USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 339 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 Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 180:sc= -0.506 USER MOD Single : A 302 TYR OH : rot 180:sc= 0 USER MOD Single : A 304 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 307 SER OG : rot 180:sc= 0 USER MOD Single : A 309 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.87) USER MOD Single : A 311 MET CE :methyl 158:sc= -3.43! (180deg=-4.26!) USER MOD Single : A 312 ASN : amide:sc= -1.15 K(o=-1.1,f=-6.6!) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 318 HIS :FLIP no HD1:sc= -9.87! C(o=-11!,f=-9.9!) USER MOD Single : A 320 ASN : amide:sc=-0.00248 X(o=-0.0025,f=0) USER MOD Single : A 328 ASN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 28.916 8.115 -0.250 1.00 0.00 N ATOM 2 CA SER A 290 29.921 8.298 0.830 1.00 0.00 C ATOM 3 C SER A 290 29.251 8.396 2.196 1.00 0.00 C ATOM 4 O SER A 290 29.507 7.583 3.084 1.00 0.00 O ATOM 5 CB SER A 290 30.721 9.570 0.541 1.00 0.00 C ATOM 6 OG SER A 290 32.089 9.397 0.869 1.00 0.00 O ATOM 0 HA SER A 290 30.584 7.433 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 290 30.627 9.831 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 290 30.309 10.401 1.114 1.00 0.00 H new ATOM 0 HG SER A 290 32.579 10.223 0.674 1.00 0.00 H new ATOM 14 N PHE A 291 28.392 9.398 2.357 1.00 0.00 N ATOM 15 CA PHE A 291 27.684 9.602 3.616 1.00 0.00 C ATOM 16 C PHE A 291 26.233 9.144 3.505 1.00 0.00 C ATOM 17 O PHE A 291 25.644 8.671 4.477 1.00 0.00 O ATOM 18 CB PHE A 291 27.739 11.077 4.021 1.00 0.00 C ATOM 19 CG PHE A 291 28.777 11.373 5.068 1.00 0.00 C ATOM 20 CD1 PHE A 291 28.494 11.196 6.412 1.00 0.00 C ATOM 21 CD2 PHE A 291 30.035 11.827 4.705 1.00 0.00 C ATOM 22 CE1 PHE A 291 29.445 11.467 7.376 1.00 0.00 C ATOM 23 CE2 PHE A 291 30.991 12.099 5.665 1.00 0.00 C ATOM 24 CZ PHE A 291 30.696 11.920 7.001 1.00 0.00 C ATOM 0 H PHE A 291 28.170 10.080 1.632 1.00 0.00 H new ATOM 0 HA PHE A 291 28.175 9.004 4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 291 27.944 11.681 3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 291 26.761 11.380 4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 291 27.518 10.842 6.710 1.00 0.00 H new ATOM 0 HD2 PHE A 291 30.271 11.970 3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 291 29.212 11.325 8.421 1.00 0.00 H new ATOM 0 HE2 PHE A 291 31.968 12.451 5.370 1.00 0.00 H new ATOM 0 HZ PHE A 291 31.441 12.134 7.753 1.00 0.00 H new ATOM 34 N GLU A 292 25.662 9.289 2.313 1.00 0.00 N ATOM 35 CA GLU A 292 24.280 8.890 2.075 1.00 0.00 C ATOM 36 C GLU A 292 24.091 7.400 2.342 1.00 0.00 C ATOM 37 O GLU A 292 24.685 6.558 1.668 1.00 0.00 O ATOM 38 CB GLU A 292 23.871 9.219 0.638 1.00 0.00 C ATOM 39 CG GLU A 292 22.423 9.664 0.505 1.00 0.00 C ATOM 40 CD GLU A 292 22.290 11.031 -0.138 1.00 0.00 C ATOM 41 OE1 GLU A 292 23.179 11.404 -0.931 1.00 0.00 O ATOM 42 OE2 GLU A 292 21.293 11.727 0.151 1.00 0.00 O ATOM 0 H GLU A 292 26.135 9.680 1.498 1.00 0.00 H new ATOM 0 HA GLU A 292 23.644 9.448 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 292 24.521 10.006 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 292 24.031 8.341 0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 292 21.875 8.932 -0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 292 21.961 9.684 1.492 1.00 0.00 H new ATOM 49 N GLU A 293 23.260 7.081 3.329 1.00 0.00 N ATOM 50 CA GLU A 293 22.994 5.693 3.686 1.00 0.00 C ATOM 51 C GLU A 293 22.406 4.929 2.503 1.00 0.00 C ATOM 52 O GLU A 293 21.942 5.529 1.534 1.00 0.00 O ATOM 53 CB GLU A 293 22.037 5.625 4.878 1.00 0.00 C ATOM 54 CG GLU A 293 22.691 5.980 6.204 1.00 0.00 C ATOM 55 CD GLU A 293 21.792 6.815 7.093 1.00 0.00 C ATOM 56 OE1 GLU A 293 21.521 7.980 6.736 1.00 0.00 O ATOM 57 OE2 GLU A 293 21.358 6.304 8.146 1.00 0.00 O ATOM 0 H GLU A 293 22.759 7.765 3.896 1.00 0.00 H new ATOM 0 HA GLU A 293 23.940 5.228 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 293 21.201 6.302 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 293 21.623 4.619 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 293 22.963 5.063 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 293 23.616 6.525 6.014 1.00 0.00 H new ATOM 64 N ASP A 294 22.429 3.603 2.592 1.00 0.00 N ATOM 65 CA ASP A 294 21.899 2.756 1.530 1.00 0.00 C ATOM 66 C ASP A 294 20.454 2.353 1.827 1.00 0.00 C ATOM 67 O ASP A 294 20.208 1.469 2.648 1.00 0.00 O ATOM 68 CB ASP A 294 22.765 1.506 1.367 1.00 0.00 C ATOM 69 CG ASP A 294 22.932 1.102 -0.085 1.00 0.00 C ATOM 70 OD1 ASP A 294 21.923 1.099 -0.819 1.00 0.00 O ATOM 71 OD2 ASP A 294 24.072 0.789 -0.487 1.00 0.00 O ATOM 0 H ASP A 294 22.809 3.092 3.389 1.00 0.00 H new ATOM 0 HA ASP A 294 21.916 3.325 0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 294 23.746 1.688 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 294 22.316 0.682 1.921 1.00 0.00 H new ATOM 76 N PRO A 295 19.476 2.996 1.163 1.00 0.00 N ATOM 77 CA PRO A 295 18.056 2.693 1.370 1.00 0.00 C ATOM 78 C PRO A 295 17.679 1.308 0.854 1.00 0.00 C ATOM 79 O PRO A 295 17.476 1.115 -0.344 1.00 0.00 O ATOM 80 CB PRO A 295 17.335 3.776 0.564 1.00 0.00 C ATOM 81 CG PRO A 295 18.319 4.197 -0.473 1.00 0.00 C ATOM 82 CD PRO A 295 19.673 4.064 0.165 1.00 0.00 C ATOM 0 HA PRO A 295 17.793 2.686 2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 295 16.423 3.390 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 295 17.045 4.614 1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 295 18.243 3.570 -1.361 1.00 0.00 H new ATOM 0 HG3 PRO A 295 18.136 5.223 -0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 295 20.437 3.796 -0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 295 19.991 4.996 0.631 1.00 0.00 H new ATOM 90 N GLU A 296 17.584 0.347 1.769 1.00 0.00 N ATOM 91 CA GLU A 296 17.228 -1.020 1.406 1.00 0.00 C ATOM 92 C GLU A 296 15.768 -1.104 0.978 1.00 0.00 C ATOM 93 O GLU A 296 15.411 -1.891 0.102 1.00 0.00 O ATOM 94 CB GLU A 296 17.483 -1.964 2.582 1.00 0.00 C ATOM 95 CG GLU A 296 18.955 -2.121 2.929 1.00 0.00 C ATOM 96 CD GLU A 296 19.314 -3.543 3.315 1.00 0.00 C ATOM 97 OE1 GLU A 296 19.049 -4.461 2.511 1.00 0.00 O ATOM 98 OE2 GLU A 296 19.861 -3.737 4.421 1.00 0.00 O ATOM 0 H GLU A 296 17.748 0.490 2.765 1.00 0.00 H new ATOM 0 HA GLU A 296 17.852 -1.322 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 296 16.950 -1.593 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 296 17.067 -2.944 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 296 19.560 -1.816 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 296 19.204 -1.451 3.752 1.00 0.00 H new ATOM 105 N ILE A 297 14.926 -0.286 1.602 1.00 0.00 N ATOM 106 CA ILE A 297 13.504 -0.263 1.287 1.00 0.00 C ATOM 107 C ILE A 297 13.102 1.069 0.667 1.00 0.00 C ATOM 108 O ILE A 297 12.783 1.144 -0.519 1.00 0.00 O ATOM 109 CB ILE A 297 12.645 -0.518 2.543 1.00 0.00 C ATOM 110 CG1 ILE A 297 13.072 -1.819 3.224 1.00 0.00 C ATOM 111 CG2 ILE A 297 11.167 -0.566 2.177 1.00 0.00 C ATOM 112 CD1 ILE A 297 12.586 -1.941 4.652 1.00 0.00 C ATOM 0 H ILE A 297 15.206 0.371 2.330 1.00 0.00 H new ATOM 0 HA ILE A 297 13.325 -1.063 0.568 1.00 0.00 H new ATOM 0 HB ILE A 297 12.799 0.304 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 297 12.694 -2.663 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 297 14.160 -1.886 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 297 10.576 -0.747 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.871 0.384 1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.995 -1.370 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 297 12.926 -2.888 5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 297 12.985 -1.117 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 297 11.497 -1.906 4.670 1.00 0.00 H new ATOM 124 N SER A 298 13.122 2.115 1.480 1.00 0.00 N ATOM 125 CA SER A 298 12.762 3.451 1.019 1.00 0.00 C ATOM 126 C SER A 298 11.335 3.475 0.479 1.00 0.00 C ATOM 127 O SER A 298 10.704 2.431 0.314 1.00 0.00 O ATOM 128 CB SER A 298 13.737 3.921 -0.062 1.00 0.00 C ATOM 129 OG SER A 298 13.211 5.024 -0.780 1.00 0.00 O ATOM 0 H SER A 298 13.384 2.066 2.465 1.00 0.00 H new ATOM 0 HA SER A 298 12.820 4.129 1.870 1.00 0.00 H new ATOM 0 HB2 SER A 298 14.686 4.201 0.396 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.945 3.101 -0.750 1.00 0.00 H new ATOM 0 HG SER A 298 13.854 5.306 -1.464 1.00 0.00 H new ATOM 135 N LEU A 299 10.834 4.675 0.208 1.00 0.00 N ATOM 136 CA LEU A 299 9.482 4.841 -0.314 1.00 0.00 C ATOM 137 C LEU A 299 9.343 4.227 -1.707 1.00 0.00 C ATOM 138 O LEU A 299 8.233 4.002 -2.188 1.00 0.00 O ATOM 139 CB LEU A 299 9.115 6.326 -0.364 1.00 0.00 C ATOM 140 CG LEU A 299 9.153 7.048 0.984 1.00 0.00 C ATOM 141 CD1 LEU A 299 9.658 8.472 0.813 1.00 0.00 C ATOM 142 CD2 LEU A 299 7.775 7.044 1.628 1.00 0.00 C ATOM 0 H LEU A 299 11.344 5.548 0.341 1.00 0.00 H new ATOM 0 HA LEU A 299 8.799 4.320 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 299 9.797 6.830 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 299 8.113 6.423 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 299 9.842 6.516 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 299 9.678 8.970 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 299 10.664 8.453 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 299 8.994 9.015 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 299 7.820 7.562 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 299 7.066 7.552 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 299 7.450 6.016 1.786 1.00 0.00 H new ATOM 154 N ALA A 300 10.475 3.965 -2.352 1.00 0.00 N ATOM 155 CA ALA A 300 10.479 3.388 -3.692 1.00 0.00 C ATOM 156 C ALA A 300 9.852 1.997 -3.709 1.00 0.00 C ATOM 157 O ALA A 300 9.302 1.569 -4.723 1.00 0.00 O ATOM 158 CB ALA A 300 11.900 3.330 -4.232 1.00 0.00 C ATOM 0 H ALA A 300 11.403 4.143 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 300 9.875 4.031 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.892 2.898 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.314 4.337 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.514 2.713 -3.575 1.00 0.00 H new ATOM 164 N ASP A 301 9.945 1.292 -2.587 1.00 0.00 N ATOM 165 CA ASP A 301 9.391 -0.054 -2.484 1.00 0.00 C ATOM 166 C ASP A 301 7.902 -0.029 -2.140 1.00 0.00 C ATOM 167 O ASP A 301 7.235 -1.062 -2.172 1.00 0.00 O ATOM 168 CB ASP A 301 10.153 -0.857 -1.428 1.00 0.00 C ATOM 169 CG ASP A 301 10.153 -2.345 -1.720 1.00 0.00 C ATOM 170 OD1 ASP A 301 10.071 -2.717 -2.910 1.00 0.00 O ATOM 171 OD2 ASP A 301 10.233 -3.139 -0.760 1.00 0.00 O ATOM 0 H ASP A 301 10.398 1.629 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 301 9.502 -0.531 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 301 11.182 -0.500 -1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.705 -0.682 -0.450 1.00 0.00 H new ATOM 176 N TYR A 302 7.385 1.150 -1.802 1.00 0.00 N ATOM 177 CA TYR A 302 5.979 1.291 -1.445 1.00 0.00 C ATOM 178 C TYR A 302 5.069 0.822 -2.567 1.00 0.00 C ATOM 179 O TYR A 302 5.530 0.478 -3.656 1.00 0.00 O ATOM 180 CB TYR A 302 5.663 2.748 -1.122 1.00 0.00 C ATOM 181 CG TYR A 302 6.112 3.153 0.254 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.243 2.586 0.814 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.403 4.089 0.998 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.666 2.930 2.071 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.822 4.446 2.265 1.00 0.00 C ATOM 186 CZ TYR A 302 6.956 3.863 2.799 1.00 0.00 C ATOM 187 OH TYR A 302 7.376 4.213 4.061 1.00 0.00 O ATOM 0 H TYR A 302 7.919 2.019 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 302 5.799 0.667 -0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.144 3.391 -1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.589 2.910 -1.210 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.804 1.857 0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.515 4.542 0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.551 2.473 2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.267 5.176 2.835 1.00 0.00 H new ATOM 0 HH TYR A 302 6.766 4.882 4.435 1.00 0.00 H new ATOM 197 N TRP A 303 3.769 0.839 -2.303 1.00 0.00 N ATOM 198 CA TRP A 303 2.791 0.446 -3.301 1.00 0.00 C ATOM 199 C TRP A 303 1.644 1.441 -3.341 1.00 0.00 C ATOM 200 O TRP A 303 1.487 2.264 -2.436 1.00 0.00 O ATOM 201 CB TRP A 303 2.262 -0.967 -3.050 1.00 0.00 C ATOM 202 CG TRP A 303 1.795 -1.228 -1.646 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.532 -1.717 -0.600 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.468 -1.032 -1.146 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.735 -1.843 0.517 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.466 -1.427 0.205 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.720 -0.560 -1.711 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.682 -1.366 0.995 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -1.855 -0.498 -0.923 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.829 -0.900 0.415 1.00 0.00 C ATOM 0 H TRP A 303 3.371 1.121 -1.407 1.00 0.00 H new ATOM 0 HA TRP A 303 3.292 0.444 -4.269 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.434 -1.156 -3.734 1.00 0.00 H new ATOM 0 HB3 TRP A 303 3.047 -1.682 -3.295 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.582 -1.967 -0.644 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.039 -2.189 1.427 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -0.751 -0.249 -2.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.665 -1.676 2.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -2.778 -0.132 -1.349 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.733 -0.841 1.003 1.00 0.00 H new ATOM 221 N LYS A 304 0.857 1.368 -4.403 1.00 0.00 N ATOM 222 CA LYS A 304 -0.273 2.276 -4.577 1.00 0.00 C ATOM 223 C LYS A 304 -1.597 1.577 -4.308 1.00 0.00 C ATOM 224 O LYS A 304 -1.953 0.611 -4.983 1.00 0.00 O ATOM 225 CB LYS A 304 -0.279 2.864 -5.988 1.00 0.00 C ATOM 226 CG LYS A 304 -1.391 3.878 -6.215 1.00 0.00 C ATOM 227 CD LYS A 304 -0.932 5.291 -5.893 1.00 0.00 C ATOM 228 CE LYS A 304 -0.277 5.952 -7.095 1.00 0.00 C ATOM 229 NZ LYS A 304 -0.388 7.436 -7.041 1.00 0.00 N ATOM 0 H LYS A 304 0.977 0.692 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.157 3.082 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.682 3.341 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -0.382 2.055 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -1.722 3.830 -7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.250 3.623 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.785 5.887 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -0.227 5.265 -5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 304 0.774 5.668 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 304 -0.743 5.586 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 0.071 7.849 -7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 -1.391 7.709 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 0.079 7.788 -6.181 1.00 0.00 H new ATOM 243 N CYS A 305 -2.324 2.083 -3.323 1.00 0.00 N ATOM 244 CA CYS A 305 -3.620 1.523 -2.963 1.00 0.00 C ATOM 245 C CYS A 305 -4.640 1.791 -4.070 1.00 0.00 C ATOM 246 O CYS A 305 -4.866 2.935 -4.459 1.00 0.00 O ATOM 247 CB CYS A 305 -4.075 2.109 -1.623 1.00 0.00 C ATOM 248 SG CYS A 305 -5.764 1.690 -1.144 1.00 0.00 S ATOM 0 H CYS A 305 -2.038 2.882 -2.757 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.534 0.442 -2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.396 1.765 -0.843 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -3.984 3.194 -1.668 1.00 0.00 H new ATOM 254 N THR A 306 -5.232 0.718 -4.592 1.00 0.00 N ATOM 255 CA THR A 306 -6.205 0.820 -5.681 1.00 0.00 C ATOM 256 C THR A 306 -7.519 1.459 -5.235 1.00 0.00 C ATOM 257 O THR A 306 -8.387 1.738 -6.062 1.00 0.00 O ATOM 258 CB THR A 306 -6.481 -0.565 -6.268 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.199 -1.366 -5.348 1.00 0.00 O ATOM 260 CG2 THR A 306 -5.222 -1.316 -6.646 1.00 0.00 C ATOM 0 H THR A 306 -5.055 -0.236 -4.278 1.00 0.00 H new ATOM 0 HA THR A 306 -5.767 1.468 -6.440 1.00 0.00 H new ATOM 0 HB THR A 306 -7.063 -0.385 -7.172 1.00 0.00 H new ATOM 0 HG1 THR A 306 -7.367 -2.247 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 306 -5.489 -2.290 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 306 -4.669 -0.747 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 306 -4.600 -1.452 -5.761 1.00 0.00 H new ATOM 268 N SER A 307 -7.669 1.685 -3.938 1.00 0.00 N ATOM 269 CA SER A 307 -8.885 2.286 -3.410 1.00 0.00 C ATOM 270 C SER A 307 -8.807 3.807 -3.448 1.00 0.00 C ATOM 271 O SER A 307 -9.432 4.452 -4.290 1.00 0.00 O ATOM 272 CB SER A 307 -9.131 1.808 -1.976 1.00 0.00 C ATOM 273 OG SER A 307 -10.369 1.126 -1.872 1.00 0.00 O ATOM 0 H SER A 307 -6.966 1.462 -3.233 1.00 0.00 H new ATOM 0 HA SER A 307 -9.718 1.972 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 307 -8.321 1.148 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 307 -9.124 2.662 -1.298 1.00 0.00 H new ATOM 0 HG SER A 307 -10.502 0.829 -0.948 1.00 0.00 H new ATOM 279 N CYS A 308 -8.046 4.372 -2.522 1.00 0.00 N ATOM 280 CA CYS A 308 -7.893 5.823 -2.437 1.00 0.00 C ATOM 281 C CYS A 308 -6.629 6.316 -3.145 1.00 0.00 C ATOM 282 O CYS A 308 -6.355 7.517 -3.159 1.00 0.00 O ATOM 283 CB CYS A 308 -7.888 6.282 -0.975 1.00 0.00 C ATOM 284 SG CYS A 308 -6.887 5.258 0.130 1.00 0.00 S ATOM 0 H CYS A 308 -7.524 3.851 -1.818 1.00 0.00 H new ATOM 0 HA CYS A 308 -8.749 6.262 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -7.521 7.308 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.914 6.294 -0.608 1.00 0.00 H new ATOM 290 N ASN A 309 -5.858 5.400 -3.731 1.00 0.00 N ATOM 291 CA ASN A 309 -4.632 5.778 -4.429 1.00 0.00 C ATOM 292 C ASN A 309 -3.580 6.281 -3.446 1.00 0.00 C ATOM 293 O ASN A 309 -2.750 7.122 -3.786 1.00 0.00 O ATOM 294 CB ASN A 309 -4.925 6.853 -5.480 1.00 0.00 C ATOM 295 CG ASN A 309 -4.463 6.448 -6.866 1.00 0.00 C ATOM 296 OD1 ASN A 309 -4.530 5.276 -7.237 1.00 0.00 O ATOM 297 ND2 ASN A 309 -3.989 7.418 -7.639 1.00 0.00 N ATOM 0 H ASN A 309 -6.059 4.400 -3.736 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.241 4.892 -4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -5.996 7.054 -5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.432 7.782 -5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -3.662 7.205 -8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -3.952 8.376 -7.290 1.00 0.00 H new ATOM 304 N GLU A 310 -3.619 5.754 -2.226 1.00 0.00 N ATOM 305 CA GLU A 310 -2.665 6.147 -1.196 1.00 0.00 C ATOM 306 C GLU A 310 -1.377 5.349 -1.329 1.00 0.00 C ATOM 307 O GLU A 310 -1.357 4.282 -1.940 1.00 0.00 O ATOM 308 CB GLU A 310 -3.262 5.933 0.197 1.00 0.00 C ATOM 309 CG GLU A 310 -2.793 6.950 1.224 1.00 0.00 C ATOM 310 CD GLU A 310 -3.801 8.060 1.446 1.00 0.00 C ATOM 311 OE1 GLU A 310 -5.014 7.797 1.306 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.378 9.192 1.762 1.00 0.00 O ATOM 0 H GLU A 310 -4.300 5.055 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.441 7.206 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.349 5.975 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -3.003 4.933 0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.601 6.444 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.848 7.383 0.896 1.00 0.00 H new ATOM 319 N MET A 311 -0.302 5.866 -0.747 1.00 0.00 N ATOM 320 CA MET A 311 0.981 5.189 -0.798 1.00 0.00 C ATOM 321 C MET A 311 1.232 4.454 0.510 1.00 0.00 C ATOM 322 O MET A 311 0.908 4.955 1.587 1.00 0.00 O ATOM 323 CB MET A 311 2.104 6.193 -1.067 1.00 0.00 C ATOM 324 CG MET A 311 2.110 6.730 -2.491 1.00 0.00 C ATOM 325 SD MET A 311 3.703 6.523 -3.312 1.00 0.00 S ATOM 326 CE MET A 311 4.050 4.805 -2.948 1.00 0.00 C ATOM 0 H MET A 311 -0.296 6.749 -0.237 1.00 0.00 H new ATOM 0 HA MET A 311 0.964 4.465 -1.613 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.008 7.028 -0.373 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.063 5.717 -0.863 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.340 6.220 -3.070 1.00 0.00 H new ATOM 0 HG3 MET A 311 1.849 7.788 -2.476 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.761 4.415 -3.676 1.00 0.00 H new ATOM 0 HE2 MET A 311 4.474 4.724 -1.947 1.00 0.00 H new ATOM 0 HE3 MET A 311 3.126 4.229 -2.999 1.00 0.00 H new ATOM 336 N ASN A 312 1.798 3.260 0.411 1.00 0.00 N ATOM 337 CA ASN A 312 2.075 2.454 1.591 1.00 0.00 C ATOM 338 C ASN A 312 3.387 1.700 1.437 1.00 0.00 C ATOM 339 O ASN A 312 3.823 1.427 0.321 1.00 0.00 O ATOM 340 CB ASN A 312 0.936 1.466 1.821 1.00 0.00 C ATOM 341 CG ASN A 312 -0.406 2.156 1.976 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.763 2.608 3.064 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.159 2.238 0.884 1.00 0.00 N ATOM 0 H ASN A 312 2.074 2.829 -0.471 1.00 0.00 H new ATOM 0 HA ASN A 312 2.159 3.120 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.889 0.769 0.984 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.144 0.877 2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -2.073 2.690 0.927 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -0.823 1.849 0.003 1.00 0.00 H new ATOM 350 N PRO A 313 4.035 1.342 2.555 1.00 0.00 N ATOM 351 CA PRO A 313 5.296 0.614 2.520 1.00 0.00 C ATOM 352 C PRO A 313 5.096 -0.873 2.274 1.00 0.00 C ATOM 353 O PRO A 313 3.972 -1.370 2.281 1.00 0.00 O ATOM 354 CB PRO A 313 5.870 0.856 3.912 1.00 0.00 C ATOM 355 CG PRO A 313 4.672 0.965 4.783 1.00 0.00 C ATOM 356 CD PRO A 313 3.596 1.610 3.939 1.00 0.00 C ATOM 0 HA PRO A 313 5.945 0.948 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.517 0.036 4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.470 1.765 3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.355 -0.017 5.134 1.00 0.00 H new ATOM 0 HG3 PRO A 313 4.886 1.566 5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.616 1.178 4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.519 2.679 4.136 1.00 0.00 H new ATOM 364 N PRO A 314 6.196 -1.596 2.037 1.00 0.00 N ATOM 365 CA PRO A 314 6.161 -3.034 1.780 1.00 0.00 C ATOM 366 C PRO A 314 5.908 -3.868 3.038 1.00 0.00 C ATOM 367 O PRO A 314 5.502 -5.027 2.946 1.00 0.00 O ATOM 368 CB PRO A 314 7.547 -3.327 1.209 1.00 0.00 C ATOM 369 CG PRO A 314 8.431 -2.268 1.769 1.00 0.00 C ATOM 370 CD PRO A 314 7.569 -1.054 1.990 1.00 0.00 C ATOM 0 HA PRO A 314 5.341 -3.299 1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.890 -4.320 1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.538 -3.297 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.883 -2.597 2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 314 9.247 -2.043 1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.829 -0.543 2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.685 -0.330 1.184 1.00 0.00 H new ATOM 378 N LEU A 315 6.169 -3.289 4.211 1.00 0.00 N ATOM 379 CA LEU A 315 5.986 -4.013 5.473 1.00 0.00 C ATOM 380 C LEU A 315 4.562 -4.552 5.617 1.00 0.00 C ATOM 381 O LEU A 315 4.366 -5.732 5.910 1.00 0.00 O ATOM 382 CB LEU A 315 6.336 -3.119 6.668 1.00 0.00 C ATOM 383 CG LEU A 315 7.645 -2.337 6.533 1.00 0.00 C ATOM 384 CD1 LEU A 315 7.438 -0.876 6.906 1.00 0.00 C ATOM 385 CD2 LEU A 315 8.731 -2.960 7.398 1.00 0.00 C ATOM 0 H LEU A 315 6.504 -2.331 4.315 1.00 0.00 H new ATOM 0 HA LEU A 315 6.666 -4.865 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 315 5.522 -2.411 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.392 -3.740 7.562 1.00 0.00 H new ATOM 0 HG LEU A 315 7.965 -2.383 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 315 8.380 -0.337 6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 315 6.693 -0.434 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 315 7.092 -0.809 7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 315 9.654 -2.391 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 315 8.417 -2.946 8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 315 8.901 -3.990 7.084 1.00 0.00 H new ATOM 397 N PRO A 316 3.545 -3.699 5.408 1.00 0.00 N ATOM 398 CA PRO A 316 2.149 -4.088 5.512 1.00 0.00 C ATOM 399 C PRO A 316 1.586 -4.567 4.180 1.00 0.00 C ATOM 400 O PRO A 316 2.333 -4.830 3.238 1.00 0.00 O ATOM 401 CB PRO A 316 1.465 -2.789 5.935 1.00 0.00 C ATOM 402 CG PRO A 316 2.343 -1.683 5.433 1.00 0.00 C ATOM 403 CD PRO A 316 3.674 -2.285 5.050 1.00 0.00 C ATOM 0 HA PRO A 316 2.001 -4.918 6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.464 -2.718 5.509 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.355 -2.740 7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.885 -1.192 4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.475 -0.922 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 316 3.876 -2.160 3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 316 4.495 -1.811 5.588 1.00 0.00 H new ATOM 411 N SER A 317 0.264 -4.670 4.107 1.00 0.00 N ATOM 412 CA SER A 317 -0.394 -5.107 2.885 1.00 0.00 C ATOM 413 C SER A 317 -1.563 -4.188 2.536 1.00 0.00 C ATOM 414 O SER A 317 -1.754 -3.843 1.371 1.00 0.00 O ATOM 415 CB SER A 317 -0.864 -6.555 3.016 1.00 0.00 C ATOM 416 OG SER A 317 0.032 -7.441 2.368 1.00 0.00 O ATOM 0 H SER A 317 -0.370 -4.457 4.877 1.00 0.00 H new ATOM 0 HA SER A 317 0.330 -5.054 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 317 -0.945 -6.821 4.070 1.00 0.00 H new ATOM 0 HB3 SER A 317 -1.859 -6.658 2.584 1.00 0.00 H new ATOM 0 HG SER A 317 -0.289 -8.362 2.467 1.00 0.00 H new ATOM 422 N HIS A 318 -2.337 -3.770 3.543 1.00 0.00 N ATOM 423 CA HIS A 318 -3.460 -2.870 3.290 1.00 0.00 C ATOM 424 C HIS A 318 -3.050 -1.430 3.498 1.00 0.00 C ATOM 425 O HIS A 318 -2.097 -1.125 4.214 1.00 0.00 O ATOM 426 CB HIS A 318 -4.710 -3.164 4.141 1.00 0.00 C ATOM 427 CG HIS A 318 -4.473 -3.892 5.413 1.00 0.00 C ATOM 428 ND1 HIS A 318 -3.532 -3.726 6.350 1.00 0.00 N flip ATOM 429 CD2 HIS A 318 -5.275 -4.922 5.845 1.00 0.00 C flip ATOM 430 CE1 HIS A 318 -3.770 -4.652 7.338 1.00 0.00 C flip ATOM 431 NE2 HIS A 318 -4.833 -5.362 7.003 1.00 0.00 N flip ATOM 0 H HIS A 318 -2.209 -4.035 4.520 1.00 0.00 H new ATOM 0 HA HIS A 318 -3.735 -3.046 2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -5.199 -2.218 4.372 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.408 -3.744 3.538 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -6.133 -5.309 5.316 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -3.186 -4.778 8.238 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -5.241 -6.121 7.549 1.00 0.00 H new ATOM 440 N CYS A 319 -3.792 -0.558 2.853 1.00 0.00 N ATOM 441 CA CYS A 319 -3.547 0.871 2.928 1.00 0.00 C ATOM 442 C CYS A 319 -3.720 1.370 4.361 1.00 0.00 C ATOM 443 O CYS A 319 -4.620 0.928 5.078 1.00 0.00 O ATOM 444 CB CYS A 319 -4.491 1.599 1.968 1.00 0.00 C ATOM 445 SG CYS A 319 -4.640 3.381 2.245 1.00 0.00 S ATOM 0 H CYS A 319 -4.582 -0.816 2.262 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.519 1.079 2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.146 1.433 0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.481 1.150 2.046 1.00 0.00 H new ATOM 450 N ASN A 320 -2.847 2.287 4.770 1.00 0.00 N ATOM 451 CA ASN A 320 -2.885 2.843 6.122 1.00 0.00 C ATOM 452 C ASN A 320 -3.957 3.921 6.269 1.00 0.00 C ATOM 453 O ASN A 320 -3.816 4.840 7.076 1.00 0.00 O ATOM 454 CB ASN A 320 -1.517 3.419 6.491 1.00 0.00 C ATOM 455 CG ASN A 320 -0.629 2.404 7.186 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.210 2.606 8.325 1.00 0.00 O ATOM 457 ND2 ASN A 320 -0.339 1.304 6.501 1.00 0.00 N ATOM 0 H ASN A 320 -2.102 2.662 4.183 1.00 0.00 H new ATOM 0 HA ASN A 320 -3.138 2.030 6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -1.020 3.774 5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.653 4.283 7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 320 0.253 0.585 6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 320 -0.708 1.178 5.559 1.00 0.00 H new ATOM 464 N ARG A 321 -5.030 3.800 5.497 1.00 0.00 N ATOM 465 CA ARG A 321 -6.127 4.754 5.552 1.00 0.00 C ATOM 466 C ARG A 321 -7.457 4.027 5.407 1.00 0.00 C ATOM 467 O ARG A 321 -8.323 4.110 6.277 1.00 0.00 O ATOM 468 CB ARG A 321 -5.977 5.803 4.449 1.00 0.00 C ATOM 469 CG ARG A 321 -4.662 6.563 4.508 1.00 0.00 C ATOM 470 CD ARG A 321 -4.881 8.069 4.551 1.00 0.00 C ATOM 471 NE ARG A 321 -4.661 8.617 5.889 1.00 0.00 N ATOM 472 CZ ARG A 321 -5.627 8.810 6.785 1.00 0.00 C ATOM 473 NH1 ARG A 321 -6.886 8.496 6.502 1.00 0.00 N ATOM 474 NH2 ARG A 321 -5.333 9.319 7.974 1.00 0.00 N ATOM 0 H ARG A 321 -5.163 3.046 4.823 1.00 0.00 H new ATOM 0 HA ARG A 321 -6.103 5.260 6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -6.061 5.313 3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.801 6.513 4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -4.102 6.252 5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.056 6.308 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -4.206 8.554 3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -5.897 8.297 4.228 1.00 0.00 H new ATOM 0 HE ARG A 321 -3.708 8.867 6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -7.121 8.103 5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -7.618 8.648 7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -4.369 9.562 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -6.071 9.468 8.662 1.00 0.00 H new ATOM 488 N CYS A 322 -7.605 3.309 4.300 1.00 0.00 N ATOM 489 CA CYS A 322 -8.820 2.555 4.031 1.00 0.00 C ATOM 490 C CYS A 322 -8.651 1.079 4.400 1.00 0.00 C ATOM 491 O CYS A 322 -9.633 0.344 4.506 1.00 0.00 O ATOM 492 CB CYS A 322 -9.208 2.692 2.555 1.00 0.00 C ATOM 493 SG CYS A 322 -8.178 1.734 1.419 1.00 0.00 S ATOM 0 H CYS A 322 -6.894 3.234 3.572 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.618 2.966 4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.246 2.381 2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -9.155 3.744 2.274 1.00 0.00 H new ATOM 498 N TRP A 323 -7.401 0.646 4.591 1.00 0.00 N ATOM 499 CA TRP A 323 -7.115 -0.740 4.941 1.00 0.00 C ATOM 500 C TRP A 323 -7.394 -1.676 3.765 1.00 0.00 C ATOM 501 O TRP A 323 -7.805 -2.820 3.956 1.00 0.00 O ATOM 502 CB TRP A 323 -7.928 -1.173 6.165 1.00 0.00 C ATOM 503 CG TRP A 323 -7.088 -1.386 7.387 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.305 -0.460 8.017 1.00 0.00 C ATOM 505 CD2 TRP A 323 -6.945 -2.604 8.128 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.685 -1.029 9.103 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.062 -2.344 9.193 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.479 -3.889 7.994 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.700 -3.321 10.117 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -7.120 -4.858 8.912 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.239 -4.570 9.962 1.00 0.00 C ATOM 0 H TRP A 323 -6.575 1.238 4.508 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.055 -0.805 5.186 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.682 -0.416 6.378 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.459 -2.096 5.932 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.190 0.568 7.707 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.047 -0.550 9.739 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -8.160 -4.120 7.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -5.019 -3.102 10.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.526 -5.854 8.818 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -5.980 -5.349 10.664 1.00 0.00 H new ATOM 522 N ALA A 324 -7.142 -1.192 2.550 1.00 0.00 N ATOM 523 CA ALA A 324 -7.344 -2.000 1.352 1.00 0.00 C ATOM 524 C ALA A 324 -6.169 -2.949 1.170 1.00 0.00 C ATOM 525 O ALA A 324 -5.178 -2.599 0.529 1.00 0.00 O ATOM 526 CB ALA A 324 -7.502 -1.111 0.127 1.00 0.00 C ATOM 0 H ALA A 324 -6.799 -0.248 2.371 1.00 0.00 H new ATOM 0 HA ALA A 324 -8.258 -2.582 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.652 -1.732 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.364 -0.457 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.604 -0.507 -0.002 1.00 0.00 H new ATOM 532 N LEU A 325 -6.266 -4.132 1.773 1.00 0.00 N ATOM 533 CA LEU A 325 -5.189 -5.114 1.711 1.00 0.00 C ATOM 534 C LEU A 325 -4.722 -5.387 0.292 1.00 0.00 C ATOM 535 O LEU A 325 -5.106 -6.380 -0.325 1.00 0.00 O ATOM 536 CB LEU A 325 -5.589 -6.410 2.407 1.00 0.00 C ATOM 537 CG LEU A 325 -4.401 -7.220 2.907 1.00 0.00 C ATOM 538 CD1 LEU A 325 -3.765 -6.499 4.074 1.00 0.00 C ATOM 539 CD2 LEU A 325 -4.821 -8.630 3.292 1.00 0.00 C ATOM 0 H LEU A 325 -7.080 -4.432 2.310 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.343 -4.679 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.240 -6.175 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -6.170 -7.020 1.716 1.00 0.00 H new ATOM 0 HG LEU A 325 -3.669 -7.314 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -2.913 -7.074 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -3.427 -5.514 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -4.496 -6.388 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -3.952 -9.185 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -5.568 -8.584 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -5.244 -9.134 2.423 1.00 0.00 H new ATOM 551 N ARG A 326 -3.849 -4.499 -0.185 1.00 0.00 N ATOM 552 CA ARG A 326 -3.247 -4.597 -1.513 1.00 0.00 C ATOM 553 C ARG A 326 -4.180 -5.259 -2.537 1.00 0.00 C ATOM 554 O ARG A 326 -5.394 -5.319 -2.343 1.00 0.00 O ATOM 555 CB ARG A 326 -1.937 -5.372 -1.387 1.00 0.00 C ATOM 556 CG ARG A 326 -0.867 -4.950 -2.377 1.00 0.00 C ATOM 557 CD ARG A 326 0.330 -4.345 -1.668 1.00 0.00 C ATOM 558 NE ARG A 326 1.397 -4.001 -2.601 1.00 0.00 N ATOM 559 CZ ARG A 326 2.556 -4.655 -2.692 1.00 0.00 C ATOM 560 NH1 ARG A 326 2.805 -5.703 -1.915 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.468 -4.261 -3.569 1.00 0.00 N ATOM 0 H ARG A 326 -3.538 -3.685 0.345 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.060 -3.591 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -1.550 -5.247 -0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -2.142 -6.434 -1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -0.548 -5.813 -2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.282 -4.226 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 326 0.018 -3.451 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.708 -5.050 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 326 1.247 -3.208 -3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.107 -6.015 -1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 326 3.695 -6.196 -1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 326 3.283 -3.460 -4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.355 -4.759 -3.641 1.00 0.00 H new ATOM 575 N GLU A 327 -3.602 -5.746 -3.631 1.00 0.00 N ATOM 576 CA GLU A 327 -4.375 -6.399 -4.684 1.00 0.00 C ATOM 577 C GLU A 327 -3.466 -7.222 -5.595 1.00 0.00 C ATOM 578 O GLU A 327 -3.792 -7.468 -6.756 1.00 0.00 O ATOM 579 CB GLU A 327 -5.142 -5.358 -5.504 1.00 0.00 C ATOM 580 CG GLU A 327 -6.627 -5.660 -5.633 1.00 0.00 C ATOM 581 CD GLU A 327 -7.169 -5.338 -7.012 1.00 0.00 C ATOM 582 OE1 GLU A 327 -6.640 -5.890 -8.001 1.00 0.00 O ATOM 583 OE2 GLU A 327 -8.121 -4.536 -7.104 1.00 0.00 O ATOM 0 H GLU A 327 -2.599 -5.701 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 327 -5.090 -7.074 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -5.017 -4.379 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -4.704 -5.297 -6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -6.800 -6.714 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -7.177 -5.086 -4.887 1.00 0.00 H new ATOM 590 N ASN A 328 -2.328 -7.646 -5.054 1.00 0.00 N ATOM 591 CA ASN A 328 -1.363 -8.443 -5.801 1.00 0.00 C ATOM 592 C ASN A 328 -0.153 -8.764 -4.928 1.00 0.00 C ATOM 593 O ASN A 328 0.955 -8.291 -5.185 1.00 0.00 O ATOM 594 CB ASN A 328 -0.915 -7.701 -7.063 1.00 0.00 C ATOM 595 CG ASN A 328 -0.538 -8.647 -8.186 1.00 0.00 C ATOM 596 OD1 ASN A 328 0.635 -8.779 -8.534 1.00 0.00 O ATOM 597 ND2 ASN A 328 -1.535 -9.310 -8.759 1.00 0.00 N ATOM 0 H ASN A 328 -2.051 -7.448 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 328 -1.844 -9.376 -6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -1.717 -7.044 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 328 -0.062 -7.066 -6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -1.343 -9.961 -9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 328 -2.493 -9.169 -8.437 1.00 0.00 H new ATOM 604 N TRP A 329 -0.371 -9.570 -3.892 1.00 0.00 N ATOM 605 CA TRP A 329 0.707 -9.948 -2.982 1.00 0.00 C ATOM 606 C TRP A 329 1.208 -11.353 -3.291 1.00 0.00 C ATOM 607 O TRP A 329 2.366 -11.546 -3.663 1.00 0.00 O ATOM 608 CB TRP A 329 0.270 -9.863 -1.505 1.00 0.00 C ATOM 609 CG TRP A 329 -1.206 -9.681 -1.292 1.00 0.00 C ATOM 610 CD1 TRP A 329 -1.996 -8.714 -1.837 1.00 0.00 C ATOM 611 CD2 TRP A 329 -2.064 -10.474 -0.460 1.00 0.00 C ATOM 612 NE1 TRP A 329 -3.291 -8.860 -1.408 1.00 0.00 N ATOM 613 CE2 TRP A 329 -3.360 -9.934 -0.562 1.00 0.00 C ATOM 614 CE3 TRP A 329 -1.864 -11.591 0.355 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -4.447 -10.471 0.121 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -2.944 -12.124 1.034 1.00 0.00 C ATOM 617 CH2 TRP A 329 -4.222 -11.564 0.912 1.00 0.00 C ATOM 0 H TRP A 329 -1.280 -9.972 -3.662 1.00 0.00 H new ATOM 0 HA TRP A 329 1.518 -9.236 -3.136 1.00 0.00 H new ATOM 0 HB2 TRP A 329 0.587 -10.773 -0.995 1.00 0.00 H new ATOM 0 HB3 TRP A 329 0.796 -9.033 -1.033 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.652 -7.943 -2.510 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -4.075 -8.265 -1.676 1.00 0.00 H new ATOM 0 HE3 TRP A 329 -0.882 -12.031 0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -5.433 -10.040 0.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -2.800 -12.986 1.669 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -5.046 -12.004 1.453 1.00 0.00 H new ATOM 628 N LEU A 330 0.326 -12.329 -3.133 1.00 0.00 N ATOM 629 CA LEU A 330 0.676 -13.723 -3.396 1.00 0.00 C ATOM 630 C LEU A 330 0.559 -14.041 -4.886 1.00 0.00 C ATOM 631 O LEU A 330 -0.446 -13.719 -5.519 1.00 0.00 O ATOM 632 CB LEU A 330 -0.211 -14.682 -2.587 1.00 0.00 C ATOM 633 CG LEU A 330 -1.588 -14.144 -2.201 1.00 0.00 C ATOM 634 CD1 LEU A 330 -2.397 -13.801 -3.442 1.00 0.00 C ATOM 635 CD2 LEU A 330 -2.332 -15.154 -1.340 1.00 0.00 C ATOM 0 H LEU A 330 -0.636 -12.185 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 330 1.711 -13.864 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 330 -0.347 -15.596 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 330 0.320 -14.957 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 330 -1.450 -13.232 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -3.374 -13.420 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -1.871 -13.041 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -2.526 -14.696 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -3.311 -14.755 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -2.458 -16.083 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 330 -1.761 -15.349 -0.432 1.00 0.00 H new ATOM 647 N PRO A 331 1.591 -14.680 -5.470 1.00 0.00 N ATOM 648 CA PRO A 331 1.596 -15.037 -6.892 1.00 0.00 C ATOM 649 C PRO A 331 0.697 -16.233 -7.204 1.00 0.00 C ATOM 650 O PRO A 331 0.550 -16.620 -8.363 1.00 0.00 O ATOM 651 CB PRO A 331 3.059 -15.387 -7.157 1.00 0.00 C ATOM 652 CG PRO A 331 3.569 -15.881 -5.849 1.00 0.00 C ATOM 653 CD PRO A 331 2.834 -15.103 -4.792 1.00 0.00 C ATOM 0 HA PRO A 331 1.211 -14.229 -7.515 1.00 0.00 H new ATOM 0 HB2 PRO A 331 3.151 -16.149 -7.931 1.00 0.00 H new ATOM 0 HB3 PRO A 331 3.619 -14.517 -7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 331 3.390 -16.951 -5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 331 4.645 -15.728 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 331 2.624 -15.717 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 331 3.414 -14.247 -4.449 1.00 0.00 H new ATOM 661 N GLU A 332 0.099 -16.816 -6.167 1.00 0.00 N ATOM 662 CA GLU A 332 -0.782 -17.967 -6.341 1.00 0.00 C ATOM 663 C GLU A 332 -1.892 -17.660 -7.342 1.00 0.00 C ATOM 664 O GLU A 332 -2.054 -16.518 -7.774 1.00 0.00 O ATOM 665 CB GLU A 332 -1.389 -18.378 -4.999 1.00 0.00 C ATOM 666 CG GLU A 332 -0.361 -18.527 -3.887 1.00 0.00 C ATOM 667 CD GLU A 332 -0.204 -19.963 -3.426 1.00 0.00 C ATOM 668 OE1 GLU A 332 -1.187 -20.727 -3.515 1.00 0.00 O ATOM 669 OE2 GLU A 332 0.905 -20.322 -2.974 1.00 0.00 O ATOM 0 H GLU A 332 0.209 -16.511 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 332 -0.186 -18.792 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -2.129 -17.635 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -1.918 -19.323 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 332 0.602 -18.154 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -0.655 -17.908 -3.040 1.00 0.00 H new ATOM 676 N ASP A 333 -2.655 -18.686 -7.707 1.00 0.00 N ATOM 677 CA ASP A 333 -3.749 -18.526 -8.657 1.00 0.00 C ATOM 678 C ASP A 333 -3.226 -18.069 -10.016 1.00 0.00 C ATOM 679 O ASP A 333 -3.243 -16.880 -10.331 1.00 0.00 O ATOM 680 CB ASP A 333 -4.774 -17.522 -8.125 1.00 0.00 C ATOM 681 CG ASP A 333 -6.201 -17.964 -8.376 1.00 0.00 C ATOM 682 OD1 ASP A 333 -6.441 -18.644 -9.396 1.00 0.00 O ATOM 683 OD2 ASP A 333 -7.080 -17.632 -7.554 1.00 0.00 O ATOM 0 H ASP A 333 -2.535 -19.637 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 333 -4.234 -19.494 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -4.622 -17.385 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -4.608 -16.554 -8.597 1.00 0.00 H new ATOM 688 N LYS A 334 -2.761 -19.023 -10.816 1.00 0.00 N ATOM 689 CA LYS A 334 -2.231 -18.720 -12.140 1.00 0.00 C ATOM 690 C LYS A 334 -2.712 -19.741 -13.166 1.00 0.00 C ATOM 691 O LYS A 334 -2.195 -20.856 -13.235 1.00 0.00 O ATOM 692 CB LYS A 334 -0.702 -18.695 -12.106 1.00 0.00 C ATOM 693 CG LYS A 334 -0.089 -17.630 -13.000 1.00 0.00 C ATOM 694 CD LYS A 334 1.396 -17.868 -13.213 1.00 0.00 C ATOM 695 CE LYS A 334 1.838 -17.434 -14.601 1.00 0.00 C ATOM 696 NZ LYS A 334 3.292 -17.667 -14.819 1.00 0.00 N ATOM 0 H LYS A 334 -2.741 -20.013 -10.570 1.00 0.00 H new ATOM 0 HA LYS A 334 -2.597 -17.737 -12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -0.373 -18.529 -11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -0.325 -19.672 -12.408 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -0.599 -17.624 -13.963 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -0.241 -16.647 -12.553 1.00 0.00 H new ATOM 0 HD2 LYS A 334 1.964 -17.320 -12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 334 1.619 -18.926 -13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 334 1.266 -17.980 -15.351 1.00 0.00 H new ATOM 0 HE3 LYS A 334 1.615 -16.376 -14.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 3.553 -17.358 -15.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 3.839 -17.126 -14.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 3.501 -18.680 -14.713 1.00 0.00 H new ATOM 710 N GLY A 335 -3.704 -19.353 -13.961 1.00 0.00 N ATOM 711 CA GLY A 335 -4.237 -20.246 -14.972 1.00 0.00 C ATOM 712 C GLY A 335 -5.227 -19.558 -15.890 1.00 0.00 C ATOM 713 O GLY A 335 -4.927 -18.438 -16.355 1.00 0.00 O ATOM 714 OXT GLY A 335 -6.303 -20.139 -16.145 1.00 0.00 O ATOM 0 H GLY A 335 -4.148 -18.436 -13.923 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -3.416 -20.649 -15.565 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -4.724 -21.091 -14.485 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.389 3.084 0.717 1.00 0.00 ZN