 0 H GLY A 410 -10.265 -8.769 -10.735 1.00 0.00 H new ATOM 0 HA2 GLY A 410 -13.125 -8.446 -11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 410 -12.617 -8.287 -9.673 1.00 0.00 H new ATOM 560 N LYS A 411 -11.099 -6.542 -12.025 1.00 0.00 N ATOM 561 CA LYS A 411 -10.639 -5.206 -12.383 1.00 0.00 C ATOM 562 C LYS A 411 -10.683 -5.001 -13.894 1.00 0.00 C ATOM 563 O LYS A 411 -10.630 -5.961 -14.661 1.00 0.00 O ATOM 564 CB LYS A 411 -9.215 -4.980 -11.868 1.00 0.00 C ATOM 565 CG LYS A 411 -8.176 -5.850 -12.553 1.00 0.00 C ATOM 566 CD LYS A 411 -6.981 -6.106 -11.650 1.00 0.00 C ATOM 567 CE LYS A 411 -5.756 -6.523 -12.451 1.00 0.00 C ATOM 568 NZ LYS A 411 -4.596 -6.830 -11.570 1.00 0.00 N ATOM 0 H LYS A 411 -10.778 -7.280 -12.652 1.00 0.00 H new ATOM 0 HA LYS A 411 -11.307 -4.482 -11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -8.949 -3.932 -12.008 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -9.190 -5.175 -10.796 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -8.627 -6.800 -12.839 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -7.843 -5.366 -13.471 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -6.755 -5.205 -11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -7.228 -6.885 -10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -5.997 -7.399 -13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -5.486 -5.725 -13.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -3.782 -7.110 -12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -4.350 -5.987 -11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -4.845 -7.608 -10.927 1.00 0.00 H new ATOM 582 N SER A 412 -10.779 -3.743 -14.313 1.00 0.00 N ATOM 583 CA SER A 412 -10.833 -3.413 -15.732 1.00 0.00 C ATOM 584 C SER A 412 -9.442 -3.086 -16.267 1.00 0.00 C ATOM 585 O SER A 412 -9.115 -1.926 -16.511 1.00 0.00 O ATOM 586 CB SER A 412 -11.773 -2.229 -15.967 1.00 0.00 C ATOM 587 OG SER A 412 -11.651 -1.735 -17.290 1.00 0.00 O ATOM 0 H SER A 412 -10.821 -2.936 -13.690 1.00 0.00 H new ATOM 0 HA SER A 412 -11.215 -4.282 -16.267 1.00 0.00 H new ATOM 0 HB2 SER A 412 -12.803 -2.536 -15.784 1.00 0.00 H new ATOM 0 HB3 SER A 412 -11.546 -1.434 -15.256 1.00 0.00 H new ATOM 0 HG SER A 412 -10.777 -1.306 -17.400 1.00 0.00 H new ATOM 593 N GLY A 413 -8.625 -4.120 -16.446 1.00 0.00 N ATOM 594 CA GLY A 413 -7.279 -3.924 -16.950 1.00 0.00 C ATOM 595 C GLY A 413 -6.415 -5.160 -16.794 1.00 0.00 C ATOM 596 O GLY A 413 -5.479 -5.192 -15.996 1.00 0.00 O ATOM 0 H GLY A 413 -8.872 -5.090 -16.251 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.326 -3.648 -18.003 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -6.815 -3.091 -16.422 1.00 0.00 H new ATOM 600 N PRO A 414 -6.730 -6.208 -17.570 1.00 0.00 N ATOM 601 CA PRO A 414 -5.989 -7.472 -17.532 1.00 0.00 C ATOM 602 C PRO A 414 -4.585 -7.339 -18.113 1.00 0.00 C ATOM 603 O PRO A 414 -4.407 -7.318 -19.331 1.00 0.00 O ATOM 604 CB PRO A 414 -6.838 -8.408 -18.395 1.00 0.00 C ATOM 605 CG PRO A 414 -7.579 -7.503 -19.318 1.00 0.00 C ATOM 606 CD PRO A 414 -7.834 -6.240 -18.544 1.00 0.00 C ATOM 0 HA PRO A 414 -5.842 -7.827 -16.512 1.00 0.00 H new ATOM 0 HB2 PRO A 414 -6.215 -9.112 -18.946 1.00 0.00 H new ATOM 0 HB3 PRO A 414 -7.522 -8.998 -17.785 1.00 0.00 H new ATOM 0 HG2 PRO A 414 -6.996 -7.299 -20.216 1.00 0.00 H new ATOM 0 HG3 PRO A 414 -8.515 -7.958 -19.642 1.00 0.00 H new ATOM 0 HD2 PRO A 414 -7.824 -5.363 -19.191 1.00 0.00 H new ATOM 0 HD3 PRO A 414 -8.805 -6.261 -18.050 1.00 0.00 H new ATOM 614 N SER A 415 -3.592 -7.249 -17.234 1.00 0.00 N ATOM 615 CA SER A 415 -2.204 -7.114 -17.661 1.00 0.00 C ATOM 616 C SER A 415 -1.460 -8.438 -17.514 1.00 0.00 C ATOM 617 O SER A 415 -0.574 -8.574 -16.671 1.00 0.00 O ATOM 618 CB SER A 415 -1.501 -6.028 -16.845 1.00 0.00 C ATOM 619 OG SER A 415 -0.301 -5.612 -17.476 1.00 0.00 O ATOM 0 H SER A 415 -3.723 -7.267 -16.223 1.00 0.00 H new ATOM 0 HA SER A 415 -2.199 -6.829 -18.713 1.00 0.00 H new ATOM 0 HB2 SER A 415 -2.166 -5.173 -16.722 1.00 0.00 H new ATOM 0 HB3 SER A 415 -1.279 -6.405 -15.847 1.00 0.00 H new ATOM 0 HG SER A 415 0.129 -4.916 -16.936 1.00 0.00 H new ATOM 625 N SER A 416 -1.826 -9.411 -18.342 1.00 0.00 N ATOM 626 CA SER A 416 -1.197 -10.726 -18.303 1.00 0.00 C ATOM 627 C SER A 416 0.010 -10.778 -19.234 1.00 0.00 C ATOM 628 O SER A 416 1.098 -11.193 -18.836 1.00 0.00 O ATOM 629 CB SER A 416 -2.205 -11.809 -18.695 1.00 0.00 C ATOM 630 OG SER A 416 -1.857 -13.059 -18.126 1.00 0.00 O ATOM 0 H SER A 416 -2.555 -9.313 -19.048 1.00 0.00 H new ATOM 0 HA SER A 416 -0.856 -10.909 -17.284 1.00 0.00 H new ATOM 0 HB2 SER A 416 -3.202 -11.520 -18.363 1.00 0.00 H new ATOM 0 HB3 SER A 416 -2.244 -11.898 -19.781 1.00 0.00 H new ATOM 0 HG SER A 416 -2.517 -13.734 -18.390 1.00 0.00 H new ATOM 636 N GLY A 417 -0.190 -10.353 -20.478 1.00 0.00 N ATOM 637 CA GLY A 417 0.890 -10.359 -21.447 1.00 0.00 C ATOM 638 C GLY A 417 0.450 -9.859 -22.809 1.00 0.00 C ATOM 639 O GLY A 417 0.693 -10.540 -23.804 1.00 0.00 O ATOM 0 H GLY A 417 -1.081 -10.005 -20.832 1.00 0.00 H new ATOM 0 HA2 GLY A 417 1.706 -9.736 -21.081 1.00 0.00 H new ATOM 0 HA3 GLY A 417 1.281 -11.372 -21.544 1.00 0.00 H new TER 643 GLY A 417 HETATM 644 ZN ZN A 201 -4.182 -3.328 -2.815 1.00 0.00 ZN