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 Set 1.1: A 381 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 385 SER OG : rot 180:sc= 0 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 16:sc= 0.402 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 -62:sc= 0.8 USER MOD Single : A 365 SER OG : rot 180:sc= -0.264 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 39:sc= 0.525 USER MOD Single : A 379 LYS NZ :NH3+ -164:sc= -0.0123 (180deg=-0.185) USER MOD Single : A 384 SER OG : rot 180:sc= -0.293 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 339 11.606 3.209 20.849 1.00 0.00 N ATOM 2 CA GLY A 339 12.594 3.347 21.903 1.00 0.00 C ATOM 3 C GLY A 339 13.516 4.530 21.682 1.00 0.00 C ATOM 4 O GLY A 339 13.059 5.664 21.541 1.00 0.00 O ATOM 0 HA2 GLY A 339 12.086 3.460 22.861 1.00 0.00 H new ATOM 0 HA3 GLY A 339 13.187 2.434 21.963 1.00 0.00 H new ATOM 8 N SER A 340 14.818 4.266 21.654 1.00 0.00 N ATOM 9 CA SER A 340 15.807 5.319 21.455 1.00 0.00 C ATOM 10 C SER A 340 16.506 5.160 20.108 1.00 0.00 C ATOM 11 O SER A 340 16.548 6.092 19.305 1.00 0.00 O ATOM 12 CB SER A 340 16.840 5.298 22.583 1.00 0.00 C ATOM 13 OG SER A 340 16.267 5.724 23.807 1.00 0.00 O ATOM 0 H SER A 340 15.213 3.332 21.767 1.00 0.00 H new ATOM 0 HA SER A 340 15.288 6.277 21.465 1.00 0.00 H new ATOM 0 HB2 SER A 340 17.239 4.290 22.696 1.00 0.00 H new ATOM 0 HB3 SER A 340 17.678 5.946 22.325 1.00 0.00 H new ATOM 0 HG SER A 340 16.947 5.700 24.512 1.00 0.00 H new ATOM 19 N SER A 341 17.052 3.973 19.868 1.00 0.00 N ATOM 20 CA SER A 341 17.753 3.691 18.620 1.00 0.00 C ATOM 21 C SER A 341 16.812 3.825 17.427 1.00 0.00 C ATOM 22 O SER A 341 15.783 3.155 17.355 1.00 0.00 O ATOM 23 CB SER A 341 18.354 2.285 18.654 1.00 0.00 C ATOM 24 OG SER A 341 19.473 2.188 17.789 1.00 0.00 O ATOM 0 H SER A 341 17.023 3.190 20.521 1.00 0.00 H new ATOM 0 HA SER A 341 18.557 4.419 18.511 1.00 0.00 H new ATOM 0 HB2 SER A 341 18.655 2.039 19.672 1.00 0.00 H new ATOM 0 HB3 SER A 341 17.599 1.556 18.360 1.00 0.00 H new ATOM 0 HG SER A 341 19.840 1.280 17.830 1.00 0.00 H new ATOM 30 N GLY A 342 17.173 4.698 16.491 1.00 0.00 N ATOM 31 CA GLY A 342 16.352 4.905 15.313 1.00 0.00 C ATOM 32 C GLY A 342 16.716 3.967 14.179 1.00 0.00 C ATOM 33 O GLY A 342 17.326 2.921 14.402 1.00 0.00 O ATOM 0 H GLY A 342 18.020 5.265 16.528 1.00 0.00 H new ATOM 0 HA2 GLY A 342 15.304 4.763 15.575 1.00 0.00 H new ATOM 0 HA3 GLY A 342 16.459 5.936 14.976 1.00 0.00 H new ATOM 37 N SER A 343 16.339 4.340 12.961 1.00 0.00 N ATOM 38 CA SER A 343 16.625 3.521 11.788 1.00 0.00 C ATOM 39 C SER A 343 17.625 4.217 10.870 1.00 0.00 C ATOM 40 O SER A 343 17.426 5.365 10.474 1.00 0.00 O ATOM 41 CB SER A 343 15.334 3.221 11.022 1.00 0.00 C ATOM 42 OG SER A 343 14.852 4.380 10.364 1.00 0.00 O ATOM 0 H SER A 343 15.835 5.204 12.760 1.00 0.00 H new ATOM 0 HA SER A 343 17.063 2.583 12.128 1.00 0.00 H new ATOM 0 HB2 SER A 343 15.515 2.433 10.291 1.00 0.00 H new ATOM 0 HB3 SER A 343 14.576 2.848 11.711 1.00 0.00 H new ATOM 0 HG SER A 343 15.561 5.056 10.331 1.00 0.00 H new ATOM 48 N SER A 344 18.701 3.512 10.535 1.00 0.00 N ATOM 49 CA SER A 344 19.735 4.062 9.667 1.00 0.00 C ATOM 50 C SER A 344 20.040 3.110 8.514 1.00 0.00 C ATOM 51 O SER A 344 20.123 3.523 7.358 1.00 0.00 O ATOM 52 CB SER A 344 21.010 4.337 10.467 1.00 0.00 C ATOM 53 OG SER A 344 22.101 4.618 9.608 1.00 0.00 O ATOM 0 H SER A 344 18.879 2.559 10.852 1.00 0.00 H new ATOM 0 HA SER A 344 19.365 5.000 9.253 1.00 0.00 H new ATOM 0 HB2 SER A 344 20.846 5.179 11.139 1.00 0.00 H new ATOM 0 HB3 SER A 344 21.246 3.474 11.089 1.00 0.00 H new ATOM 0 HG SER A 344 22.903 4.792 10.144 1.00 0.00 H new ATOM 59 N GLY A 345 20.206 1.831 8.840 1.00 0.00 N ATOM 60 CA GLY A 345 20.500 0.839 7.822 1.00 0.00 C ATOM 61 C GLY A 345 19.389 0.712 6.798 1.00 0.00 C ATOM 62 O GLY A 345 19.590 0.992 5.615 1.00 0.00 O ATOM 0 H GLY A 345 20.142 1.465 9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 345 21.428 1.106 7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 345 20.664 -0.128 8.298 1.00 0.00 H new ATOM 66 N THR A 346 18.214 0.288 7.251 1.00 0.00 N ATOM 67 CA THR A 346 17.068 0.122 6.366 1.00 0.00 C ATOM 68 C THR A 346 16.027 1.210 6.603 1.00 0.00 C ATOM 69 O THR A 346 15.992 1.828 7.666 1.00 0.00 O ATOM 70 CB THR A 346 16.406 -1.256 6.556 1.00 0.00 C ATOM 71 OG1 THR A 346 15.954 -1.400 7.907 1.00 0.00 O ATOM 72 CG2 THR A 346 17.380 -2.375 6.221 1.00 0.00 C ATOM 0 H THR A 346 18.031 0.053 8.227 1.00 0.00 H new ATOM 0 HA THR A 346 17.444 0.199 5.346 1.00 0.00 H new ATOM 0 HB THR A 346 15.554 -1.322 5.879 1.00 0.00 H new ATOM 0 HG1 THR A 346 15.533 -2.278 8.019 1.00 0.00 H new ATOM 0 HG21 THR A 346 16.890 -3.338 6.363 1.00 0.00 H new ATOM 0 HG22 THR A 346 17.701 -2.280 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 346 18.248 -2.310 6.876 1.00 0.00 H new ATOM 80 N GLY A 347 15.179 1.439 5.605 1.00 0.00 N ATOM 81 CA GLY A 347 14.148 2.454 5.726 1.00 0.00 C ATOM 82 C GLY A 347 13.784 3.071 4.391 1.00 0.00 C ATOM 83 O GLY A 347 14.112 4.227 4.124 1.00 0.00 O ATOM 0 H GLY A 347 15.187 0.940 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 347 13.258 2.012 6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 347 14.490 3.236 6.403 1.00 0.00 H new ATOM 87 N GLU A 348 13.104 2.299 3.549 1.00 0.00 N ATOM 88 CA GLU A 348 12.697 2.778 2.233 1.00 0.00 C ATOM 89 C GLU A 348 11.512 1.975 1.704 1.00 0.00 C ATOM 90 O GLU A 348 11.601 0.760 1.524 1.00 0.00 O ATOM 91 CB GLU A 348 13.866 2.690 1.250 1.00 0.00 C ATOM 92 CG GLU A 348 14.268 1.265 0.908 1.00 0.00 C ATOM 93 CD GLU A 348 15.581 1.194 0.153 1.00 0.00 C ATOM 94 OE1 GLU A 348 16.640 1.383 0.786 1.00 0.00 O ATOM 95 OE2 GLU A 348 15.549 0.950 -1.072 1.00 0.00 O ATOM 0 H GLU A 348 12.824 1.340 3.754 1.00 0.00 H new ATOM 0 HA GLU A 348 12.392 3.820 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 348 13.598 3.213 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 348 14.726 3.209 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 348 14.350 0.684 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 348 13.483 0.804 0.308 1.00 0.00 H new ATOM 102 N LYS A 349 10.402 2.662 1.458 1.00 0.00 N ATOM 103 CA LYS A 349 9.198 2.016 0.949 1.00 0.00 C ATOM 104 C LYS A 349 8.586 2.824 -0.190 1.00 0.00 C ATOM 105 O LYS A 349 7.787 3.737 0.023 1.00 0.00 O ATOM 106 CB LYS A 349 8.174 1.843 2.073 1.00 0.00 C ATOM 107 CG LYS A 349 8.759 1.252 3.344 1.00 0.00 C ATOM 108 CD LYS A 349 7.721 1.171 4.451 1.00 0.00 C ATOM 109 CE LYS A 349 8.374 1.093 5.822 1.00 0.00 C ATOM 110 NZ LYS A 349 7.501 0.406 6.814 1.00 0.00 N ATOM 0 H LYS A 349 10.311 3.668 1.603 1.00 0.00 H new ATOM 0 HA LYS A 349 9.477 1.035 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 349 7.732 2.813 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 349 7.367 1.200 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 349 9.150 0.256 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 349 9.600 1.861 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 349 7.070 2.044 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 349 7.090 0.295 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 349 9.322 0.561 5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 349 8.601 2.099 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 7.982 0.373 7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 6.606 0.927 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 7.305 -0.563 6.491 1.00 0.00 H new ATOM 124 N PRO A 350 8.967 2.483 -1.430 1.00 0.00 N ATOM 125 CA PRO A 350 8.466 3.164 -2.628 1.00 0.00 C ATOM 126 C PRO A 350 6.995 2.864 -2.892 1.00 0.00 C ATOM 127 O PRO A 350 6.293 3.657 -3.521 1.00 0.00 O ATOM 128 CB PRO A 350 9.338 2.594 -3.750 1.00 0.00 C ATOM 129 CG PRO A 350 9.778 1.262 -3.249 1.00 0.00 C ATOM 130 CD PRO A 350 9.916 1.406 -1.758 1.00 0.00 C ATOM 0 HA PRO A 350 8.522 4.249 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 350 8.776 2.501 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 350 10.191 3.241 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 350 9.051 0.490 -3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 350 10.725 0.968 -3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 350 9.667 0.480 -1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 350 10.935 1.667 -1.472 1.00 0.00 H new ATOM 138 N PHE A 351 6.533 1.716 -2.409 1.00 0.00 N ATOM 139 CA PHE A 351 5.144 1.312 -2.593 1.00 0.00 C ATOM 140 C PHE A 351 4.235 2.016 -1.590 1.00 0.00 C ATOM 141 O PHE A 351 4.093 1.575 -0.450 1.00 0.00 O ATOM 142 CB PHE A 351 5.008 -0.205 -2.445 1.00 0.00 C ATOM 143 CG PHE A 351 5.836 -0.980 -3.430 1.00 0.00 C ATOM 144 CD1 PHE A 351 5.339 -1.277 -4.690 1.00 0.00 C ATOM 145 CD2 PHE A 351 7.109 -1.413 -3.097 1.00 0.00 C ATOM 146 CE1 PHE A 351 6.098 -1.990 -5.599 1.00 0.00 C ATOM 147 CE2 PHE A 351 7.872 -2.125 -4.003 1.00 0.00 C ATOM 148 CZ PHE A 351 7.366 -2.415 -5.254 1.00 0.00 C ATOM 0 H PHE A 351 7.100 1.048 -1.887 1.00 0.00 H new ATOM 0 HA PHE A 351 4.838 1.601 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 351 5.298 -0.491 -1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 351 3.961 -0.481 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 351 4.348 -0.948 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 351 7.510 -1.192 -2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 351 5.700 -2.214 -6.578 1.00 0.00 H new ATOM 0 HE2 PHE A 351 8.864 -2.455 -3.732 1.00 0.00 H new ATOM 0 HZ PHE A 351 7.961 -2.973 -5.962 1.00 0.00 H new ATOM 158 N ALA A 352 3.623 3.112 -2.024 1.00 0.00 N ATOM 159 CA ALA A 352 2.726 3.877 -1.165 1.00 0.00 C ATOM 160 C ALA A 352 1.271 3.672 -1.571 1.00 0.00 C ATOM 161 O ALA A 352 0.923 3.771 -2.748 1.00 0.00 O ATOM 162 CB ALA A 352 3.086 5.355 -1.210 1.00 0.00 C ATOM 0 H ALA A 352 3.731 3.491 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 352 2.845 3.516 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 352 2.409 5.914 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 352 4.111 5.491 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 352 2.997 5.720 -2.233 1.00 0.00 H new ATOM 168 N CYS A 353 0.423 3.385 -0.589 1.00 0.00 N ATOM 169 CA CYS A 353 -0.996 3.165 -0.843 1.00 0.00 C ATOM 170 C CYS A 353 -1.570 4.275 -1.719 1.00 0.00 C ATOM 171 O CYS A 353 -1.100 5.413 -1.688 1.00 0.00 O ATOM 172 CB CYS A 353 -1.766 3.091 0.477 1.00 0.00 C ATOM 173 SG CYS A 353 -3.567 2.903 0.277 1.00 0.00 S ATOM 0 H CYS A 353 0.694 3.299 0.391 1.00 0.00 H new ATOM 0 HA CYS A 353 -1.103 2.218 -1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 353 -1.386 2.252 1.060 1.00 0.00 H new ATOM 0 HB3 CYS A 353 -1.567 3.995 1.052 1.00 0.00 H new ATOM 178 N THR A 354 -2.592 3.937 -2.500 1.00 0.00 N ATOM 179 CA THR A 354 -3.230 4.903 -3.384 1.00 0.00 C ATOM 180 C THR A 354 -4.466 5.513 -2.732 1.00 0.00 C ATOM 181 O THR A 354 -4.812 6.665 -2.994 1.00 0.00 O ATOM 182 CB THR A 354 -3.637 4.256 -4.722 1.00 0.00 C ATOM 183 OG1 THR A 354 -4.476 3.121 -4.483 1.00 0.00 O ATOM 184 CG2 THR A 354 -2.409 3.829 -5.512 1.00 0.00 C ATOM 0 H THR A 354 -2.995 3.001 -2.538 1.00 0.00 H new ATOM 0 HA THR A 354 -2.498 5.688 -3.575 1.00 0.00 H new ATOM 0 HB THR A 354 -4.186 4.995 -5.306 1.00 0.00 H new ATOM 0 HG1 THR A 354 -4.731 2.717 -5.339 1.00 0.00 H new ATOM 0 HG21 THR A 354 -2.721 3.375 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 354 -1.788 4.701 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 354 -1.837 3.105 -4.932 1.00 0.00 H new ATOM 192 N TRP A 355 -5.125 4.735 -1.881 1.00 0.00 N ATOM 193 CA TRP A 355 -6.322 5.200 -1.191 1.00 0.00 C ATOM 194 C TRP A 355 -6.101 6.584 -0.590 1.00 0.00 C ATOM 195 O TRP A 355 -5.032 6.894 -0.064 1.00 0.00 O ATOM 196 CB TRP A 355 -6.720 4.212 -0.093 1.00 0.00 C ATOM 197 CG TRP A 355 -7.942 4.628 0.667 1.00 0.00 C ATOM 198 CD1 TRP A 355 -7.989 5.453 1.755 1.00 0.00 C ATOM 199 CD2 TRP A 355 -9.293 4.239 0.399 1.00 0.00 C ATOM 200 NE1 TRP A 355 -9.288 5.600 2.179 1.00 0.00 N ATOM 201 CE2 TRP A 355 -10.107 4.866 1.363 1.00 0.00 C ATOM 202 CE3 TRP A 355 -9.895 3.424 -0.564 1.00 0.00 C ATOM 203 CZ2 TRP A 355 -11.489 4.700 1.391 1.00 0.00 C ATOM 204 CZ3 TRP A 355 -11.267 3.260 -0.534 1.00 0.00 C ATOM 205 CH2 TRP A 355 -12.052 3.896 0.437 1.00 0.00 C ATOM 0 H TRP A 355 -4.851 3.780 -1.652 1.00 0.00 H new ATOM 0 HA TRP A 355 -7.129 5.265 -1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 355 -6.895 3.234 -0.541 1.00 0.00 H new ATOM 0 HB3 TRP A 355 -5.889 4.100 0.603 1.00 0.00 H new ATOM 0 HD1 TRP A 355 -7.131 5.921 2.215 1.00 0.00 H new ATOM 0 HE1 TRP A 355 -9.593 6.164 2.972 1.00 0.00 H new ATOM 0 HE3 TRP A 355 -9.299 2.931 -1.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 355 -12.096 5.188 2.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 355 -11.742 2.631 -1.272 1.00 0.00 H new ATOM 0 HH2 TRP A 355 -13.122 3.749 0.433 1.00 0.00 H new ATOM 216 N PRO A 356 -7.133 7.436 -0.668 1.00 0.00 N ATOM 217 CA PRO A 356 -7.075 8.801 -0.135 1.00 0.00 C ATOM 218 C PRO A 356 -7.041 8.828 1.389 1.00 0.00 C ATOM 219 O PRO A 356 -7.717 8.039 2.048 1.00 0.00 O ATOM 220 CB PRO A 356 -8.367 9.439 -0.653 1.00 0.00 C ATOM 221 CG PRO A 356 -9.297 8.294 -0.863 1.00 0.00 C ATOM 222 CD PRO A 356 -8.437 7.134 -1.281 1.00 0.00 C ATOM 0 HA PRO A 356 -6.170 9.323 -0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 356 -8.772 10.152 0.065 1.00 0.00 H new ATOM 0 HB3 PRO A 356 -8.195 9.985 -1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 356 -9.845 8.064 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 356 -10.037 8.527 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 356 -8.839 6.186 -0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 356 -8.363 7.059 -2.366 1.00 0.00 H new ATOM 230 N GLY A 357 -6.250 9.741 1.943 1.00 0.00 N ATOM 231 CA GLY A 357 -6.144 9.854 3.386 1.00 0.00 C ATOM 232 C GLY A 357 -5.180 8.844 3.977 1.00 0.00 C ATOM 233 O GLY A 357 -4.471 9.140 4.939 1.00 0.00 O ATOM 0 H GLY A 357 -5.680 10.405 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -5.815 10.860 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -7.129 9.716 3.832 1.00 0.00 H new ATOM 237 N CYS A 358 -5.153 7.647 3.401 1.00 0.00 N ATOM 238 CA CYS A 358 -4.271 6.588 3.876 1.00 0.00 C ATOM 239 C CYS A 358 -2.807 6.959 3.654 1.00 0.00 C ATOM 240 O CYS A 358 -2.476 7.693 2.724 1.00 0.00 O ATOM 241 CB CYS A 358 -4.589 5.272 3.164 1.00 0.00 C ATOM 242 SG CYS A 358 -3.666 3.838 3.805 1.00 0.00 S ATOM 0 H CYS A 358 -5.733 7.386 2.603 1.00 0.00 H new ATOM 0 HA CYS A 358 -4.438 6.463 4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 358 -5.657 5.072 3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 358 -4.373 5.385 2.102 1.00 0.00 H new ATOM 247 N GLY A 359 -1.935 6.445 4.516 1.00 0.00 N ATOM 248 CA GLY A 359 -0.517 6.733 4.397 1.00 0.00 C ATOM 249 C GLY A 359 0.348 5.535 4.735 1.00 0.00 C ATOM 250 O GLY A 359 1.324 5.656 5.476 1.00 0.00 O ATOM 0 H GLY A 359 -2.185 5.835 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 359 -0.300 7.059 3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.261 7.561 5.058 1.00 0.00 H new ATOM 254 N TRP A 360 -0.011 4.377 4.194 1.00 0.00 N ATOM 255 CA TRP A 360 0.740 3.152 4.444 1.00 0.00 C ATOM 256 C TRP A 360 1.690 2.850 3.291 1.00 0.00 C ATOM 257 O TRP A 360 1.284 2.833 2.129 1.00 0.00 O ATOM 258 CB TRP A 360 -0.217 1.977 4.654 1.00 0.00 C ATOM 259 CG TRP A 360 -0.638 1.801 6.082 1.00 0.00 C ATOM 260 CD1 TRP A 360 -1.809 2.219 6.648 1.00 0.00 C ATOM 261 CD2 TRP A 360 0.109 1.164 7.123 1.00 0.00 C ATOM 262 NE1 TRP A 360 -1.834 1.879 7.980 1.00 0.00 N ATOM 263 CE2 TRP A 360 -0.670 1.230 8.295 1.00 0.00 C ATOM 264 CE3 TRP A 360 1.359 0.541 7.180 1.00 0.00 C ATOM 265 CZ2 TRP A 360 -0.237 0.699 9.507 1.00 0.00 C ATOM 266 CZ3 TRP A 360 1.787 0.015 8.383 1.00 0.00 C ATOM 267 CH2 TRP A 360 0.991 0.095 9.534 1.00 0.00 C ATOM 0 H TRP A 360 -0.817 4.260 3.580 1.00 0.00 H new ATOM 0 HA TRP A 360 1.331 3.296 5.348 1.00 0.00 H new ATOM 0 HB2 TRP A 360 -1.103 2.125 4.037 1.00 0.00 H new ATOM 0 HB3 TRP A 360 0.262 1.061 4.309 1.00 0.00 H new ATOM 0 HD1 TRP A 360 -2.598 2.740 6.126 1.00 0.00 H new ATOM 0 HE1 TRP A 360 -2.596 2.078 8.628 1.00 0.00 H new ATOM 0 HE3 TRP A 360 1.979 0.472 6.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 360 -0.849 0.761 10.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 360 2.752 -0.467 8.438 1.00 0.00 H new ATOM 0 HH2 TRP A 360 1.353 -0.328 10.459 1.00 0.00 H new ATOM 278 N ARG A 361 2.955 2.611 3.619 1.00 0.00 N ATOM 279 CA ARG A 361 3.963 2.310 2.609 1.00 0.00 C ATOM 280 C ARG A 361 4.589 0.941 2.857 1.00 0.00 C ATOM 281 O ARG A 361 4.578 0.435 3.980 1.00 0.00 O ATOM 282 CB ARG A 361 5.049 3.387 2.606 1.00 0.00 C ATOM 283 CG ARG A 361 4.537 4.768 2.232 1.00 0.00 C ATOM 284 CD ARG A 361 5.631 5.617 1.605 1.00 0.00 C ATOM 285 NE ARG A 361 5.440 7.040 1.873 1.00 0.00 N ATOM 286 CZ ARG A 361 6.167 7.998 1.308 1.00 0.00 C ATOM 287 NH1 ARG A 361 7.127 7.687 0.448 1.00 0.00 N ATOM 288 NH2 ARG A 361 5.934 9.271 1.602 1.00 0.00 N ATOM 0 H ARG A 361 3.307 2.620 4.576 1.00 0.00 H new ATOM 0 HA ARG A 361 3.473 2.295 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 361 5.505 3.434 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 361 5.833 3.098 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 361 3.705 4.672 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 361 4.152 5.267 3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 361 6.600 5.302 1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 361 5.647 5.450 0.528 1.00 0.00 H new ATOM 0 HE ARG A 361 4.709 7.313 2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 361 7.309 6.710 0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 361 7.683 8.425 0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 361 5.196 9.515 2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 361 6.493 10.005 1.168 1.00 0.00 H new ATOM 302 N PHE A 362 5.135 0.346 1.802 1.00 0.00 N ATOM 303 CA PHE A 362 5.766 -0.965 1.904 1.00 0.00 C ATOM 304 C PHE A 362 7.027 -1.031 1.048 1.00 0.00 C ATOM 305 O PHE A 362 7.106 -0.404 -0.009 1.00 0.00 O ATOM 306 CB PHE A 362 4.786 -2.060 1.474 1.00 0.00 C ATOM 307 CG PHE A 362 3.437 -1.946 2.124 1.00 0.00 C ATOM 308 CD1 PHE A 362 2.479 -1.084 1.613 1.00 0.00 C ATOM 309 CD2 PHE A 362 3.126 -2.700 3.244 1.00 0.00 C ATOM 310 CE1 PHE A 362 1.236 -0.977 2.209 1.00 0.00 C ATOM 311 CE2 PHE A 362 1.885 -2.597 3.844 1.00 0.00 C ATOM 312 CZ PHE A 362 0.939 -1.735 3.325 1.00 0.00 C ATOM 0 H PHE A 362 5.153 0.751 0.866 1.00 0.00 H new ATOM 0 HA PHE A 362 6.047 -1.125 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 362 4.663 -2.022 0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 362 5.214 -3.034 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 362 2.706 -0.490 0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 362 3.862 -3.376 3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 362 0.498 -0.301 1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 362 1.656 -3.190 4.717 1.00 0.00 H new ATOM 0 HZ PHE A 362 -0.032 -1.654 3.791 1.00 0.00 H new ATOM 322 N SER A 363 8.011 -1.794 1.513 1.00 0.00 N ATOM 323 CA SER A 363 9.271 -1.938 0.793 1.00 0.00 C ATOM 324 C SER A 363 9.109 -2.869 -0.405 1.00 0.00 C ATOM 325 O SER A 363 9.890 -2.818 -1.355 1.00 0.00 O ATOM 326 CB SER A 363 10.357 -2.476 1.727 1.00 0.00 C ATOM 327 OG SER A 363 10.649 -1.548 2.757 1.00 0.00 O ATOM 0 H SER A 363 7.960 -2.322 2.384 1.00 0.00 H new ATOM 0 HA SER A 363 9.568 -0.954 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 363 10.030 -3.419 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 363 11.261 -2.686 1.156 1.00 0.00 H new ATOM 0 HG SER A 363 10.990 -0.718 2.363 1.00 0.00 H new ATOM 333 N ARG A 364 8.087 -3.718 -0.353 1.00 0.00 N ATOM 334 CA ARG A 364 7.822 -4.661 -1.432 1.00 0.00 C ATOM 335 C ARG A 364 6.454 -4.400 -2.058 1.00 0.00 C ATOM 336 O ARG A 364 5.602 -3.743 -1.460 1.00 0.00 O ATOM 337 CB ARG A 364 7.891 -6.097 -0.912 1.00 0.00 C ATOM 338 CG ARG A 364 9.292 -6.535 -0.518 1.00 0.00 C ATOM 339 CD ARG A 364 9.584 -6.222 0.941 1.00 0.00 C ATOM 340 NE ARG A 364 11.015 -6.067 1.192 1.00 0.00 N ATOM 341 CZ ARG A 364 11.545 -6.009 2.408 1.00 0.00 C ATOM 342 NH1 ARG A 364 10.768 -6.095 3.479 1.00 0.00 N ATOM 343 NH2 ARG A 364 12.856 -5.867 2.556 1.00 0.00 N ATOM 0 H ARG A 364 7.430 -3.772 0.425 1.00 0.00 H new ATOM 0 HA ARG A 364 8.586 -4.523 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 364 7.233 -6.194 -0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 364 7.511 -6.771 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 364 9.402 -7.606 -0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 364 10.023 -6.033 -1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 364 9.065 -5.307 1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 364 9.190 -7.021 1.569 1.00 0.00 H new ATOM 0 HE ARG A 364 11.641 -6.000 0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 364 9.760 -6.206 3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 364 11.178 -6.050 4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 364 13.458 -5.802 1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 364 13.262 -5.823 3.491 1.00 0.00 H new ATOM 357 N SER A 365 6.252 -4.920 -3.264 1.00 0.00 N ATOM 358 CA SER A 365 4.990 -4.741 -3.972 1.00 0.00 C ATOM 359 C SER A 365 3.878 -5.551 -3.314 1.00 0.00 C ATOM 360 O SER A 365 2.843 -5.006 -2.928 1.00 0.00 O ATOM 361 CB SER A 365 5.140 -5.155 -5.437 1.00 0.00 C ATOM 362 OG SER A 365 5.493 -6.523 -5.547 1.00 0.00 O ATOM 0 H SER A 365 6.946 -5.469 -3.771 1.00 0.00 H new ATOM 0 HA SER A 365 4.722 -3.685 -3.926 1.00 0.00 H new ATOM 0 HB2 SER A 365 4.205 -4.974 -5.967 1.00 0.00 H new ATOM 0 HB3 SER A 365 5.902 -4.540 -5.916 1.00 0.00 H new ATOM 0 HG SER A 365 5.581 -6.763 -6.493 1.00 0.00 H new ATOM 368 N ASP A 366 4.099 -6.855 -3.189 1.00 0.00 N ATOM 369 CA ASP A 366 3.116 -7.741 -2.576 1.00 0.00 C ATOM 370 C ASP A 366 2.641 -7.184 -1.238 1.00 0.00 C ATOM 371 O ASP A 366 1.456 -7.249 -0.914 1.00 0.00 O ATOM 372 CB ASP A 366 3.710 -9.137 -2.380 1.00 0.00 C ATOM 373 CG ASP A 366 4.456 -9.627 -3.605 1.00 0.00 C ATOM 374 OD1 ASP A 366 4.003 -9.336 -4.732 1.00 0.00 O ATOM 375 OD2 ASP A 366 5.494 -10.300 -3.437 1.00 0.00 O ATOM 0 H ASP A 366 4.950 -7.322 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 366 2.258 -7.810 -3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 366 4.388 -9.123 -1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 366 2.911 -9.838 -2.141 1.00 0.00 H new ATOM 380 N GLU A 367 3.574 -6.637 -0.465 1.00 0.00 N ATOM 381 CA GLU A 367 3.250 -6.070 0.839 1.00 0.00 C ATOM 382 C GLU A 367 2.232 -4.942 0.703 1.00 0.00 C ATOM 383 O GLU A 367 1.396 -4.735 1.584 1.00 0.00 O ATOM 384 CB GLU A 367 4.516 -5.551 1.523 1.00 0.00 C ATOM 385 CG GLU A 367 5.384 -6.650 2.112 1.00 0.00 C ATOM 386 CD GLU A 367 5.012 -6.983 3.544 1.00 0.00 C ATOM 387 OE1 GLU A 367 4.482 -6.091 4.241 1.00 0.00 O ATOM 388 OE2 GLU A 367 5.250 -8.133 3.968 1.00 0.00 O ATOM 0 H GLU A 367 4.560 -6.574 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 367 2.813 -6.858 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 367 5.103 -4.984 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 367 4.233 -4.859 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 367 5.294 -7.547 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 367 6.429 -6.342 2.074 1.00 0.00 H new ATOM 395 N LEU A 368 2.310 -4.213 -0.405 1.00 0.00 N ATOM 396 CA LEU A 368 1.396 -3.104 -0.657 1.00 0.00 C ATOM 397 C LEU A 368 0.068 -3.608 -1.212 1.00 0.00 C ATOM 398 O LEU A 368 -1.000 -3.145 -0.811 1.00 0.00 O ATOM 399 CB LEU A 368 2.027 -2.110 -1.634 1.00 0.00 C ATOM 400 CG LEU A 368 1.059 -1.163 -2.345 1.00 0.00 C ATOM 401 CD1 LEU A 368 0.655 -0.022 -1.424 1.00 0.00 C ATOM 402 CD2 LEU A 368 1.685 -0.623 -3.623 1.00 0.00 C ATOM 0 H LEU A 368 2.996 -4.370 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 368 1.204 -2.601 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 368 2.757 -1.510 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 368 2.575 -2.672 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 368 0.162 -1.723 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 368 -0.034 0.641 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 368 0.167 -0.426 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 368 1.542 0.537 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 368 0.983 0.049 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 368 2.598 -0.079 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 368 1.923 -1.452 -4.290 1.00 0.00 H new ATOM 414 N SER A 369 0.142 -4.561 -2.136 1.00 0.00 N ATOM 415 CA SER A 369 -1.054 -5.127 -2.748 1.00 0.00 C ATOM 416 C SER A 369 -1.950 -5.771 -1.694 1.00 0.00 C ATOM 417 O SER A 369 -3.162 -5.554 -1.677 1.00 0.00 O ATOM 418 CB SER A 369 -0.670 -6.161 -3.808 1.00 0.00 C ATOM 419 OG SER A 369 -1.822 -6.757 -4.380 1.00 0.00 O ATOM 0 H SER A 369 1.018 -4.957 -2.477 1.00 0.00 H new ATOM 0 HA SER A 369 -1.607 -4.317 -3.225 1.00 0.00 H new ATOM 0 HB2 SER A 369 -0.078 -5.683 -4.589 1.00 0.00 H new ATOM 0 HB3 SER A 369 -0.043 -6.931 -3.359 1.00 0.00 H new ATOM 0 HG SER A 369 -1.550 -7.413 -5.055 1.00 0.00 H new ATOM 425 N ARG A 370 -1.345 -6.565 -0.817 1.00 0.00 N ATOM 426 CA ARG A 370 -2.087 -7.242 0.240 1.00 0.00 C ATOM 427 C ARG A 370 -2.787 -6.233 1.145 1.00 0.00 C ATOM 428 O ARG A 370 -3.850 -6.514 1.699 1.00 0.00 O ATOM 429 CB ARG A 370 -1.148 -8.121 1.068 1.00 0.00 C ATOM 430 CG ARG A 370 -0.133 -7.332 1.880 1.00 0.00 C ATOM 431 CD ARG A 370 0.786 -8.252 2.668 1.00 0.00 C ATOM 432 NE ARG A 370 0.168 -8.714 3.908 1.00 0.00 N ATOM 433 CZ ARG A 370 0.782 -9.496 4.789 1.00 0.00 C ATOM 434 NH1 ARG A 370 2.024 -9.901 4.567 1.00 0.00 N ATOM 435 NH2 ARG A 370 0.152 -9.873 5.894 1.00 0.00 N ATOM 0 H ARG A 370 -0.343 -6.755 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 370 -2.845 -7.871 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 370 -1.742 -8.736 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 370 -0.618 -8.801 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 370 0.461 -6.707 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 370 -0.654 -6.663 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 370 1.051 -9.112 2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 370 1.713 -7.727 2.899 1.00 0.00 H new ATOM 0 HE ARG A 370 -0.788 -8.420 4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 370 2.511 -9.612 3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 370 2.493 -10.501 5.245 1.00 0.00 H new ATOM 0 HH21 ARG A 370 -0.804 -9.562 6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 370 0.624 -10.473 6.570 1.00 0.00 H new ATOM 449 N HIS A 371 -2.184 -5.058 1.291 1.00 0.00 N ATOM 450 CA HIS A 371 -2.750 -4.006 2.129 1.00 0.00 C ATOM 451 C HIS A 371 -3.955 -3.361 1.451 1.00 0.00 C ATOM 452 O HIS A 371 -5.009 -3.195 2.064 1.00 0.00 O ATOM 453 CB HIS A 371 -1.693 -2.945 2.435 1.00 0.00 C ATOM 454 CG HIS A 371 -2.270 -1.606 2.779 1.00 0.00 C ATOM 455 ND1 HIS A 371 -2.878 -1.337 3.987 1.00 0.00 N ATOM 456 CD2 HIS A 371 -2.329 -0.458 2.065 1.00 0.00 C ATOM 457 CE1 HIS A 371 -3.287 -0.080 4.001 1.00 0.00 C ATOM 458 NE2 HIS A 371 -2.965 0.475 2.847 1.00 0.00 N ATOM 0 H HIS A 371 -1.303 -4.810 0.840 1.00 0.00 H new ATOM 0 HA HIS A 371 -3.081 -4.458 3.064 1.00 0.00 H new ATOM 0 HB2 HIS A 371 -1.074 -3.289 3.264 1.00 0.00 H new ATOM 0 HB3 HIS A 371 -1.037 -2.838 1.571 1.00 0.00 H new ATOM 0 HD1 HIS A 371 -2.994 -2.004 4.750 1.00 0.00 H new ATOM 0 HD2 HIS A 371 -1.947 -0.304 1.067 1.00 0.00 H new ATOM 0 HE1 HIS A 371 -3.797 0.410 4.817 1.00 0.00 H new ATOM 466 N ARG A 372 -3.790 -2.997 0.183 1.00 0.00 N ATOM 467 CA ARG A 372 -4.863 -2.368 -0.577 1.00 0.00 C ATOM 468 C ARG A 372 -6.201 -3.043 -0.289 1.00 0.00 C ATOM 469 O ARG A 372 -7.254 -2.409 -0.358 1.00 0.00 O ATOM 470 CB ARG A 372 -4.560 -2.430 -2.075 1.00 0.00 C ATOM 471 CG ARG A 372 -3.300 -1.679 -2.473 1.00 0.00 C ATOM 472 CD ARG A 372 -3.579 -0.200 -2.690 1.00 0.00 C ATOM 473 NE ARG A 372 -4.108 0.068 -4.024 1.00 0.00 N ATOM 474 CZ ARG A 372 -3.352 0.140 -5.114 1.00 0.00 C ATOM 475 NH1 ARG A 372 -2.041 -0.035 -5.028 1.00 0.00 N ATOM 476 NH2 ARG A 372 -3.908 0.388 -6.293 1.00 0.00 N ATOM 0 H ARG A 372 -2.923 -3.127 -0.339 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.929 -1.324 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -4.461 -3.473 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -5.407 -2.020 -2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -2.544 -1.798 -1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -2.891 -2.111 -3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -4.291 0.148 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -2.660 0.367 -2.544 1.00 0.00 H new ATOM 0 HE ARG A 372 -5.113 0.208 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -1.610 -0.226 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -1.463 0.021 -5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -4.917 0.524 -6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -3.327 0.443 -7.129 1.00 0.00 H new ATOM 490 N ARG A 373 -6.151 -4.331 0.033 1.00 0.00 N ATOM 491 CA ARG A 373 -7.359 -5.092 0.329 1.00 0.00 C ATOM 492 C ARG A 373 -8.192 -4.395 1.401 1.00 0.00 C ATOM 493 O ARG A 373 -9.409 -4.265 1.269 1.00 0.00 O ATOM 494 CB ARG A 373 -6.997 -6.505 0.789 1.00 0.00 C ATOM 495 CG ARG A 373 -6.217 -7.301 -0.245 1.00 0.00 C ATOM 496 CD ARG A 373 -6.089 -8.762 0.157 1.00 0.00 C ATOM 497 NE ARG A 373 -5.694 -9.607 -0.967 1.00 0.00 N ATOM 498 CZ ARG A 373 -5.857 -10.925 -0.988 1.00 0.00 C ATOM 499 NH1 ARG A 373 -6.403 -11.546 0.048 1.00 0.00 N ATOM 500 NH2 ARG A 373 -5.472 -11.625 -2.047 1.00 0.00 N ATOM 0 H ARG A 373 -5.287 -4.870 0.096 1.00 0.00 H new ATOM 0 HA ARG A 373 -7.951 -5.154 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 373 -6.409 -6.440 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 373 -7.912 -7.044 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 373 -6.716 -7.231 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 373 -5.224 -6.868 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 373 -5.354 -8.855 0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 373 -7.040 -9.112 0.557 1.00 0.00 H new ATOM 0 HE ARG A 373 -5.270 -9.161 -1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 373 -6.699 -11.012 0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 373 -6.527 -12.558 0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 373 -5.050 -11.151 -2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 373 -5.597 -12.637 -2.062 1.00 0.00 H new ATOM 514 N SER A 374 -7.527 -3.947 2.461 1.00 0.00 N ATOM 515 CA SER A 374 -8.206 -3.267 3.558 1.00 0.00 C ATOM 516 C SER A 374 -9.211 -2.250 3.027 1.00 0.00 C ATOM 517 O SER A 374 -10.265 -2.030 3.626 1.00 0.00 O ATOM 518 CB SER A 374 -7.188 -2.570 4.462 1.00 0.00 C ATOM 519 OG SER A 374 -6.392 -3.515 5.157 1.00 0.00 O ATOM 0 H SER A 374 -6.519 -4.043 2.584 1.00 0.00 H new ATOM 0 HA SER A 374 -8.745 -4.016 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 374 -6.549 -1.922 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 374 -7.708 -1.932 5.177 1.00 0.00 H new ATOM 0 HG SER A 374 -5.748 -3.044 5.727 1.00 0.00 H new ATOM 525 N HIS A 375 -8.878 -1.632 1.898 1.00 0.00 N ATOM 526 CA HIS A 375 -9.752 -0.638 1.284 1.00 0.00 C ATOM 527 C HIS A 375 -10.638 -1.277 0.219 1.00 0.00 C ATOM 528 O HIS A 375 -10.390 -2.401 -0.216 1.00 0.00 O ATOM 529 CB HIS A 375 -8.922 0.488 0.665 1.00 0.00 C ATOM 530 CG HIS A 375 -7.838 0.997 1.565 1.00 0.00 C ATOM 531 ND1 HIS A 375 -8.080 1.825 2.640 1.00 0.00 N ATOM 532 CD2 HIS A 375 -6.501 0.789 1.545 1.00 0.00 C ATOM 533 CE1 HIS A 375 -6.938 2.106 3.242 1.00 0.00 C ATOM 534 NE2 HIS A 375 -5.964 1.489 2.597 1.00 0.00 N ATOM 0 H HIS A 375 -8.010 -1.802 1.390 1.00 0.00 H new ATOM 0 HA HIS A 375 -10.392 -0.223 2.062 1.00 0.00 H new ATOM 0 HB2 HIS A 375 -8.475 0.131 -0.263 1.00 0.00 H new ATOM 0 HB3 HIS A 375 -9.583 1.314 0.403 1.00 0.00 H new ATOM 0 HD1 HIS A 375 -8.997 2.167 2.926 1.00 0.00 H new ATOM 0 HD2 HIS A 375 -5.957 0.185 0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 375 -6.821 2.733 4.113 1.00 0.00 H new ATOM 542 N SER A 376 -11.673 -0.553 -0.195 1.00 0.00 N ATOM 543 CA SER A 376 -12.599 -1.051 -1.205 1.00 0.00 C ATOM 544 C SER A 376 -12.233 -0.519 -2.588 1.00 0.00 C ATOM 545 O SER A 376 -12.399 0.666 -2.873 1.00 0.00 O ATOM 546 CB SER A 376 -14.033 -0.649 -0.855 1.00 0.00 C ATOM 547 OG SER A 376 -14.145 0.754 -0.697 1.00 0.00 O ATOM 0 H SER A 376 -11.891 0.380 0.154 1.00 0.00 H new ATOM 0 HA SER A 376 -12.528 -2.139 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 376 -14.710 -0.985 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 376 -14.340 -1.147 0.065 1.00 0.00 H new ATOM 0 HG SER A 376 -13.596 1.204 -1.372 1.00 0.00 H new ATOM 553 N GLY A 377 -11.733 -1.406 -3.443 1.00 0.00 N ATOM 554 CA GLY A 377 -11.350 -1.008 -4.785 1.00 0.00 C ATOM 555 C GLY A 377 -11.435 -2.152 -5.776 1.00 0.00 C ATOM 556 O GLY A 377 -11.375 -3.320 -5.392 1.00 0.00 O ATOM 0 H GLY A 377 -11.586 -2.393 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -11.995 -0.195 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -10.331 -0.620 -4.769 1.00 0.00 H new ATOM 560 N VAL A 378 -11.577 -1.817 -7.054 1.00 0.00 N ATOM 561 CA VAL A 378 -11.672 -2.825 -8.103 1.00 0.00 C ATOM 562 C VAL A 378 -10.535 -3.835 -7.998 1.00 0.00 C ATOM 563 O VAL A 378 -9.360 -3.476 -8.081 1.00 0.00 O ATOM 564 CB VAL A 378 -11.645 -2.183 -9.503 1.00 0.00 C ATOM 565 CG1 VAL A 378 -11.701 -3.253 -10.582 1.00 0.00 C ATOM 566 CG2 VAL A 378 -12.794 -1.197 -9.658 1.00 0.00 C ATOM 0 H VAL A 378 -11.629 -0.855 -7.388 1.00 0.00 H new ATOM 0 HA VAL A 378 -12.624 -3.337 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 378 -10.709 -1.636 -9.616 1.00 0.00 H new ATOM 0 HG11 VAL A 378 -11.681 -2.781 -11.564 1.00 0.00 H new ATOM 0 HG12 VAL A 378 -10.842 -3.917 -10.481 1.00 0.00 H new ATOM 0 HG13 VAL A 378 -12.620 -3.830 -10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 378 -12.760 -0.752 -10.653 1.00 0.00 H new ATOM 0 HG22 VAL A 378 -13.742 -1.719 -9.526 1.00 0.00 H new ATOM 0 HG23 VAL A 378 -12.704 -0.412 -8.907 1.00 0.00 H new ATOM 576 N LYS A 379 -10.892 -5.102 -7.814 1.00 0.00 N ATOM 577 CA LYS A 379 -9.903 -6.167 -7.699 1.00 0.00 C ATOM 578 C LYS A 379 -9.673 -6.844 -9.047 1.00 0.00 C ATOM 579 O LYS A 379 -10.583 -6.976 -9.865 1.00 0.00 O ATOM 580 CB LYS A 379 -10.355 -7.202 -6.667 1.00 0.00 C ATOM 581 CG LYS A 379 -11.551 -8.025 -7.115 1.00 0.00 C ATOM 582 CD LYS A 379 -12.396 -8.469 -5.933 1.00 0.00 C ATOM 583 CE LYS A 379 -13.758 -8.978 -6.381 1.00 0.00 C ATOM 584 NZ LYS A 379 -14.630 -7.873 -6.866 1.00 0.00 N ATOM 0 H LYS A 379 -11.860 -5.416 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 379 -8.964 -5.722 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 379 -9.524 -7.873 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 379 -10.604 -6.691 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 379 -12.162 -7.437 -7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 379 -11.206 -8.900 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 379 -11.875 -9.255 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 379 -12.527 -7.635 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 379 -13.628 -9.713 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 379 -14.246 -9.488 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 379 -15.616 -8.201 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 379 -14.559 -7.064 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 379 -14.325 -7.582 -7.817 1.00 0.00 H new ATOM 598 N PRO A 380 -8.429 -7.286 -9.284 1.00 0.00 N ATOM 599 CA PRO A 380 -8.052 -7.959 -10.530 1.00 0.00 C ATOM 600 C PRO A 380 -8.672 -9.346 -10.651 1.00 0.00 C ATOM 601 O PRO A 380 -8.509 -10.024 -11.666 1.00 0.00 O ATOM 602 CB PRO A 380 -6.528 -8.061 -10.431 1.00 0.00 C ATOM 603 CG PRO A 380 -6.241 -8.041 -8.969 1.00 0.00 C ATOM 604 CD PRO A 380 -7.294 -7.163 -8.353 1.00 0.00 C ATOM 0 HA PRO A 380 -8.400 -7.415 -11.408 1.00 0.00 H new ATOM 0 HB2 PRO A 380 -6.162 -8.977 -10.894 1.00 0.00 H new ATOM 0 HB3 PRO A 380 -6.042 -7.230 -10.941 1.00 0.00 H new ATOM 0 HG2 PRO A 380 -6.277 -9.047 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 380 -5.243 -7.650 -8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 380 -7.559 -7.497 -7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 380 -6.956 -6.130 -8.266 1.00 0.00 H new ATOM 612 N SER A 381 -9.385 -9.763 -9.609 1.00 0.00 N ATOM 613 CA SER A 381 -10.027 -11.072 -9.597 1.00 0.00 C ATOM 614 C SER A 381 -11.546 -10.932 -9.627 1.00 0.00 C ATOM 615 O SER A 381 -12.081 -9.830 -9.515 1.00 0.00 O ATOM 616 CB SER A 381 -9.600 -11.862 -8.358 1.00 0.00 C ATOM 617 OG SER A 381 -10.126 -11.281 -7.177 1.00 0.00 O ATOM 0 H SER A 381 -9.532 -9.213 -8.763 1.00 0.00 H new ATOM 0 HA SER A 381 -9.712 -11.612 -10.490 1.00 0.00 H new ATOM 0 HB2 SER A 381 -9.943 -12.893 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 381 -8.512 -11.892 -8.299 1.00 0.00 H new ATOM 0 HG SER A 381 -9.841 -11.805 -6.400 1.00 0.00 H new ATOM 623 N GLY A 382 -12.235 -12.059 -9.778 1.00 0.00 N ATOM 624 CA GLY A 382 -13.686 -12.042 -9.820 1.00 0.00 C ATOM 625 C GLY A 382 -14.295 -13.352 -9.363 1.00 0.00 C ATOM 626 O GLY A 382 -14.533 -13.570 -8.175 1.00 0.00 O ATOM 0 H GLY A 382 -11.814 -12.984 -9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -14.055 -11.234 -9.189 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -14.014 -11.828 -10.837 1.00 0.00 H new ATOM 630 N PRO A 383 -14.559 -14.253 -10.321 1.00 0.00 N ATOM 631 CA PRO A 383 -15.149 -15.564 -10.035 1.00 0.00 C ATOM 632 C PRO A 383 -14.183 -16.485 -9.298 1.00 0.00 C ATOM 633 O PRO A 383 -14.592 -17.487 -8.710 1.00 0.00 O ATOM 634 CB PRO A 383 -15.466 -16.122 -11.424 1.00 0.00 C ATOM 635 CG PRO A 383 -14.509 -15.433 -12.336 1.00 0.00 C ATOM 636 CD PRO A 383 -14.302 -14.061 -11.758 1.00 0.00 C ATOM 0 HA PRO A 383 -16.020 -15.486 -9.384 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -15.334 -17.204 -11.456 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -16.499 -15.918 -11.706 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -13.567 -15.977 -12.396 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -14.908 -15.374 -13.348 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -13.291 -13.697 -11.940 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -14.986 -13.334 -12.195 1.00 0.00 H new ATOM 644 N SER A 384 -12.900 -16.141 -9.333 1.00 0.00 N ATOM 645 CA SER A 384 -11.875 -16.939 -8.672 1.00 0.00 C ATOM 646 C SER A 384 -10.645 -16.093 -8.358 1.00 0.00 C ATOM 647 O SER A 384 -10.373 -15.100 -9.032 1.00 0.00 O ATOM 648 CB SER A 384 -11.480 -18.129 -9.549 1.00 0.00 C ATOM 649 OG SER A 384 -12.611 -18.912 -9.887 1.00 0.00 O ATOM 0 H SER A 384 -12.545 -15.314 -9.813 1.00 0.00 H new ATOM 0 HA SER A 384 -12.288 -17.310 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 384 -10.998 -17.770 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 384 -10.751 -18.746 -9.023 1.00 0.00 H new ATOM 0 HG SER A 384 -12.332 -19.665 -10.449 1.00 0.00 H new ATOM 655 N SER A 385 -9.905 -16.494 -7.329 1.00 0.00 N ATOM 656 CA SER A 385 -8.706 -15.772 -6.922 1.00 0.00 C ATOM 657 C SER A 385 -7.780 -16.671 -6.108 1.00 0.00 C ATOM 658 O SER A 385 -8.230 -17.594 -5.432 1.00 0.00 O ATOM 659 CB SER A 385 -9.083 -14.535 -6.104 1.00 0.00 C ATOM 660 OG SER A 385 -7.977 -13.661 -5.962 1.00 0.00 O ATOM 0 H SER A 385 -10.115 -17.315 -6.762 1.00 0.00 H new ATOM 0 HA SER A 385 -8.179 -15.457 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 385 -9.905 -14.010 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 385 -9.438 -14.840 -5.120 1.00 0.00 H new ATOM 0 HG SER A 385 -8.244 -12.878 -5.437 1.00 0.00 H new ATOM 666 N GLY A 386 -6.482 -16.392 -6.180 1.00 0.00 N ATOM 667 CA GLY A 386 -5.512 -17.184 -5.446 1.00 0.00 C ATOM 668 C GLY A 386 -4.701 -16.351 -4.473 1.00 0.00 C ATOM 669 O GLY A 386 -3.482 -16.500 -4.385 1.00 0.00 O ATOM 0 H GLY A 386 -6.085 -15.632 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 386 -6.030 -17.973 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 386 -4.839 -17.673 -6.150 1.00 0.00 H new TER 673 GLY A 386 HETATM 674 ZN ZN A 200 -4.030 2.106 2.404 1.00 0.00 ZN