USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 371 HIS HE2 : A 371 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 375 HIS HE2 : A 375 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD Single : A 340 SER OG : rot 180:sc=-0.00657 USER MOD Single : A 341 SER OG : rot 180:sc= 0 USER MOD Single : A 343 SER OG : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot 96:sc= 0.416 USER MOD Single : A 346 THR OG1 : rot 180:sc= 0 USER MOD Single : A 349 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.133) USER MOD Single : A 354 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= -0.121 USER MOD Single : A 365 SER OG : rot 180:sc= -0.265 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 374 SER OG : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 379 LYS NZ :NH3+ -129:sc= -0.563 (180deg=-2.62!) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= -0.0287 USER MOD Single : A 385 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 339 26.807 -4.898 -2.727 1.00 0.00 N ATOM 2 CA GLY A 339 26.523 -3.580 -2.191 1.00 0.00 C ATOM 3 C GLY A 339 27.391 -3.241 -0.995 1.00 0.00 C ATOM 4 O GLY A 339 28.524 -3.709 -0.890 1.00 0.00 O ATOM 0 HA2 GLY A 339 26.676 -2.834 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 339 25.474 -3.527 -1.901 1.00 0.00 H new ATOM 8 N SER A 340 26.859 -2.423 -0.093 1.00 0.00 N ATOM 9 CA SER A 340 27.595 -2.016 1.099 1.00 0.00 C ATOM 10 C SER A 340 27.032 -2.696 2.343 1.00 0.00 C ATOM 11 O SER A 340 25.875 -3.116 2.365 1.00 0.00 O ATOM 12 CB SER A 340 27.540 -0.497 1.264 1.00 0.00 C ATOM 13 OG SER A 340 28.278 -0.080 2.400 1.00 0.00 O ATOM 0 H SER A 340 25.921 -2.029 -0.164 1.00 0.00 H new ATOM 0 HA SER A 340 28.634 -2.323 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 340 27.939 -0.016 0.371 1.00 0.00 H new ATOM 0 HB3 SER A 340 26.503 -0.176 1.362 1.00 0.00 H new ATOM 0 HG SER A 340 28.229 0.895 2.482 1.00 0.00 H new ATOM 19 N SER A 341 27.859 -2.799 3.379 1.00 0.00 N ATOM 20 CA SER A 341 27.446 -3.430 4.627 1.00 0.00 C ATOM 21 C SER A 341 27.313 -2.396 5.741 1.00 0.00 C ATOM 22 O SER A 341 26.304 -2.350 6.444 1.00 0.00 O ATOM 23 CB SER A 341 28.451 -4.508 5.035 1.00 0.00 C ATOM 24 OG SER A 341 27.864 -5.442 5.925 1.00 0.00 O ATOM 0 H SER A 341 28.819 -2.454 3.379 1.00 0.00 H new ATOM 0 HA SER A 341 26.472 -3.893 4.466 1.00 0.00 H new ATOM 0 HB2 SER A 341 28.814 -5.026 4.147 1.00 0.00 H new ATOM 0 HB3 SER A 341 29.315 -4.043 5.509 1.00 0.00 H new ATOM 0 HG SER A 341 28.526 -6.122 6.169 1.00 0.00 H new ATOM 30 N GLY A 342 28.340 -1.565 5.895 1.00 0.00 N ATOM 31 CA GLY A 342 28.319 -0.542 6.924 1.00 0.00 C ATOM 32 C GLY A 342 27.141 0.400 6.781 1.00 0.00 C ATOM 33 O GLY A 342 26.249 0.423 7.629 1.00 0.00 O ATOM 0 H GLY A 342 29.186 -1.582 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 342 28.283 -1.018 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 342 29.245 0.031 6.882 1.00 0.00 H new ATOM 37 N SER A 343 27.137 1.182 5.706 1.00 0.00 N ATOM 38 CA SER A 343 26.062 2.135 5.457 1.00 0.00 C ATOM 39 C SER A 343 24.734 1.414 5.247 1.00 0.00 C ATOM 40 O SER A 343 24.309 1.193 4.113 1.00 0.00 O ATOM 41 CB SER A 343 26.388 2.996 4.234 1.00 0.00 C ATOM 42 OG SER A 343 27.104 4.160 4.607 1.00 0.00 O ATOM 0 H SER A 343 27.867 1.174 4.993 1.00 0.00 H new ATOM 0 HA SER A 343 25.971 2.779 6.332 1.00 0.00 H new ATOM 0 HB2 SER A 343 26.976 2.416 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 343 25.465 3.279 3.728 1.00 0.00 H new ATOM 0 HG SER A 343 27.302 4.692 3.808 1.00 0.00 H new ATOM 48 N SER A 344 24.085 1.051 6.348 1.00 0.00 N ATOM 49 CA SER A 344 22.807 0.351 6.285 1.00 0.00 C ATOM 50 C SER A 344 21.689 1.208 6.873 1.00 0.00 C ATOM 51 O SER A 344 21.911 1.991 7.796 1.00 0.00 O ATOM 52 CB SER A 344 22.892 -0.979 7.035 1.00 0.00 C ATOM 53 OG SER A 344 23.307 -2.025 6.173 1.00 0.00 O ATOM 0 H SER A 344 24.422 1.230 7.294 1.00 0.00 H new ATOM 0 HA SER A 344 22.580 0.155 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 344 23.593 -0.888 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 344 21.920 -1.221 7.464 1.00 0.00 H new ATOM 0 HG SER A 344 24.275 -2.154 6.258 1.00 0.00 H new ATOM 59 N GLY A 345 20.485 1.054 6.330 1.00 0.00 N ATOM 60 CA GLY A 345 19.350 1.819 6.811 1.00 0.00 C ATOM 61 C GLY A 345 18.142 0.948 7.095 1.00 0.00 C ATOM 62 O GLY A 345 18.200 -0.274 6.952 1.00 0.00 O ATOM 0 H GLY A 345 20.276 0.413 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 345 19.633 2.350 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 345 19.084 2.573 6.070 1.00 0.00 H new ATOM 66 N THR A 346 17.043 1.577 7.500 1.00 0.00 N ATOM 67 CA THR A 346 15.817 0.851 7.808 1.00 0.00 C ATOM 68 C THR A 346 15.226 0.215 6.555 1.00 0.00 C ATOM 69 O THR A 346 14.796 -0.938 6.576 1.00 0.00 O ATOM 70 CB THR A 346 14.763 1.775 8.446 1.00 0.00 C ATOM 71 OG1 THR A 346 13.594 1.022 8.787 1.00 0.00 O ATOM 72 CG2 THR A 346 14.387 2.904 7.498 1.00 0.00 C ATOM 0 H THR A 346 16.977 2.587 7.622 1.00 0.00 H new ATOM 0 HA THR A 346 16.082 0.069 8.519 1.00 0.00 H new ATOM 0 HB THR A 346 15.192 2.209 9.349 1.00 0.00 H new ATOM 0 HG1 THR A 346 12.929 1.616 9.194 1.00 0.00 H new ATOM 0 HG21 THR A 346 13.641 3.543 7.971 1.00 0.00 H new ATOM 0 HG22 THR A 346 15.274 3.493 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 346 13.976 2.486 6.579 1.00 0.00 H new ATOM 80 N GLY A 347 15.209 0.973 5.463 1.00 0.00 N ATOM 81 CA GLY A 347 14.669 0.465 4.215 1.00 0.00 C ATOM 82 C GLY A 347 13.547 1.329 3.675 1.00 0.00 C ATOM 83 O GLY A 347 12.443 1.336 4.219 1.00 0.00 O ATOM 0 H GLY A 347 15.560 1.930 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 347 15.467 0.406 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 347 14.301 -0.549 4.368 1.00 0.00 H new ATOM 87 N GLU A 348 13.830 2.061 2.602 1.00 0.00 N ATOM 88 CA GLU A 348 12.836 2.935 1.990 1.00 0.00 C ATOM 89 C GLU A 348 11.669 2.125 1.432 1.00 0.00 C ATOM 90 O GLU A 348 11.842 0.989 0.990 1.00 0.00 O ATOM 91 CB GLU A 348 13.473 3.766 0.874 1.00 0.00 C ATOM 92 CG GLU A 348 12.574 4.874 0.352 1.00 0.00 C ATOM 93 CD GLU A 348 13.246 5.716 -0.715 1.00 0.00 C ATOM 94 OE1 GLU A 348 13.416 5.215 -1.847 1.00 0.00 O ATOM 95 OE2 GLU A 348 13.603 6.876 -0.419 1.00 0.00 O ATOM 0 H GLU A 348 14.739 2.066 2.139 1.00 0.00 H new ATOM 0 HA GLU A 348 12.456 3.605 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 348 14.400 4.205 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 348 13.740 3.106 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 348 11.663 4.436 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 348 12.275 5.515 1.181 1.00 0.00 H new ATOM 102 N LYS A 349 10.480 2.717 1.458 1.00 0.00 N ATOM 103 CA LYS A 349 9.283 2.053 0.955 1.00 0.00 C ATOM 104 C LYS A 349 8.646 2.859 -0.172 1.00 0.00 C ATOM 105 O LYS A 349 7.837 3.759 0.057 1.00 0.00 O ATOM 106 CB LYS A 349 8.273 1.852 2.087 1.00 0.00 C ATOM 107 CG LYS A 349 8.863 1.186 3.318 1.00 0.00 C ATOM 108 CD LYS A 349 7.952 1.336 4.524 1.00 0.00 C ATOM 109 CE LYS A 349 8.723 1.188 5.827 1.00 0.00 C ATOM 110 NZ LYS A 349 9.575 -0.033 5.831 1.00 0.00 N ATOM 0 H LYS A 349 10.319 3.656 1.822 1.00 0.00 H new ATOM 0 HA LYS A 349 9.576 1.080 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 349 7.861 2.820 2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 349 7.444 1.248 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 349 9.029 0.128 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 349 9.836 1.625 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 349 7.467 2.312 4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 349 7.162 0.586 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 349 9.348 2.068 5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 349 8.022 1.145 6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 9.895 -0.230 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 9.025 -0.842 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 10.401 0.118 5.217 1.00 0.00 H new ATOM 124 N PRO A 350 9.016 2.531 -1.418 1.00 0.00 N ATOM 125 CA PRO A 350 8.491 3.212 -2.606 1.00 0.00 C ATOM 126 C PRO A 350 7.021 2.893 -2.854 1.00 0.00 C ATOM 127 O PRO A 350 6.286 3.704 -3.418 1.00 0.00 O ATOM 128 CB PRO A 350 9.356 2.662 -3.742 1.00 0.00 C ATOM 129 CG PRO A 350 9.822 1.333 -3.255 1.00 0.00 C ATOM 130 CD PRO A 350 9.976 1.469 -1.765 1.00 0.00 C ATOM 0 HA PRO A 350 8.534 4.297 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 350 8.784 2.567 -4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 350 10.197 3.323 -3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 350 9.103 0.552 -3.503 1.00 0.00 H new ATOM 0 HG3 PRO A 350 10.767 1.056 -3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 350 9.746 0.536 -1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 350 10.995 1.742 -1.490 1.00 0.00 H new ATOM 138 N PHE A 351 6.597 1.708 -2.427 1.00 0.00 N ATOM 139 CA PHE A 351 5.213 1.282 -2.604 1.00 0.00 C ATOM 140 C PHE A 351 4.296 1.988 -1.609 1.00 0.00 C ATOM 141 O PHE A 351 4.192 1.584 -0.451 1.00 0.00 O ATOM 142 CB PHE A 351 5.099 -0.234 -2.434 1.00 0.00 C ATOM 143 CG PHE A 351 5.924 -1.012 -3.419 1.00 0.00 C ATOM 144 CD1 PHE A 351 5.440 -1.282 -4.688 1.00 0.00 C ATOM 145 CD2 PHE A 351 7.184 -1.473 -3.074 1.00 0.00 C ATOM 146 CE1 PHE A 351 6.197 -1.997 -5.597 1.00 0.00 C ATOM 147 CE2 PHE A 351 7.947 -2.188 -3.979 1.00 0.00 C ATOM 148 CZ PHE A 351 7.452 -2.451 -5.241 1.00 0.00 C ATOM 0 H PHE A 351 7.191 1.026 -1.956 1.00 0.00 H new ATOM 0 HA PHE A 351 4.901 1.552 -3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 351 5.406 -0.502 -1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 351 4.054 -0.525 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 351 4.459 -0.930 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 351 7.575 -1.272 -2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 351 5.808 -2.200 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 351 8.929 -2.540 -3.699 1.00 0.00 H new ATOM 0 HZ PHE A 351 8.045 -3.011 -5.949 1.00 0.00 H new ATOM 158 N ALA A 352 3.634 3.043 -2.070 1.00 0.00 N ATOM 159 CA ALA A 352 2.724 3.804 -1.222 1.00 0.00 C ATOM 160 C ALA A 352 1.270 3.527 -1.589 1.00 0.00 C ATOM 161 O ALA A 352 0.944 3.314 -2.757 1.00 0.00 O ATOM 162 CB ALA A 352 3.023 5.292 -1.330 1.00 0.00 C ATOM 0 H ALA A 352 3.710 3.391 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 352 2.877 3.487 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 352 2.336 5.848 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 352 4.048 5.481 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 352 2.899 5.614 -2.364 1.00 0.00 H new ATOM 168 N CYS A 353 0.401 3.530 -0.584 1.00 0.00 N ATOM 169 CA CYS A 353 -1.019 3.278 -0.800 1.00 0.00 C ATOM 170 C CYS A 353 -1.630 4.344 -1.705 1.00 0.00 C ATOM 171 O CYS A 353 -1.206 5.500 -1.696 1.00 0.00 O ATOM 172 CB CYS A 353 -1.761 3.242 0.537 1.00 0.00 C ATOM 173 SG CYS A 353 -3.571 3.105 0.380 1.00 0.00 S ATOM 0 H CYS A 353 0.655 3.704 0.388 1.00 0.00 H new ATOM 0 HA CYS A 353 -1.120 2.310 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 353 -1.393 2.399 1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 353 -1.523 4.146 1.097 1.00 0.00 H new ATOM 178 N THR A 354 -2.628 3.946 -2.488 1.00 0.00 N ATOM 179 CA THR A 354 -3.297 4.866 -3.400 1.00 0.00 C ATOM 180 C THR A 354 -4.524 5.492 -2.747 1.00 0.00 C ATOM 181 O THR A 354 -4.877 6.635 -3.037 1.00 0.00 O ATOM 182 CB THR A 354 -3.726 4.157 -4.698 1.00 0.00 C ATOM 183 OG1 THR A 354 -2.598 3.510 -5.299 1.00 0.00 O ATOM 184 CG2 THR A 354 -4.331 5.147 -5.681 1.00 0.00 C ATOM 0 H THR A 354 -2.991 2.993 -2.509 1.00 0.00 H new ATOM 0 HA THR A 354 -2.579 5.649 -3.643 1.00 0.00 H new ATOM 0 HB THR A 354 -4.481 3.412 -4.446 1.00 0.00 H new ATOM 0 HG1 THR A 354 -2.880 3.060 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 354 -4.626 4.623 -6.590 1.00 0.00 H new ATOM 0 HG22 THR A 354 -5.206 5.617 -5.232 1.00 0.00 H new ATOM 0 HG23 THR A 354 -3.595 5.912 -5.926 1.00 0.00 H new ATOM 192 N TRP A 355 -5.169 4.737 -1.865 1.00 0.00 N ATOM 193 CA TRP A 355 -6.357 5.220 -1.170 1.00 0.00 C ATOM 194 C TRP A 355 -6.113 6.598 -0.567 1.00 0.00 C ATOM 195 O TRP A 355 -5.041 6.888 -0.033 1.00 0.00 O ATOM 196 CB TRP A 355 -6.767 4.235 -0.074 1.00 0.00 C ATOM 197 CG TRP A 355 -8.030 4.625 0.632 1.00 0.00 C ATOM 198 CD1 TRP A 355 -8.138 5.412 1.743 1.00 0.00 C ATOM 199 CD2 TRP A 355 -9.364 4.244 0.277 1.00 0.00 C ATOM 200 NE1 TRP A 355 -9.459 5.543 2.100 1.00 0.00 N ATOM 201 CE2 TRP A 355 -10.231 4.837 1.216 1.00 0.00 C ATOM 202 CE3 TRP A 355 -9.910 3.462 -0.744 1.00 0.00 C ATOM 203 CZ2 TRP A 355 -11.612 4.670 1.162 1.00 0.00 C ATOM 204 CZ3 TRP A 355 -11.281 3.296 -0.795 1.00 0.00 C ATOM 205 CH2 TRP A 355 -12.120 3.898 0.153 1.00 0.00 C ATOM 0 H TRP A 355 -4.890 3.789 -1.614 1.00 0.00 H new ATOM 0 HA TRP A 355 -7.165 5.301 -1.897 1.00 0.00 H new ATOM 0 HB2 TRP A 355 -6.895 3.246 -0.514 1.00 0.00 H new ATOM 0 HB3 TRP A 355 -5.961 4.157 0.655 1.00 0.00 H new ATOM 0 HD1 TRP A 355 -7.308 5.865 2.264 1.00 0.00 H new ATOM 0 HE1 TRP A 355 -9.808 6.079 2.895 1.00 0.00 H new ATOM 0 HE3 TRP A 355 -9.272 2.996 -1.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 355 -12.260 5.134 1.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 355 -11.714 2.692 -1.579 1.00 0.00 H new ATOM 0 HH2 TRP A 355 -13.188 3.750 0.086 1.00 0.00 H new ATOM 216 N PRO A 356 -7.128 7.471 -0.651 1.00 0.00 N ATOM 217 CA PRO A 356 -7.046 8.834 -0.117 1.00 0.00 C ATOM 218 C PRO A 356 -7.022 8.859 1.407 1.00 0.00 C ATOM 219 O PRO A 356 -7.725 8.090 2.062 1.00 0.00 O ATOM 220 CB PRO A 356 -8.321 9.498 -0.643 1.00 0.00 C ATOM 221 CG PRO A 356 -9.273 8.372 -0.860 1.00 0.00 C ATOM 222 CD PRO A 356 -8.433 7.195 -1.273 1.00 0.00 C ATOM 0 HA PRO A 356 -6.129 9.337 -0.424 1.00 0.00 H new ATOM 0 HB2 PRO A 356 -8.717 10.218 0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 356 -8.132 10.040 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 356 -9.832 8.153 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 356 -10.003 8.621 -1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 356 -8.856 6.255 -0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 356 -8.353 7.119 -2.357 1.00 0.00 H new ATOM 230 N GLY A 357 -6.209 9.749 1.967 1.00 0.00 N ATOM 231 CA GLY A 357 -6.109 9.858 3.411 1.00 0.00 C ATOM 232 C GLY A 357 -5.138 8.855 4.002 1.00 0.00 C ATOM 233 O GLY A 357 -4.365 9.185 4.903 1.00 0.00 O ATOM 0 H GLY A 357 -5.618 10.397 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -5.791 10.866 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -7.094 9.709 3.853 1.00 0.00 H new ATOM 237 N CYS A 358 -5.177 7.627 3.497 1.00 0.00 N ATOM 238 CA CYS A 358 -4.295 6.572 3.981 1.00 0.00 C ATOM 239 C CYS A 358 -2.834 6.917 3.711 1.00 0.00 C ATOM 240 O CYS A 358 -2.518 7.621 2.753 1.00 0.00 O ATOM 241 CB CYS A 358 -4.647 5.240 3.316 1.00 0.00 C ATOM 242 SG CYS A 358 -3.742 3.810 3.992 1.00 0.00 S ATOM 0 H CYS A 358 -5.811 7.338 2.752 1.00 0.00 H new ATOM 0 HA CYS A 358 -4.435 6.482 5.058 1.00 0.00 H new ATOM 0 HB2 CYS A 358 -5.717 5.064 3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 358 -4.443 5.314 2.248 1.00 0.00 H new ATOM 247 N GLY A 359 -1.945 6.416 4.564 1.00 0.00 N ATOM 248 CA GLY A 359 -0.528 6.682 4.400 1.00 0.00 C ATOM 249 C GLY A 359 0.328 5.467 4.698 1.00 0.00 C ATOM 250 O GLY A 359 1.352 5.572 5.374 1.00 0.00 O ATOM 0 H GLY A 359 -2.181 5.831 5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 359 -0.340 7.014 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.236 7.499 5.060 1.00 0.00 H new ATOM 254 N TRP A 360 -0.092 4.312 4.195 1.00 0.00 N ATOM 255 CA TRP A 360 0.644 3.071 4.413 1.00 0.00 C ATOM 256 C TRP A 360 1.606 2.799 3.263 1.00 0.00 C ATOM 257 O TRP A 360 1.218 2.840 2.095 1.00 0.00 O ATOM 258 CB TRP A 360 -0.327 1.900 4.570 1.00 0.00 C ATOM 259 CG TRP A 360 -0.746 1.661 5.990 1.00 0.00 C ATOM 260 CD1 TRP A 360 -1.911 2.061 6.579 1.00 0.00 C ATOM 261 CD2 TRP A 360 -0.001 0.970 6.998 1.00 0.00 C ATOM 262 NE1 TRP A 360 -1.935 1.660 7.893 1.00 0.00 N ATOM 263 CE2 TRP A 360 -0.776 0.988 8.174 1.00 0.00 C ATOM 264 CE3 TRP A 360 1.244 0.335 7.021 1.00 0.00 C ATOM 265 CZ2 TRP A 360 -0.344 0.397 9.359 1.00 0.00 C ATOM 266 CZ3 TRP A 360 1.671 -0.250 8.198 1.00 0.00 C ATOM 267 CH2 TRP A 360 0.879 -0.217 9.353 1.00 0.00 C ATOM 0 H TRP A 360 -0.937 4.208 3.634 1.00 0.00 H new ATOM 0 HA TRP A 360 1.225 3.178 5.329 1.00 0.00 H new ATOM 0 HB2 TRP A 360 -1.213 2.089 3.964 1.00 0.00 H new ATOM 0 HB3 TRP A 360 0.140 0.996 4.179 1.00 0.00 H new ATOM 0 HD1 TRP A 360 -2.698 2.612 6.085 1.00 0.00 H new ATOM 0 HE1 TRP A 360 -2.693 1.835 8.552 1.00 0.00 H new ATOM 0 HE3 TRP A 360 1.861 0.302 6.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 360 -0.953 0.422 10.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 360 2.632 -0.741 8.228 1.00 0.00 H new ATOM 0 HH2 TRP A 360 1.241 -0.685 10.256 1.00 0.00 H new ATOM 278 N ARG A 361 2.861 2.522 3.599 1.00 0.00 N ATOM 279 CA ARG A 361 3.879 2.244 2.593 1.00 0.00 C ATOM 280 C ARG A 361 4.512 0.875 2.823 1.00 0.00 C ATOM 281 O ARG A 361 4.368 0.285 3.894 1.00 0.00 O ATOM 282 CB ARG A 361 4.958 3.328 2.616 1.00 0.00 C ATOM 283 CG ARG A 361 4.511 4.647 2.007 1.00 0.00 C ATOM 284 CD ARG A 361 5.646 5.657 1.971 1.00 0.00 C ATOM 285 NE ARG A 361 5.720 6.443 3.199 1.00 0.00 N ATOM 286 CZ ARG A 361 6.764 7.195 3.529 1.00 0.00 C ATOM 287 NH1 ARG A 361 7.816 7.264 2.726 1.00 0.00 N ATOM 288 NH2 ARG A 361 6.756 7.882 4.665 1.00 0.00 N ATOM 0 H ARG A 361 3.198 2.484 4.561 1.00 0.00 H new ATOM 0 HA ARG A 361 3.397 2.242 1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 361 5.266 3.500 3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 361 5.834 2.968 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 361 4.143 4.476 0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 361 3.680 5.052 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 361 6.591 5.135 1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 361 5.509 6.325 1.121 1.00 0.00 H new ATOM 0 HE ARG A 361 4.926 6.413 3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 361 7.826 6.739 1.852 1.00 0.00 H new ATOM 0 HH12 ARG A 361 8.616 7.842 2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 361 5.948 7.833 5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 361 7.558 8.459 4.918 1.00 0.00 H new ATOM 302 N PHE A 362 5.213 0.375 1.811 1.00 0.00 N ATOM 303 CA PHE A 362 5.867 -0.925 1.903 1.00 0.00 C ATOM 304 C PHE A 362 7.105 -0.975 1.011 1.00 0.00 C ATOM 305 O PHE A 362 7.173 -0.296 -0.014 1.00 0.00 O ATOM 306 CB PHE A 362 4.895 -2.038 1.507 1.00 0.00 C ATOM 307 CG PHE A 362 3.545 -1.913 2.155 1.00 0.00 C ATOM 308 CD1 PHE A 362 2.607 -1.020 1.664 1.00 0.00 C ATOM 309 CD2 PHE A 362 3.216 -2.688 3.254 1.00 0.00 C ATOM 310 CE1 PHE A 362 1.365 -0.902 2.259 1.00 0.00 C ATOM 311 CE2 PHE A 362 1.975 -2.576 3.853 1.00 0.00 C ATOM 312 CZ PHE A 362 1.048 -1.682 3.354 1.00 0.00 C ATOM 0 H PHE A 362 5.343 0.850 0.918 1.00 0.00 H new ATOM 0 HA PHE A 362 6.178 -1.075 2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 362 4.771 -2.033 0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 362 5.330 -3.001 1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 362 2.849 -0.409 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 362 3.937 -3.388 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 362 0.643 -0.200 1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 362 1.731 -3.187 4.710 1.00 0.00 H new ATOM 0 HZ PHE A 362 0.077 -1.593 3.819 1.00 0.00 H new ATOM 322 N SER A 363 8.082 -1.783 1.410 1.00 0.00 N ATOM 323 CA SER A 363 9.319 -1.919 0.651 1.00 0.00 C ATOM 324 C SER A 363 9.116 -2.822 -0.562 1.00 0.00 C ATOM 325 O SER A 363 9.829 -2.710 -1.560 1.00 0.00 O ATOM 326 CB SER A 363 10.429 -2.483 1.540 1.00 0.00 C ATOM 327 OG SER A 363 10.660 -1.646 2.660 1.00 0.00 O ATOM 0 H SER A 363 8.041 -2.353 2.255 1.00 0.00 H new ATOM 0 HA SER A 363 9.611 -0.929 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 363 10.155 -3.482 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 363 11.347 -2.583 0.961 1.00 0.00 H new ATOM 0 HG SER A 363 11.373 -2.029 3.213 1.00 0.00 H new ATOM 333 N ARG A 364 8.138 -3.717 -0.468 1.00 0.00 N ATOM 334 CA ARG A 364 7.840 -4.640 -1.557 1.00 0.00 C ATOM 335 C ARG A 364 6.450 -4.377 -2.129 1.00 0.00 C ATOM 336 O ARG A 364 5.626 -3.712 -1.501 1.00 0.00 O ATOM 337 CB ARG A 364 7.936 -6.087 -1.067 1.00 0.00 C ATOM 338 CG ARG A 364 9.337 -6.493 -0.639 1.00 0.00 C ATOM 339 CD ARG A 364 9.333 -7.834 0.078 1.00 0.00 C ATOM 340 NE ARG A 364 10.680 -8.380 0.224 1.00 0.00 N ATOM 341 CZ ARG A 364 11.307 -9.056 -0.732 1.00 0.00 C ATOM 342 NH1 ARG A 364 10.712 -9.267 -1.898 1.00 0.00 N ATOM 343 NH2 ARG A 364 12.531 -9.521 -0.524 1.00 0.00 N ATOM 0 H ARG A 364 7.539 -3.823 0.351 1.00 0.00 H new ATOM 0 HA ARG A 364 8.574 -4.480 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 364 7.255 -6.223 -0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 364 7.600 -6.754 -1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 364 9.984 -6.549 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 364 9.754 -5.729 0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 364 8.880 -7.717 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 364 8.714 -8.540 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 364 11.166 -8.234 1.109 1.00 0.00 H new ATOM 0 HH11 ARG A 364 9.771 -8.910 -2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 364 11.196 -9.786 -2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 364 12.993 -9.360 0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 364 13.011 -10.040 -1.259 1.00 0.00 H new ATOM 357 N SER A 365 6.198 -4.903 -3.323 1.00 0.00 N ATOM 358 CA SER A 365 4.910 -4.721 -3.982 1.00 0.00 C ATOM 359 C SER A 365 3.828 -5.549 -3.297 1.00 0.00 C ATOM 360 O SER A 365 2.783 -5.027 -2.909 1.00 0.00 O ATOM 361 CB SER A 365 5.009 -5.110 -5.458 1.00 0.00 C ATOM 362 OG SER A 365 5.268 -6.496 -5.604 1.00 0.00 O ATOM 0 H SER A 365 6.869 -5.459 -3.854 1.00 0.00 H new ATOM 0 HA SER A 365 4.638 -3.668 -3.909 1.00 0.00 H new ATOM 0 HB2 SER A 365 4.080 -4.855 -5.968 1.00 0.00 H new ATOM 0 HB3 SER A 365 5.803 -4.536 -5.936 1.00 0.00 H new ATOM 0 HG SER A 365 5.325 -6.720 -6.556 1.00 0.00 H new ATOM 368 N ASP A 366 4.086 -6.844 -3.152 1.00 0.00 N ATOM 369 CA ASP A 366 3.135 -7.747 -2.513 1.00 0.00 C ATOM 370 C ASP A 366 2.669 -7.186 -1.173 1.00 0.00 C ATOM 371 O ASP A 366 1.479 -7.210 -0.861 1.00 0.00 O ATOM 372 CB ASP A 366 3.766 -9.126 -2.311 1.00 0.00 C ATOM 373 CG ASP A 366 4.521 -9.602 -3.536 1.00 0.00 C ATOM 374 OD1 ASP A 366 4.178 -9.163 -4.653 1.00 0.00 O ATOM 375 OD2 ASP A 366 5.457 -10.414 -3.377 1.00 0.00 O ATOM 0 H ASP A 366 4.946 -7.292 -3.468 1.00 0.00 H new ATOM 0 HA ASP A 366 2.268 -7.844 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 366 4.446 -9.090 -1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 366 2.986 -9.847 -2.066 1.00 0.00 H new ATOM 380 N GLU A 367 3.615 -6.682 -0.387 1.00 0.00 N ATOM 381 CA GLU A 367 3.300 -6.117 0.920 1.00 0.00 C ATOM 382 C GLU A 367 2.280 -4.989 0.793 1.00 0.00 C ATOM 383 O GLU A 367 1.435 -4.800 1.669 1.00 0.00 O ATOM 384 CB GLU A 367 4.571 -5.596 1.595 1.00 0.00 C ATOM 385 CG GLU A 367 5.549 -6.693 1.979 1.00 0.00 C ATOM 386 CD GLU A 367 5.257 -7.283 3.346 1.00 0.00 C ATOM 387 OE1 GLU A 367 4.929 -6.507 4.268 1.00 0.00 O ATOM 388 OE2 GLU A 367 5.356 -8.519 3.493 1.00 0.00 O ATOM 0 H GLU A 367 4.605 -6.653 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 367 2.868 -6.907 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 367 5.068 -4.896 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 367 4.295 -5.038 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 367 5.513 -7.485 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 367 6.562 -6.291 1.970 1.00 0.00 H new ATOM 395 N LEU A 368 2.366 -4.242 -0.302 1.00 0.00 N ATOM 396 CA LEU A 368 1.451 -3.132 -0.544 1.00 0.00 C ATOM 397 C LEU A 368 0.119 -3.634 -1.094 1.00 0.00 C ATOM 398 O LEU A 368 -0.947 -3.196 -0.662 1.00 0.00 O ATOM 399 CB LEU A 368 2.076 -2.135 -1.521 1.00 0.00 C ATOM 400 CG LEU A 368 1.096 -1.267 -2.313 1.00 0.00 C ATOM 401 CD1 LEU A 368 0.502 -0.186 -1.424 1.00 0.00 C ATOM 402 CD2 LEU A 368 1.787 -0.648 -3.520 1.00 0.00 C ATOM 0 H LEU A 368 3.060 -4.385 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 368 1.265 -2.632 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 368 2.742 -1.478 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 368 2.694 -2.688 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 368 0.285 -1.901 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 368 -0.192 0.421 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 368 -0.029 -0.650 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 368 1.301 0.446 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 368 1.075 -0.034 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 368 2.618 -0.027 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 368 2.163 -1.439 -4.169 1.00 0.00 H new ATOM 414 N SER A 369 0.189 -4.556 -2.049 1.00 0.00 N ATOM 415 CA SER A 369 -1.011 -5.117 -2.659 1.00 0.00 C ATOM 416 C SER A 369 -1.908 -5.757 -1.604 1.00 0.00 C ATOM 417 O SER A 369 -3.123 -5.557 -1.603 1.00 0.00 O ATOM 418 CB SER A 369 -0.633 -6.153 -3.720 1.00 0.00 C ATOM 419 OG SER A 369 -0.199 -5.525 -4.914 1.00 0.00 O ATOM 0 H SER A 369 1.064 -4.930 -2.417 1.00 0.00 H new ATOM 0 HA SER A 369 -1.561 -4.305 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 369 0.157 -6.799 -3.337 1.00 0.00 H new ATOM 0 HB3 SER A 369 -1.491 -6.791 -3.932 1.00 0.00 H new ATOM 0 HG SER A 369 0.038 -6.208 -5.575 1.00 0.00 H new ATOM 425 N ARG A 370 -1.301 -6.528 -0.708 1.00 0.00 N ATOM 426 CA ARG A 370 -2.044 -7.199 0.352 1.00 0.00 C ATOM 427 C ARG A 370 -2.752 -6.184 1.245 1.00 0.00 C ATOM 428 O ARG A 370 -3.790 -6.481 1.837 1.00 0.00 O ATOM 429 CB ARG A 370 -1.105 -8.067 1.191 1.00 0.00 C ATOM 430 CG ARG A 370 -0.060 -7.271 1.956 1.00 0.00 C ATOM 431 CD ARG A 370 0.672 -8.139 2.967 1.00 0.00 C ATOM 432 NE ARG A 370 -0.251 -8.859 3.840 1.00 0.00 N ATOM 433 CZ ARG A 370 0.135 -9.777 4.719 1.00 0.00 C ATOM 434 NH1 ARG A 370 1.418 -10.085 4.842 1.00 0.00 N ATOM 435 NH2 ARG A 370 -0.765 -10.389 5.479 1.00 0.00 N ATOM 0 H ARG A 370 -0.296 -6.704 -0.695 1.00 0.00 H new ATOM 0 HA ARG A 370 -2.797 -7.836 -0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 370 -1.696 -8.648 1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 370 -0.601 -8.779 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 370 0.657 -6.843 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 370 -0.540 -6.438 2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 370 1.305 -8.853 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 370 1.330 -7.515 3.571 1.00 0.00 H new ATOM 0 HE ARG A 370 -1.246 -8.645 3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 370 2.113 -9.617 4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 370 1.711 -10.790 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 370 -1.753 -10.154 5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 370 -0.468 -11.094 6.154 1.00 0.00 H new ATOM 449 N HIS A 371 -2.182 -4.987 1.339 1.00 0.00 N ATOM 450 CA HIS A 371 -2.759 -3.929 2.161 1.00 0.00 C ATOM 451 C HIS A 371 -3.962 -3.296 1.467 1.00 0.00 C ATOM 452 O HIS A 371 -5.000 -3.070 2.088 1.00 0.00 O ATOM 453 CB HIS A 371 -1.709 -2.859 2.462 1.00 0.00 C ATOM 454 CG HIS A 371 -2.295 -1.530 2.828 1.00 0.00 C ATOM 455 ND1 HIS A 371 -3.030 -1.323 3.976 1.00 0.00 N ATOM 456 CD2 HIS A 371 -2.250 -0.337 2.191 1.00 0.00 C ATOM 457 CE1 HIS A 371 -3.413 -0.059 4.029 1.00 0.00 C ATOM 458 NE2 HIS A 371 -2.952 0.561 2.957 1.00 0.00 N ATOM 0 H HIS A 371 -1.322 -4.725 0.857 1.00 0.00 H new ATOM 0 HA HIS A 371 -3.095 -4.373 3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 371 -1.074 -3.204 3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 371 -1.067 -2.736 1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 371 -3.245 -2.034 4.675 1.00 0.00 H new ATOM 0 HD2 HIS A 371 -1.754 -0.130 1.254 1.00 0.00 H new ATOM 0 HE1 HIS A 371 -4.002 0.390 4.815 1.00 0.00 H new ATOM 466 N ARG A 372 -3.813 -3.014 0.177 1.00 0.00 N ATOM 467 CA ARG A 372 -4.887 -2.406 -0.600 1.00 0.00 C ATOM 468 C ARG A 372 -6.219 -3.096 -0.319 1.00 0.00 C ATOM 469 O ARG A 372 -7.281 -2.484 -0.430 1.00 0.00 O ATOM 470 CB ARG A 372 -4.568 -2.478 -2.094 1.00 0.00 C ATOM 471 CG ARG A 372 -3.289 -1.752 -2.480 1.00 0.00 C ATOM 472 CD ARG A 372 -3.500 -0.247 -2.540 1.00 0.00 C ATOM 473 NE ARG A 372 -4.307 0.147 -3.693 1.00 0.00 N ATOM 474 CZ ARG A 372 -3.834 0.212 -4.932 1.00 0.00 C ATOM 475 NH1 ARG A 372 -2.567 -0.089 -5.179 1.00 0.00 N ATOM 476 NH2 ARG A 372 -4.630 0.579 -5.929 1.00 0.00 N ATOM 0 H ARG A 372 -2.960 -3.196 -0.352 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.969 -1.360 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -4.485 -3.524 -2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -5.400 -2.053 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -2.506 -1.982 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -2.944 -2.111 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -3.988 0.087 -1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -2.533 0.253 -2.587 1.00 0.00 H new ATOM 0 HE ARG A 372 -5.287 0.385 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -1.952 -0.372 -4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -2.207 -0.038 -6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -5.606 0.811 -5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -4.266 0.629 -6.880 1.00 0.00 H new ATOM 490 N ARG A 373 -6.153 -4.373 0.043 1.00 0.00 N ATOM 491 CA ARG A 373 -7.354 -5.146 0.337 1.00 0.00 C ATOM 492 C ARG A 373 -8.224 -4.429 1.365 1.00 0.00 C ATOM 493 O ARG A 373 -9.442 -4.345 1.211 1.00 0.00 O ATOM 494 CB ARG A 373 -6.977 -6.536 0.853 1.00 0.00 C ATOM 495 CG ARG A 373 -6.181 -7.361 -0.144 1.00 0.00 C ATOM 496 CD ARG A 373 -6.119 -8.824 0.266 1.00 0.00 C ATOM 497 NE ARG A 373 -5.415 -9.640 -0.720 1.00 0.00 N ATOM 498 CZ ARG A 373 -5.489 -10.965 -0.764 1.00 0.00 C ATOM 499 NH1 ARG A 373 -6.232 -11.621 0.116 1.00 0.00 N ATOM 500 NH2 ARG A 373 -4.819 -11.637 -1.692 1.00 0.00 N ATOM 0 H ARG A 373 -5.281 -4.894 0.140 1.00 0.00 H new ATOM 0 HA ARG A 373 -7.924 -5.250 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 373 -6.396 -6.429 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 373 -7.887 -7.076 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 373 -6.635 -7.278 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 373 -5.170 -6.961 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 373 -5.619 -8.909 1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 373 -7.131 -9.207 0.397 1.00 0.00 H new ATOM 0 HE ARG A 373 -4.835 -9.166 -1.412 1.00 0.00 H new ATOM 0 HH11 ARG A 373 -6.749 -11.108 0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 373 -6.287 -12.639 0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 373 -4.247 -11.136 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 373 -4.876 -12.655 -1.726 1.00 0.00 H new ATOM 514 N SER A 374 -7.590 -3.913 2.413 1.00 0.00 N ATOM 515 CA SER A 374 -8.306 -3.206 3.468 1.00 0.00 C ATOM 516 C SER A 374 -9.293 -2.204 2.878 1.00 0.00 C ATOM 517 O SER A 374 -10.397 -2.024 3.393 1.00 0.00 O ATOM 518 CB SER A 374 -7.320 -2.486 4.390 1.00 0.00 C ATOM 519 OG SER A 374 -6.610 -3.408 5.197 1.00 0.00 O ATOM 0 H SER A 374 -6.581 -3.971 2.554 1.00 0.00 H new ATOM 0 HA SER A 374 -8.864 -3.941 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 374 -6.618 -1.904 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 374 -7.858 -1.782 5.024 1.00 0.00 H new ATOM 0 HG SER A 374 -5.985 -2.923 5.776 1.00 0.00 H new ATOM 525 N HIS A 375 -8.887 -1.552 1.792 1.00 0.00 N ATOM 526 CA HIS A 375 -9.735 -0.568 1.130 1.00 0.00 C ATOM 527 C HIS A 375 -10.534 -1.211 0.000 1.00 0.00 C ATOM 528 O HIS A 375 -10.161 -2.265 -0.514 1.00 0.00 O ATOM 529 CB HIS A 375 -8.887 0.580 0.581 1.00 0.00 C ATOM 530 CG HIS A 375 -7.834 1.055 1.534 1.00 0.00 C ATOM 531 ND1 HIS A 375 -8.103 1.887 2.601 1.00 0.00 N ATOM 532 CD2 HIS A 375 -6.503 0.809 1.578 1.00 0.00 C ATOM 533 CE1 HIS A 375 -6.984 2.133 3.258 1.00 0.00 C ATOM 534 NE2 HIS A 375 -5.998 1.491 2.658 1.00 0.00 N ATOM 0 H HIS A 375 -7.977 -1.688 1.353 1.00 0.00 H new ATOM 0 HA HIS A 375 -10.434 -0.173 1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 375 -8.409 0.258 -0.344 1.00 0.00 H new ATOM 0 HB3 HIS A 375 -9.540 1.415 0.329 1.00 0.00 H new ATOM 0 HD1 HIS A 375 -9.023 2.255 2.845 1.00 0.00 H new ATOM 0 HD2 HIS A 375 -5.943 0.191 0.892 1.00 0.00 H new ATOM 0 HE1 HIS A 375 -6.891 2.754 4.137 1.00 0.00 H new ATOM 542 N SER A 376 -11.634 -0.569 -0.380 1.00 0.00 N ATOM 543 CA SER A 376 -12.488 -1.081 -1.446 1.00 0.00 C ATOM 544 C SER A 376 -12.111 -0.462 -2.788 1.00 0.00 C ATOM 545 O SER A 376 -12.401 0.705 -3.050 1.00 0.00 O ATOM 546 CB SER A 376 -13.958 -0.793 -1.133 1.00 0.00 C ATOM 547 OG SER A 376 -14.475 -1.731 -0.206 1.00 0.00 O ATOM 0 H SER A 376 -11.955 0.306 0.034 1.00 0.00 H new ATOM 0 HA SER A 376 -12.342 -2.159 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 376 -14.056 0.215 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 376 -14.542 -0.826 -2.053 1.00 0.00 H new ATOM 0 HG SER A 376 -15.415 -1.524 -0.021 1.00 0.00 H new ATOM 553 N GLY A 377 -11.462 -1.253 -3.637 1.00 0.00 N ATOM 554 CA GLY A 377 -11.055 -0.767 -4.942 1.00 0.00 C ATOM 555 C GLY A 377 -11.675 -1.561 -6.075 1.00 0.00 C ATOM 556 O GLY A 377 -12.865 -1.872 -6.046 1.00 0.00 O ATOM 0 H GLY A 377 -11.211 -2.223 -3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -11.337 0.281 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -9.969 -0.814 -5.021 1.00 0.00 H new ATOM 560 N VAL A 378 -10.866 -1.888 -7.078 1.00 0.00 N ATOM 561 CA VAL A 378 -11.341 -2.649 -8.227 1.00 0.00 C ATOM 562 C VAL A 378 -10.378 -3.779 -8.574 1.00 0.00 C ATOM 563 O VAL A 378 -9.160 -3.618 -8.494 1.00 0.00 O ATOM 564 CB VAL A 378 -11.524 -1.747 -9.462 1.00 0.00 C ATOM 565 CG1 VAL A 378 -10.188 -1.164 -9.899 1.00 0.00 C ATOM 566 CG2 VAL A 378 -12.173 -2.524 -10.597 1.00 0.00 C ATOM 0 H VAL A 378 -9.878 -1.637 -7.118 1.00 0.00 H new ATOM 0 HA VAL A 378 -12.307 -3.071 -7.949 1.00 0.00 H new ATOM 0 HB VAL A 378 -12.184 -0.922 -9.194 1.00 0.00 H new ATOM 0 HG11 VAL A 378 -10.336 -0.529 -10.773 1.00 0.00 H new ATOM 0 HG12 VAL A 378 -9.767 -0.571 -9.087 1.00 0.00 H new ATOM 0 HG13 VAL A 378 -9.503 -1.973 -10.151 1.00 0.00 H new ATOM 0 HG21 VAL A 378 -12.295 -1.871 -11.462 1.00 0.00 H new ATOM 0 HG22 VAL A 378 -11.541 -3.370 -10.867 1.00 0.00 H new ATOM 0 HG23 VAL A 378 -13.149 -2.888 -10.277 1.00 0.00 H new ATOM 576 N LYS A 379 -10.932 -4.923 -8.960 1.00 0.00 N ATOM 577 CA LYS A 379 -10.123 -6.082 -9.322 1.00 0.00 C ATOM 578 C LYS A 379 -10.763 -6.855 -10.470 1.00 0.00 C ATOM 579 O LYS A 379 -11.979 -7.040 -10.524 1.00 0.00 O ATOM 580 CB LYS A 379 -9.942 -7.001 -8.112 1.00 0.00 C ATOM 581 CG LYS A 379 -8.771 -7.959 -8.246 1.00 0.00 C ATOM 582 CD LYS A 379 -8.554 -8.756 -6.970 1.00 0.00 C ATOM 583 CE LYS A 379 -9.555 -9.894 -6.847 1.00 0.00 C ATOM 584 NZ LYS A 379 -10.865 -9.426 -6.317 1.00 0.00 N ATOM 0 H LYS A 379 -11.938 -5.073 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 379 -9.146 -5.725 -9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 379 -9.801 -6.390 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 379 -10.856 -7.576 -7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 379 -8.951 -8.642 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 379 -7.867 -7.399 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 379 -7.541 -9.158 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 379 -8.644 -8.096 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 379 -9.702 -10.355 -7.824 1.00 0.00 H new ATOM 0 HE3 LYS A 379 -9.151 -10.663 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 379 -11.150 -10.026 -5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 379 -10.778 -8.441 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 379 -11.583 -9.484 -7.067 1.00 0.00 H new ATOM 598 N PRO A 380 -9.927 -7.319 -11.411 1.00 0.00 N ATOM 599 CA PRO A 380 -10.390 -8.081 -12.575 1.00 0.00 C ATOM 600 C PRO A 380 -10.890 -9.470 -12.195 1.00 0.00 C ATOM 601 O PRO A 380 -11.031 -9.789 -11.015 1.00 0.00 O ATOM 602 CB PRO A 380 -9.139 -8.184 -13.451 1.00 0.00 C ATOM 603 CG PRO A 380 -7.999 -8.061 -12.500 1.00 0.00 C ATOM 604 CD PRO A 380 -8.466 -7.135 -11.411 1.00 0.00 C ATOM 0 HA PRO A 380 -11.234 -7.600 -13.069 1.00 0.00 H new ATOM 0 HB2 PRO A 380 -9.107 -9.133 -13.986 1.00 0.00 H new ATOM 0 HB3 PRO A 380 -9.115 -7.394 -14.202 1.00 0.00 H new ATOM 0 HG2 PRO A 380 -7.723 -9.034 -12.093 1.00 0.00 H new ATOM 0 HG3 PRO A 380 -7.116 -7.662 -12.999 1.00 0.00 H new ATOM 0 HD2 PRO A 380 -8.028 -7.395 -10.447 1.00 0.00 H new ATOM 0 HD3 PRO A 380 -8.191 -6.101 -11.618 1.00 0.00 H new ATOM 612 N SER A 381 -11.157 -10.294 -13.204 1.00 0.00 N ATOM 613 CA SER A 381 -11.646 -11.649 -12.976 1.00 0.00 C ATOM 614 C SER A 381 -10.606 -12.484 -12.234 1.00 0.00 C ATOM 615 O SER A 381 -10.879 -13.030 -11.166 1.00 0.00 O ATOM 616 CB SER A 381 -11.998 -12.318 -14.306 1.00 0.00 C ATOM 617 OG SER A 381 -13.002 -11.590 -14.992 1.00 0.00 O ATOM 0 H SER A 381 -11.043 -10.047 -14.187 1.00 0.00 H new ATOM 0 HA SER A 381 -12.543 -11.586 -12.360 1.00 0.00 H new ATOM 0 HB2 SER A 381 -11.106 -12.389 -14.929 1.00 0.00 H new ATOM 0 HB3 SER A 381 -12.342 -13.336 -14.125 1.00 0.00 H new ATOM 0 HG SER A 381 -13.208 -12.037 -15.840 1.00 0.00 H new ATOM 623 N GLY A 382 -9.411 -12.577 -12.810 1.00 0.00 N ATOM 624 CA GLY A 382 -8.348 -13.347 -12.190 1.00 0.00 C ATOM 625 C GLY A 382 -7.814 -14.435 -13.101 1.00 0.00 C ATOM 626 O GLY A 382 -6.757 -14.295 -13.716 1.00 0.00 O ATOM 0 H GLY A 382 -9.160 -12.134 -13.694 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -7.534 -12.678 -11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -8.719 -13.798 -11.269 1.00 0.00 H new ATOM 630 N PRO A 383 -8.553 -15.550 -13.194 1.00 0.00 N ATOM 631 CA PRO A 383 -8.167 -16.688 -14.032 1.00 0.00 C ATOM 632 C PRO A 383 -8.274 -16.375 -15.520 1.00 0.00 C ATOM 633 O PRO A 383 -7.871 -17.176 -16.364 1.00 0.00 O ATOM 634 CB PRO A 383 -9.171 -17.775 -13.640 1.00 0.00 C ATOM 635 CG PRO A 383 -10.360 -17.029 -13.140 1.00 0.00 C ATOM 636 CD PRO A 383 -9.824 -15.785 -12.488 1.00 0.00 C ATOM 0 HA PRO A 383 -7.127 -16.974 -13.876 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -9.428 -18.403 -14.493 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -8.764 -18.432 -12.871 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -11.037 -16.781 -13.957 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -10.927 -17.630 -12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -10.509 -14.945 -12.602 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -9.669 -15.927 -11.418 1.00 0.00 H new ATOM 644 N SER A 384 -8.820 -15.205 -15.836 1.00 0.00 N ATOM 645 CA SER A 384 -8.984 -14.788 -17.224 1.00 0.00 C ATOM 646 C SER A 384 -9.360 -15.974 -18.107 1.00 0.00 C ATOM 647 O SER A 384 -8.851 -16.121 -19.218 1.00 0.00 O ATOM 648 CB SER A 384 -7.697 -14.141 -17.739 1.00 0.00 C ATOM 649 OG SER A 384 -6.620 -15.061 -17.716 1.00 0.00 O ATOM 0 H SER A 384 -9.156 -14.529 -15.150 1.00 0.00 H new ATOM 0 HA SER A 384 -9.791 -14.057 -17.265 1.00 0.00 H new ATOM 0 HB2 SER A 384 -7.849 -13.780 -18.756 1.00 0.00 H new ATOM 0 HB3 SER A 384 -7.452 -13.274 -17.126 1.00 0.00 H new ATOM 0 HG SER A 384 -5.809 -14.624 -18.051 1.00 0.00 H new ATOM 655 N SER A 385 -10.256 -16.818 -17.604 1.00 0.00 N ATOM 656 CA SER A 385 -10.698 -17.994 -18.345 1.00 0.00 C ATOM 657 C SER A 385 -10.988 -17.641 -19.801 1.00 0.00 C ATOM 658 O SER A 385 -10.553 -18.336 -20.718 1.00 0.00 O ATOM 659 CB SER A 385 -11.947 -18.592 -17.694 1.00 0.00 C ATOM 660 OG SER A 385 -12.470 -19.652 -18.475 1.00 0.00 O ATOM 0 H SER A 385 -10.690 -16.709 -16.687 1.00 0.00 H new ATOM 0 HA SER A 385 -9.896 -18.732 -18.321 1.00 0.00 H new ATOM 0 HB2 SER A 385 -11.702 -18.957 -16.697 1.00 0.00 H new ATOM 0 HB3 SER A 385 -12.704 -17.817 -17.573 1.00 0.00 H new ATOM 0 HG SER A 385 -13.267 -20.019 -18.037 1.00 0.00 H new ATOM 666 N GLY A 386 -11.728 -16.555 -20.004 1.00 0.00 N ATOM 667 CA GLY A 386 -12.064 -16.129 -21.350 1.00 0.00 C ATOM 668 C GLY A 386 -12.928 -17.139 -22.079 1.00 0.00 C ATOM 669 O GLY A 386 -12.884 -18.332 -21.782 1.00 0.00 O ATOM 0 H GLY A 386 -12.100 -15.963 -19.261 1.00 0.00 H new ATOM 0 HA2 GLY A 386 -12.586 -15.173 -21.306 1.00 0.00 H new ATOM 0 HA3 GLY A 386 -11.147 -15.965 -21.915 1.00 0.00 H new TER 673 GLY A 386 HETATM 674 ZN ZN A 200 -4.109 2.165 2.452 1.00 0.00 ZN