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 37:sc= 0.13 USER MOD Single : A 343 SER OG : rot 47:sc= 0.464 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 346 THR OG1 : rot 180:sc=-0.00187 USER MOD Single : A 349 LYS NZ :NH3+ 144:sc= -1.81 (180deg=-3.61!) USER MOD Single : A 354 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= -1.01 USER MOD Single : A 365 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 SER OG : rot 180:sc= 0 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 21.517 -14.197 2.669 1.00 0.00 N ATOM 2 CA GLY A 339 20.720 -13.032 2.331 1.00 0.00 C ATOM 3 C GLY A 339 21.315 -11.746 2.870 1.00 0.00 C ATOM 4 O GLY A 339 20.795 -11.166 3.823 1.00 0.00 O ATOM 0 HA2 GLY A 339 20.629 -12.960 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 339 19.713 -13.157 2.728 1.00 0.00 H new ATOM 8 N SER A 340 22.408 -11.300 2.260 1.00 0.00 N ATOM 9 CA SER A 340 23.078 -10.078 2.688 1.00 0.00 C ATOM 10 C SER A 340 22.060 -9.005 3.066 1.00 0.00 C ATOM 11 O SER A 340 21.232 -8.604 2.248 1.00 0.00 O ATOM 12 CB SER A 340 23.995 -9.558 1.579 1.00 0.00 C ATOM 13 OG SER A 340 25.072 -10.450 1.349 1.00 0.00 O ATOM 0 H SER A 340 22.849 -11.767 1.467 1.00 0.00 H new ATOM 0 HA SER A 340 23.679 -10.311 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 340 23.423 -9.429 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 340 24.383 -8.577 1.853 1.00 0.00 H new ATOM 0 HG SER A 340 25.643 -10.097 0.635 1.00 0.00 H new ATOM 19 N SER A 341 22.130 -8.545 4.311 1.00 0.00 N ATOM 20 CA SER A 341 21.213 -7.522 4.800 1.00 0.00 C ATOM 21 C SER A 341 21.924 -6.180 4.945 1.00 0.00 C ATOM 22 O SER A 341 22.366 -5.813 6.032 1.00 0.00 O ATOM 23 CB SER A 341 20.616 -7.943 6.144 1.00 0.00 C ATOM 24 OG SER A 341 19.818 -9.106 6.006 1.00 0.00 O ATOM 0 H SER A 341 22.812 -8.864 4.999 1.00 0.00 H new ATOM 0 HA SER A 341 20.409 -7.411 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 341 21.417 -8.131 6.859 1.00 0.00 H new ATOM 0 HB3 SER A 341 20.013 -7.130 6.548 1.00 0.00 H new ATOM 0 HG SER A 341 20.231 -9.711 5.354 1.00 0.00 H new ATOM 30 N GLY A 342 22.030 -5.451 3.837 1.00 0.00 N ATOM 31 CA GLY A 342 22.688 -4.158 3.861 1.00 0.00 C ATOM 32 C GLY A 342 21.975 -3.129 3.006 1.00 0.00 C ATOM 33 O GLY A 342 21.093 -3.470 2.218 1.00 0.00 O ATOM 0 H GLY A 342 21.672 -5.733 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 342 22.740 -3.799 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 342 23.714 -4.269 3.510 1.00 0.00 H new ATOM 37 N SER A 343 22.357 -1.865 3.162 1.00 0.00 N ATOM 38 CA SER A 343 21.744 -0.782 2.401 1.00 0.00 C ATOM 39 C SER A 343 22.713 -0.234 1.359 1.00 0.00 C ATOM 40 O SER A 343 23.518 0.651 1.648 1.00 0.00 O ATOM 41 CB SER A 343 21.299 0.341 3.341 1.00 0.00 C ATOM 42 OG SER A 343 22.366 0.763 4.172 1.00 0.00 O ATOM 0 H SER A 343 23.088 -1.566 3.808 1.00 0.00 H new ATOM 0 HA SER A 343 20.871 -1.182 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 343 20.933 1.185 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 343 20.469 -0.004 3.957 1.00 0.00 H new ATOM 0 HG SER A 343 23.169 0.902 3.628 1.00 0.00 H new ATOM 48 N SER A 344 22.630 -0.768 0.144 1.00 0.00 N ATOM 49 CA SER A 344 23.502 -0.337 -0.942 1.00 0.00 C ATOM 50 C SER A 344 22.807 0.703 -1.816 1.00 0.00 C ATOM 51 O SER A 344 22.923 0.678 -3.041 1.00 0.00 O ATOM 52 CB SER A 344 23.923 -1.536 -1.793 1.00 0.00 C ATOM 53 OG SER A 344 24.607 -2.501 -1.012 1.00 0.00 O ATOM 0 H SER A 344 21.967 -1.500 -0.113 1.00 0.00 H new ATOM 0 HA SER A 344 24.390 0.117 -0.503 1.00 0.00 H new ATOM 0 HB2 SER A 344 23.043 -1.990 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 344 24.566 -1.200 -2.607 1.00 0.00 H new ATOM 0 HG SER A 344 24.864 -3.258 -1.579 1.00 0.00 H new ATOM 59 N GLY A 345 22.083 1.617 -1.176 1.00 0.00 N ATOM 60 CA GLY A 345 21.379 2.652 -1.910 1.00 0.00 C ATOM 61 C GLY A 345 19.874 2.531 -1.784 1.00 0.00 C ATOM 62 O GLY A 345 19.171 3.533 -1.643 1.00 0.00 O ATOM 0 H GLY A 345 21.972 1.659 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 345 21.693 3.630 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 345 21.658 2.600 -2.963 1.00 0.00 H new ATOM 66 N THR A 346 19.374 1.300 -1.835 1.00 0.00 N ATOM 67 CA THR A 346 17.942 1.051 -1.728 1.00 0.00 C ATOM 68 C THR A 346 17.544 0.742 -0.290 1.00 0.00 C ATOM 69 O THR A 346 18.389 0.420 0.544 1.00 0.00 O ATOM 70 CB THR A 346 17.506 -0.118 -2.632 1.00 0.00 C ATOM 71 OG1 THR A 346 16.082 -0.122 -2.775 1.00 0.00 O ATOM 72 CG2 THR A 346 17.967 -1.448 -2.055 1.00 0.00 C ATOM 0 H THR A 346 19.940 0.460 -1.950 1.00 0.00 H new ATOM 0 HA THR A 346 17.438 1.961 -2.054 1.00 0.00 H new ATOM 0 HB THR A 346 17.968 0.016 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 346 15.813 -0.867 -3.352 1.00 0.00 H new ATOM 0 HG21 THR A 346 17.648 -2.259 -2.710 1.00 0.00 H new ATOM 0 HG22 THR A 346 19.054 -1.453 -1.975 1.00 0.00 H new ATOM 0 HG23 THR A 346 17.530 -1.587 -1.066 1.00 0.00 H new ATOM 80 N GLY A 347 16.249 0.842 -0.004 1.00 0.00 N ATOM 81 CA GLY A 347 15.761 0.570 1.335 1.00 0.00 C ATOM 82 C GLY A 347 14.406 1.198 1.597 1.00 0.00 C ATOM 83 O GLY A 347 13.528 0.569 2.187 1.00 0.00 O ATOM 0 H GLY A 347 15.529 1.107 -0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 347 15.693 -0.508 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 347 16.479 0.946 2.064 1.00 0.00 H new ATOM 87 N GLU A 348 14.238 2.442 1.160 1.00 0.00 N ATOM 88 CA GLU A 348 12.981 3.155 1.354 1.00 0.00 C ATOM 89 C GLU A 348 11.801 2.322 0.861 1.00 0.00 C ATOM 90 O GLU A 348 11.981 1.289 0.217 1.00 0.00 O ATOM 91 CB GLU A 348 13.012 4.498 0.621 1.00 0.00 C ATOM 92 CG GLU A 348 11.844 5.407 0.965 1.00 0.00 C ATOM 93 CD GLU A 348 12.180 6.876 0.800 1.00 0.00 C ATOM 94 OE1 GLU A 348 12.405 7.307 -0.350 1.00 0.00 O ATOM 95 OE2 GLU A 348 12.218 7.595 1.820 1.00 0.00 O ATOM 0 H GLU A 348 14.955 2.976 0.670 1.00 0.00 H new ATOM 0 HA GLU A 348 12.856 3.335 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 348 13.943 5.011 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 348 13.015 4.316 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 348 10.995 5.159 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 348 11.535 5.222 1.994 1.00 0.00 H new ATOM 102 N LYS A 349 10.592 2.779 1.170 1.00 0.00 N ATOM 103 CA LYS A 349 9.381 2.079 0.760 1.00 0.00 C ATOM 104 C LYS A 349 8.683 2.819 -0.377 1.00 0.00 C ATOM 105 O LYS A 349 7.877 3.723 -0.159 1.00 0.00 O ATOM 106 CB LYS A 349 8.426 1.929 1.947 1.00 0.00 C ATOM 107 CG LYS A 349 9.030 1.179 3.122 1.00 0.00 C ATOM 108 CD LYS A 349 7.989 0.885 4.189 1.00 0.00 C ATOM 109 CE LYS A 349 7.954 1.976 5.249 1.00 0.00 C ATOM 110 NZ LYS A 349 7.650 3.310 4.661 1.00 0.00 N ATOM 0 H LYS A 349 10.425 3.632 1.704 1.00 0.00 H new ATOM 0 HA LYS A 349 9.667 1.089 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 349 8.115 2.919 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 349 7.528 1.407 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 349 9.468 0.244 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 349 9.839 1.768 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 349 7.007 0.795 3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 349 8.209 -0.074 4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 349 7.202 1.730 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 349 8.915 2.015 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 7.061 3.855 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 8.538 3.822 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 7.138 3.186 3.764 1.00 0.00 H new ATOM 124 N PRO A 350 8.997 2.426 -1.621 1.00 0.00 N ATOM 125 CA PRO A 350 8.410 3.038 -2.816 1.00 0.00 C ATOM 126 C PRO A 350 6.933 2.696 -2.976 1.00 0.00 C ATOM 127 O PRO A 350 6.160 3.478 -3.531 1.00 0.00 O ATOM 128 CB PRO A 350 9.226 2.434 -3.961 1.00 0.00 C ATOM 129 CG PRO A 350 9.727 1.137 -3.426 1.00 0.00 C ATOM 130 CD PRO A 350 9.950 1.354 -1.955 1.00 0.00 C ATOM 0 HA PRO A 350 8.447 4.127 -2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 350 8.612 2.285 -4.849 1.00 0.00 H new ATOM 0 HB3 PRO A 350 10.049 3.088 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 350 9.005 0.339 -3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 350 10.652 0.842 -3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 350 9.754 0.448 -1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 350 10.978 1.649 -1.743 1.00 0.00 H new ATOM 138 N PHE A 351 6.546 1.522 -2.487 1.00 0.00 N ATOM 139 CA PHE A 351 5.160 1.076 -2.576 1.00 0.00 C ATOM 140 C PHE A 351 4.282 1.827 -1.579 1.00 0.00 C ATOM 141 O PHE A 351 4.190 1.452 -0.411 1.00 0.00 O ATOM 142 CB PHE A 351 5.069 -0.430 -2.320 1.00 0.00 C ATOM 143 CG PHE A 351 5.860 -1.252 -3.296 1.00 0.00 C ATOM 144 CD1 PHE A 351 5.332 -1.580 -4.535 1.00 0.00 C ATOM 145 CD2 PHE A 351 7.132 -1.699 -2.976 1.00 0.00 C ATOM 146 CE1 PHE A 351 6.057 -2.336 -5.436 1.00 0.00 C ATOM 147 CE2 PHE A 351 7.862 -2.455 -3.873 1.00 0.00 C ATOM 148 CZ PHE A 351 7.323 -2.776 -5.104 1.00 0.00 C ATOM 0 H PHE A 351 7.172 0.863 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 351 4.800 1.289 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 351 5.421 -0.641 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 351 4.024 -0.735 -2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 351 4.341 -1.240 -4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 351 7.558 -1.454 -2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 351 5.634 -2.582 -6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 351 8.853 -2.795 -3.612 1.00 0.00 H new ATOM 0 HZ PHE A 351 7.891 -3.370 -5.805 1.00 0.00 H new ATOM 158 N ALA A 352 3.638 2.890 -2.050 1.00 0.00 N ATOM 159 CA ALA A 352 2.766 3.692 -1.202 1.00 0.00 C ATOM 160 C ALA A 352 1.302 3.503 -1.585 1.00 0.00 C ATOM 161 O ALA A 352 0.963 3.432 -2.767 1.00 0.00 O ATOM 162 CB ALA A 352 3.151 5.162 -1.290 1.00 0.00 C ATOM 0 H ALA A 352 3.704 3.215 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 352 2.891 3.355 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 352 2.491 5.750 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 352 4.182 5.288 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 352 3.055 5.502 -2.321 1.00 0.00 H new ATOM 168 N CYS A 353 0.437 3.423 -0.579 1.00 0.00 N ATOM 169 CA CYS A 353 -0.991 3.241 -0.810 1.00 0.00 C ATOM 170 C CYS A 353 -1.554 4.379 -1.656 1.00 0.00 C ATOM 171 O CYS A 353 -1.124 5.527 -1.539 1.00 0.00 O ATOM 172 CB CYS A 353 -1.738 3.162 0.523 1.00 0.00 C ATOM 173 SG CYS A 353 -3.533 2.906 0.355 1.00 0.00 S ATOM 0 H CYS A 353 0.701 3.481 0.405 1.00 0.00 H new ATOM 0 HA CYS A 353 -1.131 2.306 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 353 -1.319 2.347 1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 353 -1.564 4.083 1.080 1.00 0.00 H new ATOM 178 N THR A 354 -2.521 4.053 -2.508 1.00 0.00 N ATOM 179 CA THR A 354 -3.144 5.046 -3.374 1.00 0.00 C ATOM 180 C THR A 354 -4.396 5.630 -2.729 1.00 0.00 C ATOM 181 O THR A 354 -4.771 6.770 -3.001 1.00 0.00 O ATOM 182 CB THR A 354 -3.517 4.444 -4.742 1.00 0.00 C ATOM 183 OG1 THR A 354 -2.363 3.850 -5.347 1.00 0.00 O ATOM 184 CG2 THR A 354 -4.087 5.510 -5.665 1.00 0.00 C ATOM 0 H THR A 354 -2.890 3.108 -2.617 1.00 0.00 H new ATOM 0 HA THR A 354 -2.412 5.840 -3.523 1.00 0.00 H new ATOM 0 HB THR A 354 -4.277 3.680 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 354 -2.609 3.468 -6.215 1.00 0.00 H new ATOM 0 HG21 THR A 354 -4.343 5.061 -6.625 1.00 0.00 H new ATOM 0 HG22 THR A 354 -4.982 5.940 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 354 -3.345 6.294 -5.817 1.00 0.00 H new ATOM 192 N TRP A 355 -5.038 4.841 -1.875 1.00 0.00 N ATOM 193 CA TRP A 355 -6.249 5.281 -1.191 1.00 0.00 C ATOM 194 C TRP A 355 -6.060 6.669 -0.588 1.00 0.00 C ATOM 195 O TRP A 355 -5.007 6.994 -0.037 1.00 0.00 O ATOM 196 CB TRP A 355 -6.632 4.284 -0.097 1.00 0.00 C ATOM 197 CG TRP A 355 -7.957 4.579 0.538 1.00 0.00 C ATOM 198 CD1 TRP A 355 -8.179 5.315 1.667 1.00 0.00 C ATOM 199 CD2 TRP A 355 -9.242 4.143 0.082 1.00 0.00 C ATOM 200 NE1 TRP A 355 -9.525 5.363 1.940 1.00 0.00 N ATOM 201 CE2 TRP A 355 -10.199 4.652 0.982 1.00 0.00 C ATOM 202 CE3 TRP A 355 -9.679 3.373 -1.000 1.00 0.00 C ATOM 203 CZ2 TRP A 355 -11.562 4.415 0.832 1.00 0.00 C ATOM 204 CZ3 TRP A 355 -11.032 3.138 -1.147 1.00 0.00 C ATOM 205 CH2 TRP A 355 -11.961 3.658 -0.236 1.00 0.00 C ATOM 0 H TRP A 355 -4.741 3.894 -1.640 1.00 0.00 H new ATOM 0 HA TRP A 355 -7.053 5.331 -1.925 1.00 0.00 H new ATOM 0 HB2 TRP A 355 -6.656 3.281 -0.522 1.00 0.00 H new ATOM 0 HB3 TRP A 355 -5.860 4.286 0.672 1.00 0.00 H new ATOM 0 HD1 TRP A 355 -7.410 5.789 2.258 1.00 0.00 H new ATOM 0 HE1 TRP A 355 -9.953 5.849 2.728 1.00 0.00 H new ATOM 0 HE3 TRP A 355 -8.971 2.969 -1.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 355 -12.280 4.814 1.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 355 -11.380 2.543 -1.979 1.00 0.00 H new ATOM 0 HH2 TRP A 355 -13.012 3.457 -0.379 1.00 0.00 H new ATOM 216 N PRO A 356 -7.101 7.508 -0.692 1.00 0.00 N ATOM 217 CA PRO A 356 -7.073 8.874 -0.161 1.00 0.00 C ATOM 218 C PRO A 356 -7.076 8.903 1.364 1.00 0.00 C ATOM 219 O PRO A 356 -7.806 8.151 2.008 1.00 0.00 O ATOM 220 CB PRO A 356 -8.360 9.494 -0.710 1.00 0.00 C ATOM 221 CG PRO A 356 -9.270 8.337 -0.939 1.00 0.00 C ATOM 222 CD PRO A 356 -8.386 7.187 -1.335 1.00 0.00 C ATOM 0 HA PRO A 356 -6.168 9.407 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 356 -8.791 10.203 -0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 356 -8.173 10.040 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 356 -9.836 8.102 -0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 356 -9.995 8.560 -1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 356 -8.784 6.235 -0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 356 -8.286 7.111 -2.418 1.00 0.00 H new ATOM 230 N GLY A 357 -6.254 9.778 1.936 1.00 0.00 N ATOM 231 CA GLY A 357 -6.178 9.889 3.381 1.00 0.00 C ATOM 232 C GLY A 357 -5.231 8.875 3.991 1.00 0.00 C ATOM 233 O GLY A 357 -4.490 9.189 4.924 1.00 0.00 O ATOM 0 H GLY A 357 -5.640 10.412 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -5.851 10.894 3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -7.173 9.754 3.806 1.00 0.00 H new ATOM 237 N CYS A 358 -5.254 7.655 3.466 1.00 0.00 N ATOM 238 CA CYS A 358 -4.394 6.590 3.966 1.00 0.00 C ATOM 239 C CYS A 358 -2.922 6.942 3.767 1.00 0.00 C ATOM 240 O CYS A 358 -2.573 7.720 2.880 1.00 0.00 O ATOM 241 CB CYS A 358 -4.714 5.272 3.258 1.00 0.00 C ATOM 242 SG CYS A 358 -3.765 3.846 3.877 1.00 0.00 S ATOM 0 H CYS A 358 -5.860 7.379 2.693 1.00 0.00 H new ATOM 0 HA CYS A 358 -4.582 6.476 5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 358 -5.778 5.062 3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 358 -4.520 5.388 2.192 1.00 0.00 H new ATOM 247 N GLY A 359 -2.063 6.362 4.600 1.00 0.00 N ATOM 248 CA GLY A 359 -0.639 6.626 4.500 1.00 0.00 C ATOM 249 C GLY A 359 0.200 5.395 4.776 1.00 0.00 C ATOM 250 O GLY A 359 1.159 5.449 5.546 1.00 0.00 O ATOM 0 H GLY A 359 -2.328 5.714 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 359 -0.411 7.001 3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.368 7.412 5.205 1.00 0.00 H new ATOM 254 N TRP A 360 -0.162 4.282 4.148 1.00 0.00 N ATOM 255 CA TRP A 360 0.564 3.030 4.332 1.00 0.00 C ATOM 256 C TRP A 360 1.563 2.809 3.202 1.00 0.00 C ATOM 257 O TRP A 360 1.229 2.964 2.027 1.00 0.00 O ATOM 258 CB TRP A 360 -0.413 1.855 4.402 1.00 0.00 C ATOM 259 CG TRP A 360 -0.872 1.547 5.796 1.00 0.00 C ATOM 260 CD1 TRP A 360 -1.998 2.015 6.410 1.00 0.00 C ATOM 261 CD2 TRP A 360 -0.214 0.704 6.747 1.00 0.00 C ATOM 262 NE1 TRP A 360 -2.080 1.514 7.687 1.00 0.00 N ATOM 263 CE2 TRP A 360 -0.998 0.706 7.918 1.00 0.00 C ATOM 264 CE3 TRP A 360 0.960 -0.054 6.725 1.00 0.00 C ATOM 265 CZ2 TRP A 360 -0.644 -0.019 9.052 1.00 0.00 C ATOM 266 CZ3 TRP A 360 1.310 -0.773 7.851 1.00 0.00 C ATOM 267 CH2 TRP A 360 0.510 -0.753 9.002 1.00 0.00 C ATOM 0 H TRP A 360 -0.953 4.221 3.507 1.00 0.00 H new ATOM 0 HA TRP A 360 1.114 3.093 5.271 1.00 0.00 H new ATOM 0 HB2 TRP A 360 -1.281 2.076 3.782 1.00 0.00 H new ATOM 0 HB3 TRP A 360 0.063 0.970 3.980 1.00 0.00 H new ATOM 0 HD1 TRP A 360 -2.718 2.681 5.958 1.00 0.00 H new ATOM 0 HE1 TRP A 360 -2.825 1.712 8.355 1.00 0.00 H new ATOM 0 HE3 TRP A 360 1.583 -0.077 5.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 360 -1.258 -0.003 9.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 360 2.216 -1.361 7.845 1.00 0.00 H new ATOM 0 HH2 TRP A 360 0.810 -1.328 9.866 1.00 0.00 H new ATOM 278 N ARG A 361 2.790 2.447 3.564 1.00 0.00 N ATOM 279 CA ARG A 361 3.837 2.206 2.579 1.00 0.00 C ATOM 280 C ARG A 361 4.497 0.850 2.808 1.00 0.00 C ATOM 281 O ARG A 361 4.363 0.255 3.878 1.00 0.00 O ATOM 282 CB ARG A 361 4.890 3.315 2.641 1.00 0.00 C ATOM 283 CG ARG A 361 4.407 4.645 2.087 1.00 0.00 C ATOM 284 CD ARG A 361 5.555 5.458 1.511 1.00 0.00 C ATOM 285 NE ARG A 361 5.271 6.891 1.523 1.00 0.00 N ATOM 286 CZ ARG A 361 6.154 7.818 1.167 1.00 0.00 C ATOM 287 NH1 ARG A 361 7.369 7.464 0.773 1.00 0.00 N ATOM 288 NH2 ARG A 361 5.821 9.102 1.205 1.00 0.00 N ATOM 0 H ARG A 361 3.083 2.314 4.532 1.00 0.00 H new ATOM 0 HA ARG A 361 3.378 2.205 1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 361 5.199 3.453 3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 361 5.772 2.998 2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 361 3.660 4.468 1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 361 3.918 5.214 2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 361 6.461 5.263 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 361 5.750 5.136 0.488 1.00 0.00 H new ATOM 0 HE ARG A 361 4.345 7.197 1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 361 7.628 6.478 0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 361 8.045 8.178 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 361 4.887 9.378 1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 361 6.499 9.813 0.932 1.00 0.00 H new ATOM 302 N PHE A 362 5.210 0.366 1.796 1.00 0.00 N ATOM 303 CA PHE A 362 5.890 -0.921 1.887 1.00 0.00 C ATOM 304 C PHE A 362 7.122 -0.950 0.987 1.00 0.00 C ATOM 305 O PHE A 362 7.182 -0.249 -0.024 1.00 0.00 O ATOM 306 CB PHE A 362 4.936 -2.054 1.501 1.00 0.00 C ATOM 307 CG PHE A 362 3.573 -1.925 2.118 1.00 0.00 C ATOM 308 CD1 PHE A 362 2.660 -1.006 1.626 1.00 0.00 C ATOM 309 CD2 PHE A 362 3.204 -2.724 3.188 1.00 0.00 C ATOM 310 CE1 PHE A 362 1.405 -0.885 2.192 1.00 0.00 C ATOM 311 CE2 PHE A 362 1.950 -2.608 3.758 1.00 0.00 C ATOM 312 CZ PHE A 362 1.049 -1.688 3.258 1.00 0.00 C ATOM 0 H PHE A 362 5.332 0.845 0.904 1.00 0.00 H new ATOM 0 HA PHE A 362 6.212 -1.062 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 362 4.834 -2.079 0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 362 5.374 -3.006 1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 362 2.932 -0.377 0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 362 3.904 -3.446 3.581 1.00 0.00 H new ATOM 0 HE1 PHE A 362 0.703 -0.163 1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 362 1.675 -3.236 4.593 1.00 0.00 H new ATOM 0 HZ PHE A 362 0.068 -1.597 3.700 1.00 0.00 H new ATOM 322 N SER A 363 8.102 -1.765 1.362 1.00 0.00 N ATOM 323 CA SER A 363 9.335 -1.883 0.592 1.00 0.00 C ATOM 324 C SER A 363 9.131 -2.778 -0.627 1.00 0.00 C ATOM 325 O SER A 363 9.816 -2.632 -1.640 1.00 0.00 O ATOM 326 CB SER A 363 10.457 -2.443 1.468 1.00 0.00 C ATOM 327 OG SER A 363 10.687 -1.614 2.594 1.00 0.00 O ATOM 0 H SER A 363 8.067 -2.354 2.194 1.00 0.00 H new ATOM 0 HA SER A 363 9.615 -0.888 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 363 10.196 -3.448 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 363 11.372 -2.528 0.882 1.00 0.00 H new ATOM 0 HG SER A 363 11.407 -1.995 3.139 1.00 0.00 H new ATOM 333 N ARG A 364 8.184 -3.704 -0.521 1.00 0.00 N ATOM 334 CA ARG A 364 7.890 -4.625 -1.613 1.00 0.00 C ATOM 335 C ARG A 364 6.499 -4.364 -2.183 1.00 0.00 C ATOM 336 O ARG A 364 5.706 -3.627 -1.598 1.00 0.00 O ATOM 337 CB ARG A 364 7.992 -6.072 -1.129 1.00 0.00 C ATOM 338 CG ARG A 364 9.341 -6.417 -0.520 1.00 0.00 C ATOM 339 CD ARG A 364 9.292 -7.740 0.229 1.00 0.00 C ATOM 340 NE ARG A 364 10.609 -8.363 0.326 1.00 0.00 N ATOM 341 CZ ARG A 364 10.824 -9.540 0.903 1.00 0.00 C ATOM 342 NH1 ARG A 364 9.815 -10.218 1.432 1.00 0.00 N ATOM 343 NH2 ARG A 364 12.052 -10.042 0.951 1.00 0.00 N ATOM 0 H ARG A 364 7.607 -3.837 0.310 1.00 0.00 H new ATOM 0 HA ARG A 364 8.624 -4.461 -2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 364 7.212 -6.255 -0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 364 7.800 -6.741 -1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 364 10.094 -6.471 -1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 364 9.648 -5.623 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 364 8.894 -7.575 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 364 8.606 -8.419 -0.278 1.00 0.00 H new ATOM 0 HE ARG A 364 11.407 -7.867 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 364 8.870 -9.836 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 364 9.984 -11.122 1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 364 12.831 -9.524 0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 364 12.217 -10.946 1.394 1.00 0.00 H new ATOM 357 N SER A 365 6.211 -4.974 -3.328 1.00 0.00 N ATOM 358 CA SER A 365 4.918 -4.805 -3.980 1.00 0.00 C ATOM 359 C SER A 365 3.833 -5.589 -3.247 1.00 0.00 C ATOM 360 O SER A 365 2.882 -5.011 -2.721 1.00 0.00 O ATOM 361 CB SER A 365 4.994 -5.261 -5.439 1.00 0.00 C ATOM 362 OG SER A 365 3.714 -5.247 -6.045 1.00 0.00 O ATOM 0 H SER A 365 6.856 -5.590 -3.823 1.00 0.00 H new ATOM 0 HA SER A 365 4.660 -3.746 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 365 5.669 -4.608 -5.993 1.00 0.00 H new ATOM 0 HB3 SER A 365 5.412 -6.267 -5.488 1.00 0.00 H new ATOM 0 HG SER A 365 3.790 -5.541 -6.977 1.00 0.00 H new ATOM 368 N ASP A 366 3.984 -6.909 -3.217 1.00 0.00 N ATOM 369 CA ASP A 366 3.019 -7.773 -2.548 1.00 0.00 C ATOM 370 C ASP A 366 2.626 -7.201 -1.190 1.00 0.00 C ATOM 371 O ASP A 366 1.466 -7.275 -0.787 1.00 0.00 O ATOM 372 CB ASP A 366 3.595 -9.179 -2.376 1.00 0.00 C ATOM 373 CG ASP A 366 2.759 -10.038 -1.447 1.00 0.00 C ATOM 374 OD1 ASP A 366 2.740 -9.753 -0.231 1.00 0.00 O ATOM 375 OD2 ASP A 366 2.123 -10.994 -1.937 1.00 0.00 O ATOM 0 H ASP A 366 4.765 -7.403 -3.648 1.00 0.00 H new ATOM 0 HA ASP A 366 2.126 -7.828 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 366 3.662 -9.662 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 366 4.610 -9.107 -1.985 1.00 0.00 H new ATOM 380 N GLU A 367 3.602 -6.631 -0.489 1.00 0.00 N ATOM 381 CA GLU A 367 3.358 -6.048 0.825 1.00 0.00 C ATOM 382 C GLU A 367 2.307 -4.945 0.744 1.00 0.00 C ATOM 383 O GLU A 367 1.430 -4.843 1.603 1.00 0.00 O ATOM 384 CB GLU A 367 4.657 -5.489 1.409 1.00 0.00 C ATOM 385 CG GLU A 367 5.639 -6.561 1.848 1.00 0.00 C ATOM 386 CD GLU A 367 6.820 -5.994 2.610 1.00 0.00 C ATOM 387 OE1 GLU A 367 7.829 -5.642 1.964 1.00 0.00 O ATOM 388 OE2 GLU A 367 6.737 -5.902 3.853 1.00 0.00 O ATOM 0 H GLU A 367 4.568 -6.561 -0.809 1.00 0.00 H new ATOM 0 HA GLU A 367 2.984 -6.835 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 367 5.136 -4.853 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 367 4.418 -4.856 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 367 5.122 -7.287 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 367 6.001 -7.098 0.971 1.00 0.00 H new ATOM 395 N LEU A 368 2.401 -4.121 -0.294 1.00 0.00 N ATOM 396 CA LEU A 368 1.460 -3.024 -0.488 1.00 0.00 C ATOM 397 C LEU A 368 0.122 -3.541 -1.009 1.00 0.00 C ATOM 398 O LEU A 368 -0.938 -3.142 -0.528 1.00 0.00 O ATOM 399 CB LEU A 368 2.037 -1.997 -1.463 1.00 0.00 C ATOM 400 CG LEU A 368 1.030 -1.049 -2.115 1.00 0.00 C ATOM 401 CD1 LEU A 368 0.692 0.098 -1.176 1.00 0.00 C ATOM 402 CD2 LEU A 368 1.572 -0.520 -3.435 1.00 0.00 C ATOM 0 H LEU A 368 3.120 -4.192 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 368 1.294 -2.546 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 368 2.778 -1.399 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 368 2.565 -2.532 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 368 0.115 -1.605 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 368 -0.026 0.762 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 368 0.260 -0.299 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 368 1.599 0.654 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 368 0.842 0.153 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 368 2.502 0.020 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 368 1.761 -1.354 -4.111 1.00 0.00 H new ATOM 414 N SER A 369 0.180 -4.431 -1.994 1.00 0.00 N ATOM 415 CA SER A 369 -1.026 -5.002 -2.581 1.00 0.00 C ATOM 416 C SER A 369 -1.896 -5.653 -1.510 1.00 0.00 C ATOM 417 O SER A 369 -3.099 -5.404 -1.436 1.00 0.00 O ATOM 418 CB SER A 369 -0.660 -6.030 -3.653 1.00 0.00 C ATOM 419 OG SER A 369 -1.817 -6.504 -4.321 1.00 0.00 O ATOM 0 H SER A 369 1.050 -4.772 -2.403 1.00 0.00 H new ATOM 0 HA SER A 369 -1.593 -4.194 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 369 0.022 -5.580 -4.375 1.00 0.00 H new ATOM 0 HB3 SER A 369 -0.133 -6.866 -3.194 1.00 0.00 H new ATOM 0 HG SER A 369 -1.556 -7.159 -5.002 1.00 0.00 H new ATOM 425 N ARG A 370 -1.278 -6.490 -0.683 1.00 0.00 N ATOM 426 CA ARG A 370 -1.994 -7.179 0.383 1.00 0.00 C ATOM 427 C ARG A 370 -2.706 -6.182 1.293 1.00 0.00 C ATOM 428 O ARG A 370 -3.732 -6.498 1.896 1.00 0.00 O ATOM 429 CB ARG A 370 -1.029 -8.036 1.204 1.00 0.00 C ATOM 430 CG ARG A 370 0.007 -7.225 1.966 1.00 0.00 C ATOM 431 CD ARG A 370 0.545 -7.993 3.163 1.00 0.00 C ATOM 432 NE ARG A 370 1.187 -7.112 4.135 1.00 0.00 N ATOM 433 CZ ARG A 370 0.516 -6.360 5.001 1.00 0.00 C ATOM 434 NH1 ARG A 370 -0.809 -6.382 5.015 1.00 0.00 N ATOM 435 NH2 ARG A 370 1.172 -5.584 5.854 1.00 0.00 N ATOM 0 H ARG A 370 -0.283 -6.707 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 370 -2.743 -7.825 -0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 370 -1.601 -8.636 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 370 -0.517 -8.731 0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 370 0.829 -6.965 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 370 -0.438 -6.289 2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 370 -0.271 -8.531 3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 370 1.262 -8.740 2.822 1.00 0.00 H new ATOM 0 HE ARG A 370 2.206 -7.072 4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 370 -1.316 -6.977 4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 370 -1.322 -5.804 5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 370 2.192 -5.564 5.845 1.00 0.00 H new ATOM 0 HH22 ARG A 370 0.657 -5.007 6.519 1.00 0.00 H new ATOM 449 N HIS A 371 -2.155 -4.976 1.386 1.00 0.00 N ATOM 450 CA HIS A 371 -2.737 -3.932 2.222 1.00 0.00 C ATOM 451 C HIS A 371 -3.924 -3.275 1.523 1.00 0.00 C ATOM 452 O HIS A 371 -4.951 -3.004 2.146 1.00 0.00 O ATOM 453 CB HIS A 371 -1.685 -2.877 2.564 1.00 0.00 C ATOM 454 CG HIS A 371 -2.267 -1.550 2.942 1.00 0.00 C ATOM 455 ND1 HIS A 371 -2.964 -1.340 4.113 1.00 0.00 N ATOM 456 CD2 HIS A 371 -2.252 -0.360 2.296 1.00 0.00 C ATOM 457 CE1 HIS A 371 -3.354 -0.079 4.170 1.00 0.00 C ATOM 458 NE2 HIS A 371 -2.934 0.537 3.080 1.00 0.00 N ATOM 0 H HIS A 371 -1.307 -4.698 0.893 1.00 0.00 H new ATOM 0 HA HIS A 371 -3.090 -4.394 3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 371 -1.070 -3.242 3.387 1.00 0.00 H new ATOM 0 HB3 HIS A 371 -1.024 -2.744 1.707 1.00 0.00 H new ATOM 0 HD1 HIS A 371 -3.149 -2.047 4.824 1.00 0.00 H new ATOM 0 HD2 HIS A 371 -1.790 -0.155 1.342 1.00 0.00 H new ATOM 0 HE1 HIS A 371 -3.920 0.372 4.972 1.00 0.00 H new ATOM 466 N ARG A 372 -3.775 -3.022 0.227 1.00 0.00 N ATOM 467 CA ARG A 372 -4.834 -2.395 -0.555 1.00 0.00 C ATOM 468 C ARG A 372 -6.170 -3.094 -0.319 1.00 0.00 C ATOM 469 O ARG A 372 -7.233 -2.497 -0.496 1.00 0.00 O ATOM 470 CB ARG A 372 -4.485 -2.429 -2.044 1.00 0.00 C ATOM 471 CG ARG A 372 -3.253 -1.613 -2.399 1.00 0.00 C ATOM 472 CD ARG A 372 -3.587 -0.137 -2.553 1.00 0.00 C ATOM 473 NE ARG A 372 -4.008 0.189 -3.913 1.00 0.00 N ATOM 474 CZ ARG A 372 -3.174 0.255 -4.945 1.00 0.00 C ATOM 475 NH1 ARG A 372 -1.881 0.017 -4.773 1.00 0.00 N ATOM 476 NH2 ARG A 372 -3.633 0.558 -6.152 1.00 0.00 N ATOM 0 H ARG A 372 -2.932 -3.241 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.924 -1.358 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -4.325 -3.464 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -5.335 -2.056 -2.616 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -2.497 -1.737 -1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -2.822 -1.988 -3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -4.380 0.130 -1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -2.715 0.462 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 372 -4.997 0.376 -4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -1.524 -0.217 -3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -1.243 0.068 -5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -4.627 0.741 -6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -2.992 0.608 -6.944 1.00 0.00 H new ATOM 490 N ARG A 373 -6.108 -4.360 0.079 1.00 0.00 N ATOM 491 CA ARG A 373 -7.313 -5.139 0.338 1.00 0.00 C ATOM 492 C ARG A 373 -8.200 -4.445 1.366 1.00 0.00 C ATOM 493 O ARG A 373 -9.417 -4.366 1.199 1.00 0.00 O ATOM 494 CB ARG A 373 -6.943 -6.540 0.830 1.00 0.00 C ATOM 495 CG ARG A 373 -6.170 -7.360 -0.190 1.00 0.00 C ATOM 496 CD ARG A 373 -6.197 -8.842 0.150 1.00 0.00 C ATOM 497 NE ARG A 373 -5.498 -9.129 1.400 1.00 0.00 N ATOM 498 CZ ARG A 373 -5.495 -10.323 1.983 1.00 0.00 C ATOM 499 NH1 ARG A 373 -6.149 -11.335 1.431 1.00 0.00 N ATOM 500 NH2 ARG A 373 -4.835 -10.506 3.119 1.00 0.00 N ATOM 0 H ARG A 373 -5.237 -4.868 0.229 1.00 0.00 H new ATOM 0 HA ARG A 373 -7.869 -5.223 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 373 -6.347 -6.451 1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 373 -7.855 -7.074 1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 373 -6.596 -7.205 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 373 -5.137 -7.014 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 373 -7.231 -9.177 0.228 1.00 0.00 H new ATOM 0 HD3 ARG A 373 -5.738 -9.408 -0.660 1.00 0.00 H new ATOM 0 HE ARG A 373 -4.984 -8.371 1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 373 -6.656 -11.198 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 373 -6.145 -12.251 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 373 -4.329 -9.730 3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 373 -4.833 -11.423 3.566 1.00 0.00 H new ATOM 514 N SER A 374 -7.582 -3.943 2.431 1.00 0.00 N ATOM 515 CA SER A 374 -8.315 -3.259 3.489 1.00 0.00 C ATOM 516 C SER A 374 -9.303 -2.253 2.903 1.00 0.00 C ATOM 517 O SER A 374 -10.389 -2.046 3.444 1.00 0.00 O ATOM 518 CB SER A 374 -7.345 -2.546 4.433 1.00 0.00 C ATOM 519 OG SER A 374 -8.039 -1.905 5.489 1.00 0.00 O ATOM 0 H SER A 374 -6.575 -3.998 2.583 1.00 0.00 H new ATOM 0 HA SER A 374 -8.874 -4.007 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 374 -6.637 -3.266 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 374 -6.765 -1.810 3.876 1.00 0.00 H new ATOM 0 HG SER A 374 -7.397 -1.458 6.079 1.00 0.00 H new ATOM 525 N HIS A 375 -8.916 -1.632 1.794 1.00 0.00 N ATOM 526 CA HIS A 375 -9.766 -0.648 1.132 1.00 0.00 C ATOM 527 C HIS A 375 -10.597 -1.301 0.031 1.00 0.00 C ATOM 528 O HIS A 375 -10.233 -2.353 -0.493 1.00 0.00 O ATOM 529 CB HIS A 375 -8.917 0.480 0.546 1.00 0.00 C ATOM 530 CG HIS A 375 -7.858 0.980 1.480 1.00 0.00 C ATOM 531 ND1 HIS A 375 -8.130 1.793 2.560 1.00 0.00 N ATOM 532 CD2 HIS A 375 -6.520 0.776 1.493 1.00 0.00 C ATOM 533 CE1 HIS A 375 -7.005 2.070 3.195 1.00 0.00 C ATOM 534 NE2 HIS A 375 -6.013 1.464 2.568 1.00 0.00 N ATOM 0 H HIS A 375 -8.020 -1.792 1.334 1.00 0.00 H new ATOM 0 HA HIS A 375 -10.445 -0.231 1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 375 -8.444 0.129 -0.371 1.00 0.00 H new ATOM 0 HB3 HIS A 375 -9.569 1.309 0.272 1.00 0.00 H new ATOM 0 HD1 HIS A 375 -9.056 2.128 2.827 1.00 0.00 H new ATOM 0 HD2 HIS A 375 -5.956 0.182 0.789 1.00 0.00 H new ATOM 0 HE1 HIS A 375 -6.912 2.687 4.077 1.00 0.00 H new ATOM 542 N SER A 376 -11.714 -0.669 -0.314 1.00 0.00 N ATOM 543 CA SER A 376 -12.598 -1.190 -1.349 1.00 0.00 C ATOM 544 C SER A 376 -12.121 -0.767 -2.735 1.00 0.00 C ATOM 545 O SER A 376 -12.888 -0.227 -3.531 1.00 0.00 O ATOM 546 CB SER A 376 -14.030 -0.702 -1.120 1.00 0.00 C ATOM 547 OG SER A 376 -14.081 0.712 -1.043 1.00 0.00 O ATOM 0 H SER A 376 -12.028 0.205 0.108 1.00 0.00 H new ATOM 0 HA SER A 376 -12.579 -2.278 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A 376 -14.670 -1.048 -1.932 1.00 0.00 H new ATOM 0 HB3 SER A 376 -14.422 -1.134 -0.199 1.00 0.00 H new ATOM 0 HG SER A 376 -15.007 0.999 -0.898 1.00 0.00 H new ATOM 553 N GLY A 377 -10.846 -1.018 -3.017 1.00 0.00 N ATOM 554 CA GLY A 377 -10.286 -0.657 -4.306 1.00 0.00 C ATOM 555 C GLY A 377 -10.350 -1.796 -5.305 1.00 0.00 C ATOM 556 O GLY A 377 -11.425 -2.323 -5.588 1.00 0.00 O ATOM 0 H GLY A 377 -10.191 -1.465 -2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -10.824 0.203 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -9.248 -0.350 -4.175 1.00 0.00 H new ATOM 560 N VAL A 378 -9.194 -2.175 -5.842 1.00 0.00 N ATOM 561 CA VAL A 378 -9.123 -3.258 -6.815 1.00 0.00 C ATOM 562 C VAL A 378 -9.594 -4.575 -6.208 1.00 0.00 C ATOM 563 O VAL A 378 -9.171 -4.955 -5.116 1.00 0.00 O ATOM 564 CB VAL A 378 -7.690 -3.437 -7.352 1.00 0.00 C ATOM 565 CG1 VAL A 378 -7.625 -4.606 -8.323 1.00 0.00 C ATOM 566 CG2 VAL A 378 -7.206 -2.156 -8.014 1.00 0.00 C ATOM 0 H VAL A 378 -8.295 -1.748 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 378 -9.781 -2.985 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 378 -7.031 -3.657 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 378 -6.605 -4.717 -8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 378 -7.928 -5.520 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 378 -8.296 -4.420 -9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 378 -6.192 -2.300 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 378 -7.866 -1.903 -8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 378 -7.212 -1.345 -7.286 1.00 0.00 H new ATOM 576 N LYS A 379 -10.474 -5.268 -6.923 1.00 0.00 N ATOM 577 CA LYS A 379 -11.003 -6.544 -6.457 1.00 0.00 C ATOM 578 C LYS A 379 -10.937 -7.596 -7.560 1.00 0.00 C ATOM 579 O LYS A 379 -11.196 -7.319 -8.731 1.00 0.00 O ATOM 580 CB LYS A 379 -12.449 -6.378 -5.983 1.00 0.00 C ATOM 581 CG LYS A 379 -12.859 -7.382 -4.919 1.00 0.00 C ATOM 582 CD LYS A 379 -14.153 -6.972 -4.236 1.00 0.00 C ATOM 583 CE LYS A 379 -13.919 -5.870 -3.213 1.00 0.00 C ATOM 584 NZ LYS A 379 -15.199 -5.326 -2.681 1.00 0.00 N ATOM 0 H LYS A 379 -10.836 -4.967 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 379 -10.389 -6.879 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 379 -12.580 -5.370 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 379 -13.117 -6.475 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 379 -12.982 -8.365 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 379 -12.066 -7.471 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 379 -14.868 -6.629 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 379 -14.596 -7.838 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 379 -13.320 -6.260 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 379 -13.345 -5.065 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 379 -14.997 -4.578 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 379 -15.760 -4.931 -3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 379 -15.736 -6.089 -2.221 1.00 0.00 H new ATOM 598 N PRO A 380 -10.583 -8.833 -7.179 1.00 0.00 N ATOM 599 CA PRO A 380 -10.477 -9.951 -8.121 1.00 0.00 C ATOM 600 C PRO A 380 -11.837 -10.396 -8.648 1.00 0.00 C ATOM 601 O PRO A 380 -11.954 -10.851 -9.786 1.00 0.00 O ATOM 602 CB PRO A 380 -9.838 -11.061 -7.283 1.00 0.00 C ATOM 603 CG PRO A 380 -10.209 -10.735 -5.877 1.00 0.00 C ATOM 604 CD PRO A 380 -10.260 -9.234 -5.800 1.00 0.00 C ATOM 0 HA PRO A 380 -9.903 -9.684 -9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 380 -10.213 -12.042 -7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 380 -8.756 -11.082 -7.412 1.00 0.00 H new ATOM 0 HG2 PRO A 380 -11.173 -11.172 -5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 380 -9.477 -11.137 -5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 380 -11.018 -8.893 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 380 -9.308 -8.816 -5.472 1.00 0.00 H new ATOM 612 N SER A 381 -12.862 -10.263 -7.813 1.00 0.00 N ATOM 613 CA SER A 381 -14.214 -10.655 -8.194 1.00 0.00 C ATOM 614 C SER A 381 -14.232 -12.076 -8.749 1.00 0.00 C ATOM 615 O SER A 381 -14.918 -12.363 -9.729 1.00 0.00 O ATOM 616 CB SER A 381 -14.776 -9.683 -9.232 1.00 0.00 C ATOM 617 OG SER A 381 -14.953 -8.390 -8.678 1.00 0.00 O ATOM 0 H SER A 381 -12.782 -9.887 -6.868 1.00 0.00 H new ATOM 0 HA SER A 381 -14.839 -10.624 -7.302 1.00 0.00 H new ATOM 0 HB2 SER A 381 -14.100 -9.627 -10.085 1.00 0.00 H new ATOM 0 HB3 SER A 381 -15.730 -10.056 -9.605 1.00 0.00 H new ATOM 0 HG SER A 381 -15.312 -7.787 -9.362 1.00 0.00 H new ATOM 623 N GLY A 382 -13.470 -12.962 -8.114 1.00 0.00 N ATOM 624 CA GLY A 382 -13.412 -14.343 -8.558 1.00 0.00 C ATOM 625 C GLY A 382 -14.478 -15.205 -7.913 1.00 0.00 C ATOM 626 O GLY A 382 -14.934 -14.938 -6.801 1.00 0.00 O ATOM 0 H GLY A 382 -12.892 -12.748 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -13.527 -14.378 -9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -12.429 -14.754 -8.329 1.00 0.00 H new ATOM 630 N PRO A 383 -14.894 -16.266 -8.619 1.00 0.00 N ATOM 631 CA PRO A 383 -15.920 -17.191 -8.129 1.00 0.00 C ATOM 632 C PRO A 383 -15.425 -18.039 -6.962 1.00 0.00 C ATOM 633 O PRO A 383 -14.640 -18.969 -7.146 1.00 0.00 O ATOM 634 CB PRO A 383 -16.212 -18.074 -9.345 1.00 0.00 C ATOM 635 CG PRO A 383 -14.967 -18.020 -10.160 1.00 0.00 C ATOM 636 CD PRO A 383 -14.395 -16.645 -9.952 1.00 0.00 C ATOM 0 HA PRO A 383 -16.795 -16.665 -7.748 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -16.445 -19.096 -9.045 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -17.069 -17.703 -9.907 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -14.261 -18.788 -9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -15.182 -18.198 -11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -13.306 -16.654 -9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -14.732 -15.949 -10.720 1.00 0.00 H new ATOM 644 N SER A 384 -15.890 -17.712 -5.760 1.00 0.00 N ATOM 645 CA SER A 384 -15.492 -18.442 -4.562 1.00 0.00 C ATOM 646 C SER A 384 -16.660 -19.250 -4.005 1.00 0.00 C ATOM 647 O SER A 384 -17.823 -18.909 -4.219 1.00 0.00 O ATOM 648 CB SER A 384 -14.974 -17.473 -3.497 1.00 0.00 C ATOM 649 OG SER A 384 -13.632 -17.100 -3.757 1.00 0.00 O ATOM 0 H SER A 384 -16.542 -16.947 -5.590 1.00 0.00 H new ATOM 0 HA SER A 384 -14.693 -19.131 -4.835 1.00 0.00 H new ATOM 0 HB2 SER A 384 -15.604 -16.584 -3.473 1.00 0.00 H new ATOM 0 HB3 SER A 384 -15.042 -17.938 -2.514 1.00 0.00 H new ATOM 0 HG SER A 384 -13.325 -16.479 -3.064 1.00 0.00 H new ATOM 655 N SER A 385 -16.341 -20.323 -3.288 1.00 0.00 N ATOM 656 CA SER A 385 -17.362 -21.183 -2.703 1.00 0.00 C ATOM 657 C SER A 385 -17.093 -21.415 -1.219 1.00 0.00 C ATOM 658 O SER A 385 -15.976 -21.218 -0.742 1.00 0.00 O ATOM 659 CB SER A 385 -17.414 -22.523 -3.439 1.00 0.00 C ATOM 660 OG SER A 385 -18.613 -23.219 -3.148 1.00 0.00 O ATOM 0 H SER A 385 -15.383 -20.617 -3.098 1.00 0.00 H new ATOM 0 HA SER A 385 -18.325 -20.683 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 385 -17.339 -22.354 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 385 -16.557 -23.133 -3.152 1.00 0.00 H new ATOM 0 HG SER A 385 -18.622 -24.071 -3.632 1.00 0.00 H new ATOM 666 N GLY A 386 -18.125 -21.836 -0.495 1.00 0.00 N ATOM 667 CA GLY A 386 -17.980 -22.088 0.927 1.00 0.00 C ATOM 668 C GLY A 386 -17.629 -20.835 1.705 1.00 0.00 C ATOM 669 O GLY A 386 -16.717 -20.845 2.531 1.00 0.00 O ATOM 0 H GLY A 386 -19.059 -22.007 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 386 -18.909 -22.505 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 386 -17.204 -22.838 1.083 1.00 0.00 H new TER 673 GLY A 386 HETATM 674 ZN ZN A 200 -4.059 2.074 2.486 1.00 0.00 ZN