USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=15 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 USER MOD Single : A 341 SER OG : rot 180:sc= 0 USER MOD Single : A 343 SER OG : rot -23:sc= 0.593 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 346 THR OG1 : rot 180:sc= 0 USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 354 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 365 SER OG : rot 180:sc= -0.12 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+ 172:sc= 0.283 (180deg=0.0667) USER MOD Single : A 381 SER OG : rot 47:sc= 1.2 USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 385 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 339 20.670 14.358 15.906 1.00 0.00 N ATOM 2 CA GLY A 339 21.117 12.983 16.034 1.00 0.00 C ATOM 3 C GLY A 339 19.969 12.018 16.252 1.00 0.00 C ATOM 4 O GLY A 339 19.337 11.569 15.297 1.00 0.00 O ATOM 0 HA2 GLY A 339 21.663 12.696 15.135 1.00 0.00 H new ATOM 0 HA3 GLY A 339 21.815 12.907 16.868 1.00 0.00 H new ATOM 8 N SER A 340 19.699 11.697 17.514 1.00 0.00 N ATOM 9 CA SER A 340 18.622 10.775 17.854 1.00 0.00 C ATOM 10 C SER A 340 18.868 9.402 17.236 1.00 0.00 C ATOM 11 O SER A 340 17.949 8.771 16.714 1.00 0.00 O ATOM 12 CB SER A 340 17.278 11.328 17.378 1.00 0.00 C ATOM 13 OG SER A 340 17.061 12.638 17.875 1.00 0.00 O ATOM 0 H SER A 340 20.211 12.062 18.317 1.00 0.00 H new ATOM 0 HA SER A 340 18.598 10.668 18.938 1.00 0.00 H new ATOM 0 HB2 SER A 340 17.251 11.340 16.288 1.00 0.00 H new ATOM 0 HB3 SER A 340 16.473 10.672 17.709 1.00 0.00 H new ATOM 0 HG SER A 340 16.196 12.970 17.555 1.00 0.00 H new ATOM 19 N SER A 341 20.114 8.945 17.299 1.00 0.00 N ATOM 20 CA SER A 341 20.483 7.649 16.742 1.00 0.00 C ATOM 21 C SER A 341 19.847 6.515 17.539 1.00 0.00 C ATOM 22 O SER A 341 19.979 6.449 18.761 1.00 0.00 O ATOM 23 CB SER A 341 22.005 7.489 16.731 1.00 0.00 C ATOM 24 OG SER A 341 22.405 6.481 15.819 1.00 0.00 O ATOM 0 H SER A 341 20.886 9.453 17.731 1.00 0.00 H new ATOM 0 HA SER A 341 20.113 7.603 15.718 1.00 0.00 H new ATOM 0 HB2 SER A 341 22.471 8.436 16.459 1.00 0.00 H new ATOM 0 HB3 SER A 341 22.355 7.237 17.732 1.00 0.00 H new ATOM 0 HG SER A 341 23.382 6.399 15.829 1.00 0.00 H new ATOM 30 N GLY A 342 19.156 5.621 16.838 1.00 0.00 N ATOM 31 CA GLY A 342 18.509 4.501 17.496 1.00 0.00 C ATOM 32 C GLY A 342 17.513 3.797 16.596 1.00 0.00 C ATOM 33 O GLY A 342 16.343 3.649 16.948 1.00 0.00 O ATOM 0 H GLY A 342 19.033 5.653 15.826 1.00 0.00 H new ATOM 0 HA2 GLY A 342 19.266 3.788 17.822 1.00 0.00 H new ATOM 0 HA3 GLY A 342 17.998 4.855 18.391 1.00 0.00 H new ATOM 37 N SER A 343 17.978 3.362 15.429 1.00 0.00 N ATOM 38 CA SER A 343 17.118 2.673 14.472 1.00 0.00 C ATOM 39 C SER A 343 17.948 1.858 13.485 1.00 0.00 C ATOM 40 O SER A 343 18.744 2.407 12.724 1.00 0.00 O ATOM 41 CB SER A 343 16.251 3.682 13.716 1.00 0.00 C ATOM 42 OG SER A 343 15.532 4.510 14.614 1.00 0.00 O ATOM 0 H SER A 343 18.945 3.474 15.123 1.00 0.00 H new ATOM 0 HA SER A 343 16.472 1.992 15.026 1.00 0.00 H new ATOM 0 HB2 SER A 343 16.880 4.298 13.073 1.00 0.00 H new ATOM 0 HB3 SER A 343 15.554 3.153 13.067 1.00 0.00 H new ATOM 0 HG SER A 343 15.447 4.058 15.479 1.00 0.00 H new ATOM 48 N SER A 344 17.754 0.543 13.504 1.00 0.00 N ATOM 49 CA SER A 344 18.487 -0.350 12.614 1.00 0.00 C ATOM 50 C SER A 344 17.551 -0.980 11.587 1.00 0.00 C ATOM 51 O SER A 344 16.459 -1.437 11.923 1.00 0.00 O ATOM 52 CB SER A 344 19.189 -1.445 13.420 1.00 0.00 C ATOM 53 OG SER A 344 20.428 -0.986 13.933 1.00 0.00 O ATOM 0 H SER A 344 17.096 0.073 14.125 1.00 0.00 H new ATOM 0 HA SER A 344 19.237 0.239 12.085 1.00 0.00 H new ATOM 0 HB2 SER A 344 18.548 -1.764 14.241 1.00 0.00 H new ATOM 0 HB3 SER A 344 19.354 -2.317 12.787 1.00 0.00 H new ATOM 0 HG SER A 344 20.856 -1.703 14.445 1.00 0.00 H new ATOM 59 N GLY A 345 17.989 -1.001 10.331 1.00 0.00 N ATOM 60 CA GLY A 345 17.179 -1.577 9.273 1.00 0.00 C ATOM 61 C GLY A 345 16.963 -0.615 8.121 1.00 0.00 C ATOM 62 O GLY A 345 15.879 -0.052 7.968 1.00 0.00 O ATOM 0 H GLY A 345 18.889 -0.630 10.028 1.00 0.00 H new ATOM 0 HA2 GLY A 345 17.661 -2.482 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 345 16.213 -1.875 9.680 1.00 0.00 H new ATOM 66 N THR A 346 17.998 -0.425 7.308 1.00 0.00 N ATOM 67 CA THR A 346 17.917 0.476 6.166 1.00 0.00 C ATOM 68 C THR A 346 16.962 -0.062 5.107 1.00 0.00 C ATOM 69 O THR A 346 16.796 -1.273 4.965 1.00 0.00 O ATOM 70 CB THR A 346 19.301 0.700 5.528 1.00 0.00 C ATOM 71 OG1 THR A 346 19.859 -0.553 5.117 1.00 0.00 O ATOM 72 CG2 THR A 346 20.244 1.385 6.506 1.00 0.00 C ATOM 0 H THR A 346 18.902 -0.884 7.420 1.00 0.00 H new ATOM 0 HA THR A 346 17.540 1.428 6.541 1.00 0.00 H new ATOM 0 HB THR A 346 19.176 1.344 4.658 1.00 0.00 H new ATOM 0 HG1 THR A 346 20.738 -0.402 4.711 1.00 0.00 H new ATOM 0 HG21 THR A 346 21.215 1.532 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 346 19.830 2.351 6.794 1.00 0.00 H new ATOM 0 HG23 THR A 346 20.363 0.763 7.393 1.00 0.00 H new ATOM 80 N GLY A 347 16.336 0.846 4.364 1.00 0.00 N ATOM 81 CA GLY A 347 15.406 0.441 3.326 1.00 0.00 C ATOM 82 C GLY A 347 14.108 1.224 3.374 1.00 0.00 C ATOM 83 O GLY A 347 13.289 1.024 4.270 1.00 0.00 O ATOM 0 H GLY A 347 16.456 1.854 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 347 15.873 0.577 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 347 15.190 -0.622 3.431 1.00 0.00 H new ATOM 87 N GLU A 348 13.922 2.118 2.408 1.00 0.00 N ATOM 88 CA GLU A 348 12.716 2.935 2.347 1.00 0.00 C ATOM 89 C GLU A 348 11.579 2.175 1.670 1.00 0.00 C ATOM 90 O GLU A 348 11.810 1.231 0.914 1.00 0.00 O ATOM 91 CB GLU A 348 12.993 4.238 1.593 1.00 0.00 C ATOM 92 CG GLU A 348 12.011 5.350 1.918 1.00 0.00 C ATOM 93 CD GLU A 348 12.454 6.696 1.380 1.00 0.00 C ATOM 94 OE1 GLU A 348 13.490 7.212 1.850 1.00 0.00 O ATOM 95 OE2 GLU A 348 11.765 7.234 0.488 1.00 0.00 O ATOM 0 H GLU A 348 14.590 2.295 1.658 1.00 0.00 H new ATOM 0 HA GLU A 348 12.416 3.171 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 348 14.002 4.576 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 348 12.964 4.041 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 348 11.035 5.100 1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 348 11.889 5.417 2.999 1.00 0.00 H new ATOM 102 N LYS A 349 10.348 2.593 1.947 1.00 0.00 N ATOM 103 CA LYS A 349 9.174 1.955 1.366 1.00 0.00 C ATOM 104 C LYS A 349 8.581 2.815 0.254 1.00 0.00 C ATOM 105 O LYS A 349 7.764 3.704 0.493 1.00 0.00 O ATOM 106 CB LYS A 349 8.119 1.701 2.445 1.00 0.00 C ATOM 107 CG LYS A 349 8.648 0.929 3.642 1.00 0.00 C ATOM 108 CD LYS A 349 7.637 0.898 4.776 1.00 0.00 C ATOM 109 CE LYS A 349 8.016 -0.130 5.832 1.00 0.00 C ATOM 110 NZ LYS A 349 8.957 0.432 6.840 1.00 0.00 N ATOM 0 H LYS A 349 10.138 3.372 2.571 1.00 0.00 H new ATOM 0 HA LYS A 349 9.485 1.002 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 349 7.723 2.657 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 349 7.288 1.150 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 349 8.890 -0.090 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 349 9.574 1.386 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 349 7.572 1.885 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 349 6.649 0.665 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 349 7.116 -0.484 6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 349 8.473 -0.994 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 9.191 -0.299 7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 9.827 0.747 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 8.511 1.241 7.318 1.00 0.00 H new ATOM 124 N PRO A 350 8.999 2.544 -0.991 1.00 0.00 N ATOM 125 CA PRO A 350 8.521 3.281 -2.165 1.00 0.00 C ATOM 126 C PRO A 350 7.061 2.978 -2.484 1.00 0.00 C ATOM 127 O PRO A 350 6.332 3.836 -2.981 1.00 0.00 O ATOM 128 CB PRO A 350 9.430 2.783 -3.291 1.00 0.00 C ATOM 129 CG PRO A 350 9.875 1.432 -2.849 1.00 0.00 C ATOM 130 CD PRO A 350 9.971 1.498 -1.350 1.00 0.00 C ATOM 0 HA PRO A 350 8.560 4.360 -2.013 1.00 0.00 H new ATOM 0 HB2 PRO A 350 8.895 2.733 -4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 350 10.279 3.451 -3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 350 9.165 0.666 -3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 350 10.838 1.174 -3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 350 9.721 0.542 -0.889 1.00 0.00 H new ATOM 0 HD3 PRO A 350 10.978 1.756 -1.023 1.00 0.00 H new ATOM 138 N PHE A 351 6.640 1.751 -2.195 1.00 0.00 N ATOM 139 CA PHE A 351 5.266 1.334 -2.453 1.00 0.00 C ATOM 140 C PHE A 351 4.305 1.991 -1.467 1.00 0.00 C ATOM 141 O PHE A 351 4.158 1.540 -0.332 1.00 0.00 O ATOM 142 CB PHE A 351 5.147 -0.189 -2.360 1.00 0.00 C ATOM 143 CG PHE A 351 5.980 -0.918 -3.375 1.00 0.00 C ATOM 144 CD1 PHE A 351 5.493 -1.154 -4.650 1.00 0.00 C ATOM 145 CD2 PHE A 351 7.251 -1.368 -3.053 1.00 0.00 C ATOM 146 CE1 PHE A 351 6.257 -1.824 -5.587 1.00 0.00 C ATOM 147 CE2 PHE A 351 8.020 -2.039 -3.985 1.00 0.00 C ATOM 148 CZ PHE A 351 7.522 -2.268 -5.253 1.00 0.00 C ATOM 0 H PHE A 351 7.230 1.028 -1.782 1.00 0.00 H new ATOM 0 HA PHE A 351 4.999 1.652 -3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 351 5.444 -0.508 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 351 4.102 -0.472 -2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 351 4.504 -0.810 -4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 351 7.645 -1.192 -2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 351 5.866 -2.000 -6.578 1.00 0.00 H new ATOM 0 HE2 PHE A 351 9.009 -2.384 -3.722 1.00 0.00 H new ATOM 0 HZ PHE A 351 8.121 -2.793 -5.982 1.00 0.00 H new ATOM 158 N ALA A 352 3.653 3.061 -1.910 1.00 0.00 N ATOM 159 CA ALA A 352 2.704 3.781 -1.068 1.00 0.00 C ATOM 160 C ALA A 352 1.269 3.514 -1.508 1.00 0.00 C ATOM 161 O ALA A 352 0.981 3.423 -2.701 1.00 0.00 O ATOM 162 CB ALA A 352 2.999 5.273 -1.098 1.00 0.00 C ATOM 0 H ALA A 352 3.764 3.449 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 352 2.816 3.421 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 352 2.283 5.798 -0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 352 4.009 5.452 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 352 2.916 5.640 -2.121 1.00 0.00 H new ATOM 168 N CYS A 353 0.371 3.390 -0.536 1.00 0.00 N ATOM 169 CA CYS A 353 -1.035 3.133 -0.821 1.00 0.00 C ATOM 170 C CYS A 353 -1.624 4.238 -1.693 1.00 0.00 C ATOM 171 O CYS A 353 -1.206 5.394 -1.617 1.00 0.00 O ATOM 172 CB CYS A 353 -1.829 3.018 0.481 1.00 0.00 C ATOM 173 SG CYS A 353 -3.625 2.830 0.243 1.00 0.00 S ATOM 0 H CYS A 353 0.593 3.464 0.457 1.00 0.00 H new ATOM 0 HA CYS A 353 -1.103 2.190 -1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 353 -1.457 2.164 1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 353 -1.645 3.906 1.086 1.00 0.00 H new ATOM 178 N THR A 354 -2.599 3.875 -2.521 1.00 0.00 N ATOM 179 CA THR A 354 -3.245 4.834 -3.408 1.00 0.00 C ATOM 180 C THR A 354 -4.462 5.467 -2.741 1.00 0.00 C ATOM 181 O THR A 354 -4.776 6.633 -2.979 1.00 0.00 O ATOM 182 CB THR A 354 -3.684 4.173 -4.728 1.00 0.00 C ATOM 183 OG1 THR A 354 -2.582 3.470 -5.314 1.00 0.00 O ATOM 184 CG2 THR A 354 -4.208 5.213 -5.707 1.00 0.00 C ATOM 0 H THR A 354 -2.958 2.923 -2.595 1.00 0.00 H new ATOM 0 HA THR A 354 -2.509 5.608 -3.625 1.00 0.00 H new ATOM 0 HB THR A 354 -4.487 3.470 -4.507 1.00 0.00 H new ATOM 0 HG1 THR A 354 -2.870 3.051 -6.152 1.00 0.00 H new ATOM 0 HG21 THR A 354 -4.512 4.722 -6.631 1.00 0.00 H new ATOM 0 HG22 THR A 354 -5.065 5.725 -5.270 1.00 0.00 H new ATOM 0 HG23 THR A 354 -3.423 5.938 -5.922 1.00 0.00 H new ATOM 192 N TRP A 355 -5.141 4.691 -1.904 1.00 0.00 N ATOM 193 CA TRP A 355 -6.324 5.176 -1.202 1.00 0.00 C ATOM 194 C TRP A 355 -6.080 6.565 -0.622 1.00 0.00 C ATOM 195 O TRP A 355 -5.005 6.868 -0.105 1.00 0.00 O ATOM 196 CB TRP A 355 -6.714 4.205 -0.086 1.00 0.00 C ATOM 197 CG TRP A 355 -7.975 4.593 0.625 1.00 0.00 C ATOM 198 CD1 TRP A 355 -8.083 5.392 1.727 1.00 0.00 C ATOM 199 CD2 TRP A 355 -9.308 4.197 0.282 1.00 0.00 C ATOM 200 NE1 TRP A 355 -9.402 5.516 2.091 1.00 0.00 N ATOM 201 CE2 TRP A 355 -10.174 4.794 1.220 1.00 0.00 C ATOM 202 CE3 TRP A 355 -9.854 3.399 -0.726 1.00 0.00 C ATOM 203 CZ2 TRP A 355 -11.554 4.614 1.178 1.00 0.00 C ATOM 204 CZ3 TRP A 355 -11.224 3.222 -0.766 1.00 0.00 C ATOM 205 CH2 TRP A 355 -12.061 3.828 0.180 1.00 0.00 C ATOM 0 H TRP A 355 -4.893 3.724 -1.695 1.00 0.00 H new ATOM 0 HA TRP A 355 -7.142 5.240 -1.920 1.00 0.00 H new ATOM 0 HB2 TRP A 355 -6.836 3.207 -0.508 1.00 0.00 H new ATOM 0 HB3 TRP A 355 -5.900 4.148 0.637 1.00 0.00 H new ATOM 0 HD1 TRP A 355 -7.253 5.858 2.238 1.00 0.00 H new ATOM 0 HE1 TRP A 355 -9.750 6.058 2.882 1.00 0.00 H new ATOM 0 HE3 TRP A 355 -9.217 2.929 -1.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 355 -12.201 5.078 1.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 355 -11.657 2.606 -1.540 1.00 0.00 H new ATOM 0 HH2 TRP A 355 -13.128 3.671 0.120 1.00 0.00 H new ATOM 216 N PRO A 356 -7.101 7.431 -0.708 1.00 0.00 N ATOM 217 CA PRO A 356 -7.022 8.802 -0.196 1.00 0.00 C ATOM 218 C PRO A 356 -6.981 8.850 1.328 1.00 0.00 C ATOM 219 O PRO A 356 -7.648 8.067 2.002 1.00 0.00 O ATOM 220 CB PRO A 356 -8.307 9.451 -0.717 1.00 0.00 C ATOM 221 CG PRO A 356 -9.254 8.316 -0.906 1.00 0.00 C ATOM 222 CD PRO A 356 -8.412 7.137 -1.311 1.00 0.00 C ATOM 0 HA PRO A 356 -6.112 9.306 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 356 -8.699 10.180 -0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 356 -8.132 9.981 -1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 356 -9.801 8.107 0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 356 -9.994 8.549 -1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 356 -8.825 6.200 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 356 -8.344 7.045 -2.395 1.00 0.00 H new ATOM 230 N GLY A 357 -6.193 9.777 1.865 1.00 0.00 N ATOM 231 CA GLY A 357 -6.080 9.910 3.306 1.00 0.00 C ATOM 232 C GLY A 357 -5.123 8.901 3.908 1.00 0.00 C ATOM 233 O GLY A 357 -4.384 9.215 4.842 1.00 0.00 O ATOM 0 H GLY A 357 -5.631 10.438 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -5.742 10.917 3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -7.064 9.787 3.757 1.00 0.00 H new ATOM 237 N CYS A 358 -5.137 7.684 3.376 1.00 0.00 N ATOM 238 CA CYS A 358 -4.266 6.623 3.867 1.00 0.00 C ATOM 239 C CYS A 358 -2.798 6.984 3.658 1.00 0.00 C ATOM 240 O CYS A 358 -2.461 7.764 2.768 1.00 0.00 O ATOM 241 CB CYS A 358 -4.584 5.304 3.161 1.00 0.00 C ATOM 242 SG CYS A 358 -3.595 3.890 3.745 1.00 0.00 S ATOM 0 H CYS A 358 -5.743 7.408 2.603 1.00 0.00 H new ATOM 0 HA CYS A 358 -4.445 6.507 4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 358 -5.641 5.076 3.299 1.00 0.00 H new ATOM 0 HB3 CYS A 358 -4.422 5.429 2.090 1.00 0.00 H new ATOM 247 N GLY A 359 -1.929 6.410 4.484 1.00 0.00 N ATOM 248 CA GLY A 359 -0.508 6.683 4.373 1.00 0.00 C ATOM 249 C GLY A 359 0.342 5.464 4.672 1.00 0.00 C ATOM 250 O GLY A 359 1.391 5.571 5.307 1.00 0.00 O ATOM 0 H GLY A 359 -2.184 5.761 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 359 -0.287 7.038 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.241 7.486 5.060 1.00 0.00 H new ATOM 254 N TRP A 360 -0.112 4.302 4.216 1.00 0.00 N ATOM 255 CA TRP A 360 0.613 3.057 4.441 1.00 0.00 C ATOM 256 C TRP A 360 1.553 2.757 3.278 1.00 0.00 C ATOM 257 O TRP A 360 1.139 2.758 2.118 1.00 0.00 O ATOM 258 CB TRP A 360 -0.367 1.899 4.632 1.00 0.00 C ATOM 259 CG TRP A 360 -0.807 1.721 6.053 1.00 0.00 C ATOM 260 CD1 TRP A 360 -2.020 2.056 6.584 1.00 0.00 C ATOM 261 CD2 TRP A 360 -0.037 1.168 7.126 1.00 0.00 C ATOM 262 NE1 TRP A 360 -2.051 1.744 7.922 1.00 0.00 N ATOM 263 CE2 TRP A 360 -0.846 1.198 8.279 1.00 0.00 C ATOM 264 CE3 TRP A 360 1.257 0.649 7.225 1.00 0.00 C ATOM 265 CZ2 TRP A 360 -0.402 0.729 9.512 1.00 0.00 C ATOM 266 CZ3 TRP A 360 1.696 0.185 8.450 1.00 0.00 C ATOM 267 CH2 TRP A 360 0.869 0.227 9.580 1.00 0.00 C ATOM 0 H TRP A 360 -0.979 4.196 3.688 1.00 0.00 H new ATOM 0 HA TRP A 360 1.209 3.172 5.346 1.00 0.00 H new ATOM 0 HB2 TRP A 360 -1.243 2.067 4.006 1.00 0.00 H new ATOM 0 HB3 TRP A 360 0.100 0.977 4.286 1.00 0.00 H new ATOM 0 HD1 TRP A 360 -2.835 2.501 6.033 1.00 0.00 H new ATOM 0 HE1 TRP A 360 -2.842 1.894 8.548 1.00 0.00 H new ATOM 0 HE3 TRP A 360 1.902 0.611 6.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 360 -1.038 0.760 10.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 360 2.694 -0.217 8.538 1.00 0.00 H new ATOM 0 HH2 TRP A 360 1.242 -0.144 10.523 1.00 0.00 H new ATOM 278 N ARG A 361 2.818 2.502 3.595 1.00 0.00 N ATOM 279 CA ARG A 361 3.816 2.202 2.575 1.00 0.00 C ATOM 280 C ARG A 361 4.439 0.830 2.813 1.00 0.00 C ATOM 281 O ARG A 361 4.235 0.216 3.860 1.00 0.00 O ATOM 282 CB ARG A 361 4.906 3.275 2.567 1.00 0.00 C ATOM 283 CG ARG A 361 4.401 4.653 2.172 1.00 0.00 C ATOM 284 CD ARG A 361 5.549 5.623 1.942 1.00 0.00 C ATOM 285 NE ARG A 361 5.927 6.325 3.166 1.00 0.00 N ATOM 286 CZ ARG A 361 6.765 7.356 3.193 1.00 0.00 C ATOM 287 NH1 ARG A 361 7.308 7.803 2.069 1.00 0.00 N ATOM 288 NH2 ARG A 361 7.060 7.942 4.346 1.00 0.00 N ATOM 0 H ARG A 361 3.176 2.497 4.550 1.00 0.00 H new ATOM 0 HA ARG A 361 3.318 2.193 1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 361 5.355 3.332 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 361 5.695 2.975 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 361 3.802 4.576 1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 361 3.748 5.040 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 361 6.411 5.079 1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 361 5.263 6.349 1.181 1.00 0.00 H new ATOM 0 HE ARG A 361 5.526 6.006 4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 361 7.083 7.355 1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 361 7.951 8.595 2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 361 6.644 7.601 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 361 7.703 8.733 4.366 1.00 0.00 H new ATOM 302 N PHE A 362 5.201 0.354 1.833 1.00 0.00 N ATOM 303 CA PHE A 362 5.854 -0.946 1.934 1.00 0.00 C ATOM 304 C PHE A 362 7.100 -0.998 1.056 1.00 0.00 C ATOM 305 O PHE A 362 7.198 -0.289 0.055 1.00 0.00 O ATOM 306 CB PHE A 362 4.885 -2.059 1.531 1.00 0.00 C ATOM 307 CG PHE A 362 3.527 -1.929 2.160 1.00 0.00 C ATOM 308 CD1 PHE A 362 2.608 -1.013 1.672 1.00 0.00 C ATOM 309 CD2 PHE A 362 3.169 -2.722 3.238 1.00 0.00 C ATOM 310 CE1 PHE A 362 1.358 -0.891 2.249 1.00 0.00 C ATOM 311 CE2 PHE A 362 1.920 -2.605 3.819 1.00 0.00 C ATOM 312 CZ PHE A 362 1.013 -1.688 3.323 1.00 0.00 C ATOM 0 H PHE A 362 5.381 0.849 0.960 1.00 0.00 H new ATOM 0 HA PHE A 362 6.156 -1.094 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 362 4.776 -2.059 0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 362 5.314 -3.022 1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 362 2.872 -0.388 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 362 3.874 -3.440 3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 362 0.651 -0.173 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 362 1.654 -3.229 4.659 1.00 0.00 H new ATOM 0 HZ PHE A 362 0.036 -1.595 3.774 1.00 0.00 H new ATOM 322 N SER A 363 8.051 -1.844 1.439 1.00 0.00 N ATOM 323 CA SER A 363 9.294 -1.987 0.690 1.00 0.00 C ATOM 324 C SER A 363 9.071 -2.796 -0.585 1.00 0.00 C ATOM 325 O SER A 363 9.687 -2.531 -1.617 1.00 0.00 O ATOM 326 CB SER A 363 10.361 -2.661 1.554 1.00 0.00 C ATOM 327 OG SER A 363 11.506 -2.991 0.787 1.00 0.00 O ATOM 0 H SER A 363 7.984 -2.441 2.264 1.00 0.00 H new ATOM 0 HA SER A 363 9.638 -0.991 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 363 10.645 -1.997 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 363 9.950 -3.564 2.006 1.00 0.00 H new ATOM 0 HG SER A 363 12.173 -3.419 1.363 1.00 0.00 H new ATOM 333 N ARG A 364 8.185 -3.783 -0.503 1.00 0.00 N ATOM 334 CA ARG A 364 7.880 -4.632 -1.648 1.00 0.00 C ATOM 335 C ARG A 364 6.491 -4.324 -2.199 1.00 0.00 C ATOM 336 O ARG A 364 5.700 -3.629 -1.562 1.00 0.00 O ATOM 337 CB ARG A 364 7.968 -6.108 -1.254 1.00 0.00 C ATOM 338 CG ARG A 364 9.378 -6.565 -0.917 1.00 0.00 C ATOM 339 CD ARG A 364 9.375 -7.924 -0.234 1.00 0.00 C ATOM 340 NE ARG A 364 10.725 -8.379 0.086 1.00 0.00 N ATOM 341 CZ ARG A 364 10.996 -9.260 1.042 1.00 0.00 C ATOM 342 NH1 ARG A 364 10.015 -9.778 1.768 1.00 0.00 N ATOM 343 NH2 ARG A 364 12.251 -9.624 1.274 1.00 0.00 N ATOM 0 H ARG A 364 7.666 -4.014 0.344 1.00 0.00 H new ATOM 0 HA ARG A 364 8.615 -4.426 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 364 7.322 -6.285 -0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 364 7.583 -6.717 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 364 9.973 -6.616 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 364 9.854 -5.831 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 364 8.785 -7.869 0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 364 8.891 -8.654 -0.882 1.00 0.00 H new ATOM 0 HE ARG A 364 11.502 -7.999 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 364 9.049 -9.500 1.593 1.00 0.00 H new ATOM 0 HH12 ARG A 364 10.226 -10.455 2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 364 13.008 -9.227 0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 364 12.458 -10.301 2.008 1.00 0.00 H new ATOM 357 N SER A 365 6.201 -4.846 -3.387 1.00 0.00 N ATOM 358 CA SER A 365 4.910 -4.623 -4.026 1.00 0.00 C ATOM 359 C SER A 365 3.817 -5.439 -3.341 1.00 0.00 C ATOM 360 O SER A 365 2.806 -4.895 -2.898 1.00 0.00 O ATOM 361 CB SER A 365 4.981 -4.988 -5.510 1.00 0.00 C ATOM 362 OG SER A 365 5.439 -6.317 -5.686 1.00 0.00 O ATOM 0 H SER A 365 6.843 -5.426 -3.926 1.00 0.00 H new ATOM 0 HA SER A 365 4.663 -3.565 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 365 3.996 -4.876 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 365 5.649 -4.298 -6.026 1.00 0.00 H new ATOM 0 HG SER A 365 5.474 -6.527 -6.643 1.00 0.00 H new ATOM 368 N ASP A 366 4.029 -6.748 -3.260 1.00 0.00 N ATOM 369 CA ASP A 366 3.064 -7.641 -2.629 1.00 0.00 C ATOM 370 C ASP A 366 2.632 -7.101 -1.270 1.00 0.00 C ATOM 371 O ASP A 366 1.445 -7.088 -0.945 1.00 0.00 O ATOM 372 CB ASP A 366 3.660 -9.040 -2.470 1.00 0.00 C ATOM 373 CG ASP A 366 3.913 -9.717 -3.803 1.00 0.00 C ATOM 374 OD1 ASP A 366 2.965 -10.312 -4.357 1.00 0.00 O ATOM 375 OD2 ASP A 366 5.059 -9.650 -4.294 1.00 0.00 O ATOM 0 H ASP A 366 4.860 -7.214 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 366 2.186 -7.700 -3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 366 4.597 -8.972 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 366 2.983 -9.655 -1.876 1.00 0.00 H new ATOM 380 N GLU A 367 3.604 -6.657 -0.479 1.00 0.00 N ATOM 381 CA GLU A 367 3.323 -6.118 0.847 1.00 0.00 C ATOM 382 C GLU A 367 2.310 -4.980 0.768 1.00 0.00 C ATOM 383 O GLU A 367 1.494 -4.796 1.672 1.00 0.00 O ATOM 384 CB GLU A 367 4.613 -5.622 1.504 1.00 0.00 C ATOM 385 CG GLU A 367 5.626 -6.725 1.763 1.00 0.00 C ATOM 386 CD GLU A 367 6.820 -6.243 2.564 1.00 0.00 C ATOM 387 OE1 GLU A 367 6.639 -5.892 3.748 1.00 0.00 O ATOM 388 OE2 GLU A 367 7.937 -6.217 2.005 1.00 0.00 O ATOM 0 H GLU A 367 4.592 -6.660 -0.733 1.00 0.00 H new ATOM 0 HA GLU A 367 2.899 -6.918 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 367 5.068 -4.865 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 367 4.367 -5.137 2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 367 5.140 -7.541 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 367 5.971 -7.128 0.811 1.00 0.00 H new ATOM 395 N LEU A 368 2.368 -4.218 -0.319 1.00 0.00 N ATOM 396 CA LEU A 368 1.457 -3.096 -0.517 1.00 0.00 C ATOM 397 C LEU A 368 0.116 -3.575 -1.066 1.00 0.00 C ATOM 398 O LEU A 368 -0.942 -3.159 -0.596 1.00 0.00 O ATOM 399 CB LEU A 368 2.076 -2.073 -1.471 1.00 0.00 C ATOM 400 CG LEU A 368 1.095 -1.141 -2.184 1.00 0.00 C ATOM 401 CD1 LEU A 368 0.623 -0.043 -1.244 1.00 0.00 C ATOM 402 CD2 LEU A 368 1.736 -0.542 -3.427 1.00 0.00 C ATOM 0 H LEU A 368 3.036 -4.357 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 368 1.285 -2.623 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 368 2.783 -1.463 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 368 2.650 -2.611 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 368 0.228 -1.725 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 368 -0.074 0.610 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 368 0.124 -0.490 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 368 1.480 0.539 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 368 1.024 0.118 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 368 2.621 0.027 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 368 2.024 -1.342 -4.109 1.00 0.00 H new ATOM 414 N SER A 369 0.170 -4.453 -2.063 1.00 0.00 N ATOM 415 CA SER A 369 -1.040 -4.987 -2.677 1.00 0.00 C ATOM 416 C SER A 369 -1.936 -5.642 -1.631 1.00 0.00 C ATOM 417 O SER A 369 -3.146 -5.417 -1.606 1.00 0.00 O ATOM 418 CB SER A 369 -0.680 -6.001 -3.764 1.00 0.00 C ATOM 419 OG SER A 369 -1.833 -6.680 -4.231 1.00 0.00 O ATOM 0 H SER A 369 1.038 -4.809 -2.462 1.00 0.00 H new ATOM 0 HA SER A 369 -1.585 -4.158 -3.129 1.00 0.00 H new ATOM 0 HB2 SER A 369 -0.193 -5.490 -4.595 1.00 0.00 H new ATOM 0 HB3 SER A 369 0.036 -6.722 -3.370 1.00 0.00 H new ATOM 0 HG SER A 369 -1.576 -7.321 -4.926 1.00 0.00 H new ATOM 425 N ARG A 370 -1.333 -6.454 -0.769 1.00 0.00 N ATOM 426 CA ARG A 370 -2.076 -7.144 0.279 1.00 0.00 C ATOM 427 C ARG A 370 -2.781 -6.146 1.193 1.00 0.00 C ATOM 428 O ARG A 370 -3.855 -6.426 1.725 1.00 0.00 O ATOM 429 CB ARG A 370 -1.137 -8.029 1.100 1.00 0.00 C ATOM 430 CG ARG A 370 -0.089 -7.250 1.877 1.00 0.00 C ATOM 431 CD ARG A 370 0.380 -8.016 3.104 1.00 0.00 C ATOM 432 NE ARG A 370 1.495 -7.350 3.772 1.00 0.00 N ATOM 433 CZ ARG A 370 2.029 -7.775 4.912 1.00 0.00 C ATOM 434 NH1 ARG A 370 1.551 -8.860 5.507 1.00 0.00 N ATOM 435 NH2 ARG A 370 3.042 -7.116 5.458 1.00 0.00 N ATOM 0 H ARG A 370 -0.332 -6.650 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 370 -2.831 -7.770 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 370 -1.728 -8.622 1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 370 -0.636 -8.729 0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 370 0.763 -7.040 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 370 -0.502 -6.289 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 370 -0.449 -8.124 3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 370 0.682 -9.021 2.810 1.00 0.00 H new ATOM 0 HE ARG A 370 1.885 -6.513 3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 370 0.772 -9.369 5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 370 1.962 -9.185 6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 370 3.412 -6.282 5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 370 3.451 -7.443 6.333 1.00 0.00 H new ATOM 449 N HIS A 371 -2.169 -4.979 1.370 1.00 0.00 N ATOM 450 CA HIS A 371 -2.737 -3.939 2.219 1.00 0.00 C ATOM 451 C HIS A 371 -3.929 -3.273 1.539 1.00 0.00 C ATOM 452 O HIS A 371 -4.922 -2.943 2.188 1.00 0.00 O ATOM 453 CB HIS A 371 -1.677 -2.890 2.556 1.00 0.00 C ATOM 454 CG HIS A 371 -2.249 -1.551 2.908 1.00 0.00 C ATOM 455 ND1 HIS A 371 -2.907 -1.303 4.094 1.00 0.00 N ATOM 456 CD2 HIS A 371 -2.257 -0.384 2.223 1.00 0.00 C ATOM 457 CE1 HIS A 371 -3.297 -0.041 4.122 1.00 0.00 C ATOM 458 NE2 HIS A 371 -2.914 0.539 2.999 1.00 0.00 N ATOM 0 H HIS A 371 -1.280 -4.730 0.937 1.00 0.00 H new ATOM 0 HA HIS A 371 -3.081 -4.406 3.142 1.00 0.00 H new ATOM 0 HB2 HIS A 371 -1.075 -3.249 3.390 1.00 0.00 H new ATOM 0 HB3 HIS A 371 -1.006 -2.777 1.704 1.00 0.00 H new ATOM 0 HD1 HIS A 371 -3.068 -1.987 4.834 1.00 0.00 H new ATOM 0 HD2 HIS A 371 -1.827 -0.211 1.248 1.00 0.00 H new ATOM 0 HE1 HIS A 371 -3.837 0.435 4.927 1.00 0.00 H new ATOM 466 N ARG A 372 -3.824 -3.079 0.228 1.00 0.00 N ATOM 467 CA ARG A 372 -4.893 -2.451 -0.539 1.00 0.00 C ATOM 468 C ARG A 372 -6.228 -3.143 -0.279 1.00 0.00 C ATOM 469 O ARG A 372 -7.291 -2.542 -0.436 1.00 0.00 O ATOM 470 CB ARG A 372 -4.568 -2.492 -2.034 1.00 0.00 C ATOM 471 CG ARG A 372 -3.264 -1.799 -2.392 1.00 0.00 C ATOM 472 CD ARG A 372 -3.478 -0.321 -2.680 1.00 0.00 C ATOM 473 NE ARG A 372 -3.861 -0.084 -4.069 1.00 0.00 N ATOM 474 CZ ARG A 372 -2.988 0.014 -5.066 1.00 0.00 C ATOM 475 NH1 ARG A 372 -1.690 -0.105 -4.828 1.00 0.00 N ATOM 476 NH2 ARG A 372 -3.414 0.230 -6.304 1.00 0.00 N ATOM 0 H ARG A 372 -3.010 -3.348 -0.325 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.974 -1.412 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -4.518 -3.531 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -5.382 -2.024 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -2.554 -1.912 -1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -2.823 -2.280 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -4.252 0.069 -2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -2.563 0.228 -2.458 1.00 0.00 H new ATOM 0 HE ARG A 372 -4.853 0.012 -4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -1.359 -0.272 -3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -1.022 -0.029 -5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -4.413 0.321 -6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -2.743 0.305 -7.068 1.00 0.00 H new ATOM 490 N ARG A 373 -6.164 -4.410 0.118 1.00 0.00 N ATOM 491 CA ARG A 373 -7.368 -5.184 0.398 1.00 0.00 C ATOM 492 C ARG A 373 -8.238 -4.481 1.436 1.00 0.00 C ATOM 493 O ARG A 373 -9.458 -4.411 1.292 1.00 0.00 O ATOM 494 CB ARG A 373 -6.996 -6.583 0.892 1.00 0.00 C ATOM 495 CG ARG A 373 -6.227 -7.406 -0.129 1.00 0.00 C ATOM 496 CD ARG A 373 -6.497 -8.893 0.038 1.00 0.00 C ATOM 497 NE ARG A 373 -6.080 -9.659 -1.134 1.00 0.00 N ATOM 498 CZ ARG A 373 -4.837 -10.085 -1.330 1.00 0.00 C ATOM 499 NH1 ARG A 373 -3.894 -9.820 -0.436 1.00 0.00 N ATOM 500 NH2 ARG A 373 -4.535 -10.777 -2.421 1.00 0.00 N ATOM 0 H ARG A 373 -5.292 -4.922 0.253 1.00 0.00 H new ATOM 0 HA ARG A 373 -7.937 -5.272 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 373 -6.397 -6.492 1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 373 -7.906 -7.117 1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 373 -6.508 -7.095 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 373 -5.159 -7.215 -0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 373 -5.970 -9.261 0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 373 -7.561 -9.051 0.215 1.00 0.00 H new ATOM 0 HE ARG A 373 -6.782 -9.879 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 373 -4.122 -9.288 0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 373 -2.940 -10.148 -0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 373 -5.258 -10.983 -3.111 1.00 0.00 H new ATOM 0 HH22 ARG A 373 -3.580 -11.103 -2.570 1.00 0.00 H new ATOM 514 N SER A 374 -7.601 -3.962 2.480 1.00 0.00 N ATOM 515 CA SER A 374 -8.317 -3.267 3.544 1.00 0.00 C ATOM 516 C SER A 374 -9.288 -2.243 2.967 1.00 0.00 C ATOM 517 O SER A 374 -10.378 -2.034 3.501 1.00 0.00 O ATOM 518 CB SER A 374 -7.329 -2.576 4.486 1.00 0.00 C ATOM 519 OG SER A 374 -8.001 -1.973 5.578 1.00 0.00 O ATOM 0 H SER A 374 -6.591 -4.009 2.612 1.00 0.00 H new ATOM 0 HA SER A 374 -8.888 -4.006 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 374 -6.606 -3.303 4.857 1.00 0.00 H new ATOM 0 HB3 SER A 374 -6.768 -1.819 3.938 1.00 0.00 H new ATOM 0 HG SER A 374 -7.347 -1.540 6.166 1.00 0.00 H new ATOM 525 N HIS A 375 -8.885 -1.606 1.872 1.00 0.00 N ATOM 526 CA HIS A 375 -9.720 -0.603 1.220 1.00 0.00 C ATOM 527 C HIS A 375 -10.554 -1.230 0.108 1.00 0.00 C ATOM 528 O HIS A 375 -10.099 -2.140 -0.585 1.00 0.00 O ATOM 529 CB HIS A 375 -8.853 0.521 0.651 1.00 0.00 C ATOM 530 CG HIS A 375 -7.817 1.022 1.610 1.00 0.00 C ATOM 531 ND1 HIS A 375 -8.113 1.851 2.672 1.00 0.00 N ATOM 532 CD2 HIS A 375 -6.482 0.806 1.664 1.00 0.00 C ATOM 533 CE1 HIS A 375 -7.005 2.124 3.336 1.00 0.00 C ATOM 534 NE2 HIS A 375 -6.001 1.502 2.746 1.00 0.00 N ATOM 0 H HIS A 375 -7.986 -1.766 1.418 1.00 0.00 H new ATOM 0 HA HIS A 375 -10.396 -0.188 1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 375 -8.358 0.165 -0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 375 -9.495 1.351 0.357 1.00 0.00 H new ATOM 0 HD1 HIS A 375 -9.043 2.199 2.907 1.00 0.00 H new ATOM 0 HD2 HIS A 375 -5.903 0.200 0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 375 -6.932 2.750 4.213 1.00 0.00 H new ATOM 542 N SER A 376 -11.778 -0.738 -0.057 1.00 0.00 N ATOM 543 CA SER A 376 -12.678 -1.254 -1.082 1.00 0.00 C ATOM 544 C SER A 376 -12.472 -0.520 -2.404 1.00 0.00 C ATOM 545 O SER A 376 -11.840 0.534 -2.450 1.00 0.00 O ATOM 546 CB SER A 376 -14.133 -1.115 -0.630 1.00 0.00 C ATOM 547 OG SER A 376 -14.531 -2.225 0.156 1.00 0.00 O ATOM 0 H SER A 376 -12.169 0.017 0.506 1.00 0.00 H new ATOM 0 HA SER A 376 -12.451 -2.309 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 376 -14.252 -0.197 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 376 -14.782 -1.032 -1.502 1.00 0.00 H new ATOM 0 HG SER A 376 -15.464 -2.111 0.434 1.00 0.00 H new ATOM 553 N GLY A 377 -13.012 -1.088 -3.479 1.00 0.00 N ATOM 554 CA GLY A 377 -12.878 -0.476 -4.788 1.00 0.00 C ATOM 555 C GLY A 377 -14.217 -0.114 -5.399 1.00 0.00 C ATOM 556 O GLY A 377 -15.069 0.481 -4.739 1.00 0.00 O ATOM 0 H GLY A 377 -13.540 -1.961 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -12.266 0.422 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -12.352 -1.160 -5.453 1.00 0.00 H new ATOM 560 N VAL A 378 -14.403 -0.473 -6.665 1.00 0.00 N ATOM 561 CA VAL A 378 -15.648 -0.182 -7.367 1.00 0.00 C ATOM 562 C VAL A 378 -16.838 -0.824 -6.663 1.00 0.00 C ATOM 563 O VAL A 378 -16.907 -2.046 -6.525 1.00 0.00 O ATOM 564 CB VAL A 378 -15.599 -0.677 -8.825 1.00 0.00 C ATOM 565 CG1 VAL A 378 -16.918 -0.395 -9.529 1.00 0.00 C ATOM 566 CG2 VAL A 378 -14.439 -0.032 -9.568 1.00 0.00 C ATOM 0 H VAL A 378 -13.708 -0.966 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 378 -15.768 0.901 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 378 -15.441 -1.756 -8.820 1.00 0.00 H new ATOM 0 HG11 VAL A 378 -16.865 -0.751 -10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 378 -17.726 -0.909 -9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 378 -17.110 0.678 -9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 378 -14.420 -0.393 -10.596 1.00 0.00 H new ATOM 0 HG22 VAL A 378 -14.563 1.051 -9.566 1.00 0.00 H new ATOM 0 HG23 VAL A 378 -13.502 -0.291 -9.075 1.00 0.00 H new ATOM 576 N LYS A 379 -17.775 0.007 -6.219 1.00 0.00 N ATOM 577 CA LYS A 379 -18.965 -0.478 -5.530 1.00 0.00 C ATOM 578 C LYS A 379 -19.603 -1.634 -6.295 1.00 0.00 C ATOM 579 O LYS A 379 -19.763 -1.590 -7.515 1.00 0.00 O ATOM 580 CB LYS A 379 -19.979 0.655 -5.360 1.00 0.00 C ATOM 581 CG LYS A 379 -21.195 0.266 -4.538 1.00 0.00 C ATOM 582 CD LYS A 379 -22.153 1.433 -4.372 1.00 0.00 C ATOM 583 CE LYS A 379 -22.823 1.795 -5.689 1.00 0.00 C ATOM 584 NZ LYS A 379 -23.754 0.728 -6.150 1.00 0.00 N ATOM 0 H LYS A 379 -17.733 1.021 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 379 -18.663 -0.838 -4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 379 -19.486 1.504 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 379 -20.308 0.987 -6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 379 -21.711 -0.564 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 379 -20.875 -0.085 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 379 -22.913 1.179 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 379 -21.612 2.298 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 379 -23.371 2.730 -5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 379 -22.061 1.965 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 379 -24.290 1.067 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 379 -23.209 -0.117 -6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 379 -24.414 0.488 -5.383 1.00 0.00 H new ATOM 598 N PRO A 380 -19.977 -2.694 -5.562 1.00 0.00 N ATOM 599 CA PRO A 380 -20.605 -3.880 -6.151 1.00 0.00 C ATOM 600 C PRO A 380 -22.019 -3.601 -6.649 1.00 0.00 C ATOM 601 O PRO A 380 -22.358 -3.910 -7.791 1.00 0.00 O ATOM 602 CB PRO A 380 -20.634 -4.878 -4.991 1.00 0.00 C ATOM 603 CG PRO A 380 -20.629 -4.033 -3.764 1.00 0.00 C ATOM 604 CD PRO A 380 -19.817 -2.815 -4.104 1.00 0.00 C ATOM 0 HA PRO A 380 -20.061 -4.237 -7.026 1.00 0.00 H new ATOM 0 HB2 PRO A 380 -21.522 -5.509 -5.034 1.00 0.00 H new ATOM 0 HB3 PRO A 380 -19.770 -5.542 -5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 380 -21.643 -3.758 -3.476 1.00 0.00 H new ATOM 0 HG3 PRO A 380 -20.193 -4.570 -2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 380 -20.184 -1.930 -3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 380 -18.771 -2.938 -3.823 1.00 0.00 H new ATOM 612 N SER A 381 -22.841 -3.014 -5.784 1.00 0.00 N ATOM 613 CA SER A 381 -24.220 -2.696 -6.136 1.00 0.00 C ATOM 614 C SER A 381 -24.903 -1.923 -5.012 1.00 0.00 C ATOM 615 O SER A 381 -24.317 -1.696 -3.954 1.00 0.00 O ATOM 616 CB SER A 381 -25.000 -3.977 -6.436 1.00 0.00 C ATOM 617 OG SER A 381 -24.915 -4.316 -7.810 1.00 0.00 O ATOM 0 H SER A 381 -22.576 -2.749 -4.835 1.00 0.00 H new ATOM 0 HA SER A 381 -24.206 -2.070 -7.028 1.00 0.00 H new ATOM 0 HB2 SER A 381 -24.608 -4.795 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 381 -26.045 -3.845 -6.155 1.00 0.00 H new ATOM 0 HG SER A 381 -23.984 -4.244 -8.108 1.00 0.00 H new ATOM 623 N GLY A 382 -26.148 -1.521 -5.249 1.00 0.00 N ATOM 624 CA GLY A 382 -26.891 -0.777 -4.249 1.00 0.00 C ATOM 625 C GLY A 382 -26.278 0.579 -3.961 1.00 0.00 C ATOM 626 O GLY A 382 -25.061 0.755 -4.002 1.00 0.00 O ATOM 0 H GLY A 382 -26.655 -1.697 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -27.918 -0.643 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -26.933 -1.356 -3.327 1.00 0.00 H new ATOM 630 N PRO A 383 -27.134 1.568 -3.662 1.00 0.00 N ATOM 631 CA PRO A 383 -26.693 2.933 -3.362 1.00 0.00 C ATOM 632 C PRO A 383 -25.966 3.026 -2.024 1.00 0.00 C ATOM 633 O PRO A 383 -24.868 3.577 -1.940 1.00 0.00 O ATOM 634 CB PRO A 383 -28.001 3.726 -3.316 1.00 0.00 C ATOM 635 CG PRO A 383 -29.042 2.720 -2.966 1.00 0.00 C ATOM 636 CD PRO A 383 -28.599 1.429 -3.595 1.00 0.00 C ATOM 0 HA PRO A 383 -25.980 3.303 -4.099 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -27.955 4.523 -2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -28.212 4.197 -4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -29.136 2.615 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -30.019 3.022 -3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -28.894 0.568 -2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -29.036 1.293 -4.584 1.00 0.00 H new ATOM 644 N SER A 384 -26.585 2.483 -0.980 1.00 0.00 N ATOM 645 CA SER A 384 -25.998 2.508 0.354 1.00 0.00 C ATOM 646 C SER A 384 -25.362 3.864 0.642 1.00 0.00 C ATOM 647 O SER A 384 -24.303 3.946 1.265 1.00 0.00 O ATOM 648 CB SER A 384 -24.952 1.401 0.495 1.00 0.00 C ATOM 649 OG SER A 384 -25.559 0.166 0.833 1.00 0.00 O ATOM 0 H SER A 384 -27.493 2.021 -1.033 1.00 0.00 H new ATOM 0 HA SER A 384 -26.795 2.339 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 384 -24.401 1.295 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 384 -24.228 1.676 1.262 1.00 0.00 H new ATOM 0 HG SER A 384 -24.870 -0.526 0.916 1.00 0.00 H new ATOM 655 N SER A 385 -26.016 4.927 0.185 1.00 0.00 N ATOM 656 CA SER A 385 -25.513 6.281 0.390 1.00 0.00 C ATOM 657 C SER A 385 -24.014 6.351 0.114 1.00 0.00 C ATOM 658 O SER A 385 -23.253 6.916 0.899 1.00 0.00 O ATOM 659 CB SER A 385 -25.803 6.744 1.819 1.00 0.00 C ATOM 660 OG SER A 385 -25.796 8.159 1.907 1.00 0.00 O ATOM 0 H SER A 385 -26.895 4.877 -0.330 1.00 0.00 H new ATOM 0 HA SER A 385 -26.024 6.943 -0.309 1.00 0.00 H new ATOM 0 HB2 SER A 385 -26.772 6.361 2.139 1.00 0.00 H new ATOM 0 HB3 SER A 385 -25.057 6.330 2.497 1.00 0.00 H new ATOM 0 HG SER A 385 -25.985 8.430 2.829 1.00 0.00 H new ATOM 666 N GLY A 386 -23.597 5.772 -1.008 1.00 0.00 N ATOM 667 CA GLY A 386 -22.192 5.779 -1.368 1.00 0.00 C ATOM 668 C GLY A 386 -21.580 4.392 -1.344 1.00 0.00 C ATOM 669 O GLY A 386 -21.827 3.582 -2.236 1.00 0.00 O ATOM 0 H GLY A 386 -24.208 5.298 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 386 -22.078 6.206 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 386 -21.647 6.425 -0.680 1.00 0.00 H new TER 673 GLY A 386 HETATM 674 ZN ZN A 200 -4.090 2.069 2.380 1.00 0.00 ZN