USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=10 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 Set 1.1: A 312 ASN : amide:sc= -0.786 K(o=-0.79,f=-6!) USER MOD Set 1.2: A 320 ASN : amide:sc= 0 X(o=-0.79,f=-0.79) USER MOD Set 2.1: A 304 LYS NZ :NH3+ -116:sc= 0.663 (180deg=0) USER MOD Set 2.2: A 309 ASN : amide:sc= 0.334 K(o=1,f=-1.3) USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 180:sc= 0 USER MOD Single : A 302 TYR OH : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot -91:sc= 0.0363 USER MOD Single : A 307 SER OG : rot 180:sc= 0 USER MOD Single : A 311 MET CE :methyl 157:sc= -3.38! (180deg=-4.61!) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 318 HIS :FLIP no HD1:sc= -9.78! C(o=-11!,f=-9.8!) USER MOD Single : A 328 ASN : amide:sc= -0.181 K(o=-0.18,f=-3.2!) USER MOD Single : A 334 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 31.471 2.701 -6.644 1.00 0.00 N ATOM 2 CA SER A 290 30.072 2.288 -6.931 1.00 0.00 C ATOM 3 C SER A 290 29.450 3.165 -8.013 1.00 0.00 C ATOM 4 O SER A 290 30.073 4.110 -8.493 1.00 0.00 O ATOM 5 CB SER A 290 29.260 2.389 -5.638 1.00 0.00 C ATOM 6 OG SER A 290 28.104 1.571 -5.697 1.00 0.00 O ATOM 0 HA SER A 290 30.069 1.262 -7.298 1.00 0.00 H new ATOM 0 HB2 SER A 290 29.879 2.089 -4.792 1.00 0.00 H new ATOM 0 HB3 SER A 290 28.968 3.425 -5.468 1.00 0.00 H new ATOM 0 HG SER A 290 27.603 1.652 -4.859 1.00 0.00 H new ATOM 14 N PHE A 291 28.218 2.841 -8.392 1.00 0.00 N ATOM 15 CA PHE A 291 27.511 3.599 -9.419 1.00 0.00 C ATOM 16 C PHE A 291 26.145 4.054 -8.919 1.00 0.00 C ATOM 17 O PHE A 291 25.748 5.202 -9.119 1.00 0.00 O ATOM 18 CB PHE A 291 27.353 2.754 -10.685 1.00 0.00 C ATOM 19 CG PHE A 291 27.843 3.439 -11.928 1.00 0.00 C ATOM 20 CD1 PHE A 291 27.258 4.617 -12.364 1.00 0.00 C ATOM 21 CD2 PHE A 291 28.891 2.905 -12.662 1.00 0.00 C ATOM 22 CE1 PHE A 291 27.708 5.250 -13.507 1.00 0.00 C ATOM 23 CE2 PHE A 291 29.345 3.533 -13.806 1.00 0.00 C ATOM 24 CZ PHE A 291 28.753 4.707 -14.229 1.00 0.00 C ATOM 0 H PHE A 291 27.689 2.060 -8.004 1.00 0.00 H new ATOM 0 HA PHE A 291 28.101 4.485 -9.653 1.00 0.00 H new ATOM 0 HB2 PHE A 291 27.897 1.818 -10.557 1.00 0.00 H new ATOM 0 HB3 PHE A 291 26.301 2.497 -10.812 1.00 0.00 H new ATOM 0 HD1 PHE A 291 26.440 5.046 -11.804 1.00 0.00 H new ATOM 0 HD2 PHE A 291 29.358 1.987 -12.336 1.00 0.00 H new ATOM 0 HE1 PHE A 291 27.243 6.168 -13.835 1.00 0.00 H new ATOM 0 HE2 PHE A 291 30.162 3.106 -14.369 1.00 0.00 H new ATOM 0 HZ PHE A 291 29.107 5.200 -15.123 1.00 0.00 H new ATOM 34 N GLU A 292 25.430 3.145 -8.267 1.00 0.00 N ATOM 35 CA GLU A 292 24.106 3.448 -7.735 1.00 0.00 C ATOM 36 C GLU A 292 23.886 2.758 -6.393 1.00 0.00 C ATOM 37 O GLU A 292 23.906 1.530 -6.305 1.00 0.00 O ATOM 38 CB GLU A 292 23.024 3.015 -8.728 1.00 0.00 C ATOM 39 CG GLU A 292 22.922 3.915 -9.948 1.00 0.00 C ATOM 40 CD GLU A 292 21.759 4.885 -9.861 1.00 0.00 C ATOM 41 OE1 GLU A 292 20.629 4.490 -10.217 1.00 0.00 O ATOM 42 OE2 GLU A 292 21.978 6.039 -9.437 1.00 0.00 O ATOM 0 H GLU A 292 25.745 2.190 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 292 24.041 4.525 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 292 23.230 1.996 -9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 292 22.061 2.998 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 292 23.850 4.475 -10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 292 22.811 3.300 -10.841 1.00 0.00 H new ATOM 49 N GLU A 293 23.677 3.555 -5.350 1.00 0.00 N ATOM 50 CA GLU A 293 23.454 3.021 -4.013 1.00 0.00 C ATOM 51 C GLU A 293 22.214 2.132 -3.983 1.00 0.00 C ATOM 52 O GLU A 293 21.152 2.513 -4.476 1.00 0.00 O ATOM 53 CB GLU A 293 23.303 4.160 -3.003 1.00 0.00 C ATOM 54 CG GLU A 293 24.617 4.587 -2.367 1.00 0.00 C ATOM 55 CD GLU A 293 24.755 4.104 -0.937 1.00 0.00 C ATOM 56 OE1 GLU A 293 23.743 4.116 -0.205 1.00 0.00 O ATOM 57 OE2 GLU A 293 25.876 3.712 -0.548 1.00 0.00 O ATOM 0 H GLU A 293 23.658 4.573 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 293 24.320 2.417 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 293 22.854 5.019 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 293 22.613 3.850 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 293 25.446 4.200 -2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 293 24.691 5.674 -2.388 1.00 0.00 H new ATOM 64 N ASP A 294 22.358 0.946 -3.401 1.00 0.00 N ATOM 65 CA ASP A 294 21.250 0.002 -3.306 1.00 0.00 C ATOM 66 C ASP A 294 20.600 0.059 -1.925 1.00 0.00 C ATOM 67 O ASP A 294 21.099 -0.543 -0.974 1.00 0.00 O ATOM 68 CB ASP A 294 21.740 -1.419 -3.593 1.00 0.00 C ATOM 69 CG ASP A 294 22.408 -1.538 -4.949 1.00 0.00 C ATOM 70 OD1 ASP A 294 23.436 -0.862 -5.165 1.00 0.00 O ATOM 71 OD2 ASP A 294 21.904 -2.307 -5.794 1.00 0.00 O ATOM 0 H ASP A 294 23.230 0.616 -2.988 1.00 0.00 H new ATOM 0 HA ASP A 294 20.503 0.281 -4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 294 22.443 -1.721 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 294 20.897 -2.108 -3.545 1.00 0.00 H new ATOM 76 N PRO A 295 19.474 0.785 -1.793 1.00 0.00 N ATOM 77 CA PRO A 295 18.765 0.911 -0.514 1.00 0.00 C ATOM 78 C PRO A 295 18.140 -0.406 -0.068 1.00 0.00 C ATOM 79 O PRO A 295 18.120 -1.381 -0.818 1.00 0.00 O ATOM 80 CB PRO A 295 17.679 1.950 -0.806 1.00 0.00 C ATOM 81 CG PRO A 295 17.468 1.876 -2.279 1.00 0.00 C ATOM 82 CD PRO A 295 18.807 1.536 -2.872 1.00 0.00 C ATOM 0 HA PRO A 295 19.435 1.197 0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 295 16.761 1.726 -0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 295 17.994 2.948 -0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 295 16.726 1.118 -2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 295 17.098 2.824 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 295 18.706 0.936 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 295 19.366 2.431 -3.144 1.00 0.00 H new ATOM 90 N GLU A 296 17.630 -0.427 1.161 1.00 0.00 N ATOM 91 CA GLU A 296 17.005 -1.625 1.708 1.00 0.00 C ATOM 92 C GLU A 296 15.510 -1.648 1.407 1.00 0.00 C ATOM 93 O GLU A 296 14.945 -2.698 1.097 1.00 0.00 O ATOM 94 CB GLU A 296 17.234 -1.700 3.219 1.00 0.00 C ATOM 95 CG GLU A 296 18.693 -1.885 3.605 1.00 0.00 C ATOM 96 CD GLU A 296 18.896 -3.010 4.601 1.00 0.00 C ATOM 97 OE1 GLU A 296 17.929 -3.354 5.313 1.00 0.00 O ATOM 98 OE2 GLU A 296 20.021 -3.546 4.671 1.00 0.00 O ATOM 0 H GLU A 296 17.638 0.372 1.795 1.00 0.00 H new ATOM 0 HA GLU A 296 17.465 -2.492 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 296 16.858 -0.787 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 296 16.652 -2.527 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 296 19.279 -2.089 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 296 19.073 -0.956 4.030 1.00 0.00 H new ATOM 105 N ILE A 297 14.877 -0.486 1.500 1.00 0.00 N ATOM 106 CA ILE A 297 13.448 -0.371 1.239 1.00 0.00 C ATOM 107 C ILE A 297 13.107 0.986 0.633 1.00 0.00 C ATOM 108 O ILE A 297 12.785 1.087 -0.550 1.00 0.00 O ATOM 109 CB ILE A 297 12.622 -0.577 2.526 1.00 0.00 C ATOM 110 CG1 ILE A 297 12.953 -1.930 3.157 1.00 0.00 C ATOM 111 CG2 ILE A 297 11.132 -0.475 2.228 1.00 0.00 C ATOM 112 CD1 ILE A 297 12.200 -2.201 4.442 1.00 0.00 C ATOM 0 H ILE A 297 15.331 0.391 1.754 1.00 0.00 H new ATOM 0 HA ILE A 297 13.191 -1.155 0.527 1.00 0.00 H new ATOM 0 HB ILE A 297 12.882 0.209 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 297 12.728 -2.720 2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 297 14.024 -1.976 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 297 10.566 -0.623 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.909 0.511 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.853 -1.240 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 297 12.485 -3.178 4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 297 12.444 -1.432 5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 297 11.128 -2.188 4.245 1.00 0.00 H new ATOM 124 N SER A 298 13.179 2.024 1.455 1.00 0.00 N ATOM 125 CA SER A 298 12.877 3.379 1.008 1.00 0.00 C ATOM 126 C SER A 298 11.420 3.495 0.570 1.00 0.00 C ATOM 127 O SER A 298 10.686 2.507 0.552 1.00 0.00 O ATOM 128 CB SER A 298 13.802 3.778 -0.144 1.00 0.00 C ATOM 129 OG SER A 298 14.253 5.114 0.003 1.00 0.00 O ATOM 0 H SER A 298 13.444 1.954 2.437 1.00 0.00 H new ATOM 0 HA SER A 298 13.041 4.056 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 298 14.658 3.104 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.274 3.671 -1.092 1.00 0.00 H new ATOM 0 HG SER A 298 14.844 5.344 -0.744 1.00 0.00 H new ATOM 135 N LEU A 299 11.009 4.709 0.220 1.00 0.00 N ATOM 136 CA LEU A 299 9.639 4.958 -0.217 1.00 0.00 C ATOM 137 C LEU A 299 9.393 4.395 -1.616 1.00 0.00 C ATOM 138 O LEU A 299 8.249 4.177 -2.015 1.00 0.00 O ATOM 139 CB LEU A 299 9.347 6.459 -0.204 1.00 0.00 C ATOM 140 CG LEU A 299 9.353 7.109 1.183 1.00 0.00 C ATOM 141 CD1 LEU A 299 10.019 8.476 1.130 1.00 0.00 C ATOM 142 CD2 LEU A 299 7.936 7.224 1.724 1.00 0.00 C ATOM 0 H LEU A 299 11.605 5.537 0.230 1.00 0.00 H new ATOM 0 HA LEU A 299 8.968 4.452 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.086 6.963 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 299 8.373 6.628 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 299 9.928 6.475 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 299 10.014 8.922 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 299 11.048 8.366 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 299 9.473 9.120 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 299 7.960 7.688 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 299 7.337 7.836 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 299 7.494 6.231 1.801 1.00 0.00 H new ATOM 154 N ALA A 300 10.472 4.168 -2.358 1.00 0.00 N ATOM 155 CA ALA A 300 10.375 3.641 -3.714 1.00 0.00 C ATOM 156 C ALA A 300 9.776 2.238 -3.733 1.00 0.00 C ATOM 157 O ALA A 300 9.153 1.835 -4.716 1.00 0.00 O ATOM 158 CB ALA A 300 11.745 3.639 -4.374 1.00 0.00 C ATOM 0 H ALA A 300 11.426 4.341 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 300 9.706 4.292 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.661 3.243 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.131 4.657 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.426 3.015 -3.796 1.00 0.00 H new ATOM 164 N ASP A 301 9.974 1.496 -2.650 1.00 0.00 N ATOM 165 CA ASP A 301 9.456 0.135 -2.555 1.00 0.00 C ATOM 166 C ASP A 301 7.973 0.120 -2.183 1.00 0.00 C ATOM 167 O ASP A 301 7.329 -0.929 -2.222 1.00 0.00 O ATOM 168 CB ASP A 301 10.256 -0.663 -1.524 1.00 0.00 C ATOM 169 CG ASP A 301 11.582 -1.151 -2.075 1.00 0.00 C ATOM 170 OD1 ASP A 301 12.367 -0.312 -2.566 1.00 0.00 O ATOM 171 OD2 ASP A 301 11.835 -2.373 -2.015 1.00 0.00 O ATOM 0 H ASP A 301 10.488 1.812 -1.827 1.00 0.00 H new ATOM 0 HA ASP A 301 9.562 -0.327 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.436 -0.041 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.666 -1.518 -1.193 1.00 0.00 H new ATOM 176 N TYR A 302 7.435 1.281 -1.817 1.00 0.00 N ATOM 177 CA TYR A 302 6.033 1.385 -1.436 1.00 0.00 C ATOM 178 C TYR A 302 5.118 0.897 -2.547 1.00 0.00 C ATOM 179 O TYR A 302 5.574 0.564 -3.640 1.00 0.00 O ATOM 180 CB TYR A 302 5.688 2.833 -1.105 1.00 0.00 C ATOM 181 CG TYR A 302 6.143 3.245 0.267 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.308 2.722 0.804 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.410 4.144 1.030 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.736 3.075 2.056 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.834 4.509 2.293 1.00 0.00 C ATOM 186 CZ TYR A 302 6.999 3.970 2.804 1.00 0.00 C ATOM 187 OH TYR A 302 7.426 4.329 4.061 1.00 0.00 O ATOM 0 H TYR A 302 7.950 2.161 -1.777 1.00 0.00 H new ATOM 0 HA TYR A 302 5.881 0.755 -0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.146 3.488 -1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.609 2.970 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.890 2.022 0.224 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.498 4.563 0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.647 2.655 2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.258 5.211 2.877 1.00 0.00 H new ATOM 0 HH TYR A 302 6.794 4.968 4.451 1.00 0.00 H new ATOM 197 N TRP A 303 3.819 0.887 -2.271 1.00 0.00 N ATOM 198 CA TRP A 303 2.843 0.473 -3.265 1.00 0.00 C ATOM 199 C TRP A 303 1.685 1.456 -3.319 1.00 0.00 C ATOM 200 O TRP A 303 1.509 2.278 -2.417 1.00 0.00 O ATOM 201 CB TRP A 303 2.328 -0.945 -3.006 1.00 0.00 C ATOM 202 CG TRP A 303 1.860 -1.207 -1.603 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.599 -1.695 -0.559 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.531 -1.025 -1.103 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.804 -1.827 0.560 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.531 -1.421 0.248 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.662 -0.563 -1.668 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.619 -1.372 1.036 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -1.797 -0.513 -0.881 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.768 -0.916 0.456 1.00 0.00 C ATOM 0 H TRP A 303 3.422 1.160 -1.372 1.00 0.00 H new ATOM 0 HA TRP A 303 3.347 0.467 -4.231 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.504 -1.146 -3.691 1.00 0.00 H new ATOM 0 HB3 TRP A 303 3.122 -1.653 -3.246 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.650 -1.940 -0.605 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.112 -2.170 1.470 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -0.696 -0.251 -2.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.601 -1.684 2.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -2.723 -0.156 -1.307 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.673 -0.866 1.043 1.00 0.00 H new ATOM 221 N LYS A 304 0.912 1.373 -4.391 1.00 0.00 N ATOM 222 CA LYS A 304 -0.223 2.267 -4.583 1.00 0.00 C ATOM 223 C LYS A 304 -1.544 1.561 -4.309 1.00 0.00 C ATOM 224 O LYS A 304 -1.906 0.604 -4.994 1.00 0.00 O ATOM 225 CB LYS A 304 -0.226 2.834 -6.004 1.00 0.00 C ATOM 226 CG LYS A 304 -1.353 3.825 -6.259 1.00 0.00 C ATOM 227 CD LYS A 304 -0.880 5.260 -6.086 1.00 0.00 C ATOM 228 CE LYS A 304 0.053 5.681 -7.210 1.00 0.00 C ATOM 229 NZ LYS A 304 -0.646 6.508 -8.231 1.00 0.00 N ATOM 0 H LYS A 304 1.049 0.696 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.118 3.084 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.729 3.325 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -0.308 2.012 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -1.739 3.687 -7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.176 3.626 -5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.742 5.927 -6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -0.367 5.362 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 304 0.889 6.245 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 304 0.472 4.794 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 -0.653 6.004 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 -1.624 6.684 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -0.149 7.415 -8.342 1.00 0.00 H new ATOM 243 N CYS A 305 -2.263 2.052 -3.310 1.00 0.00 N ATOM 244 CA CYS A 305 -3.554 1.485 -2.943 1.00 0.00 C ATOM 245 C CYS A 305 -4.573 1.723 -4.058 1.00 0.00 C ATOM 246 O CYS A 305 -4.821 2.859 -4.456 1.00 0.00 O ATOM 247 CB CYS A 305 -4.017 2.088 -1.613 1.00 0.00 C ATOM 248 SG CYS A 305 -5.720 1.707 -1.151 1.00 0.00 S ATOM 0 H CYS A 305 -1.974 2.845 -2.737 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.459 0.407 -2.813 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.355 1.736 -0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -3.904 3.171 -1.664 1.00 0.00 H new ATOM 254 N THR A 306 -5.135 0.634 -4.576 1.00 0.00 N ATOM 255 CA THR A 306 -6.101 0.705 -5.674 1.00 0.00 C ATOM 256 C THR A 306 -7.426 1.342 -5.256 1.00 0.00 C ATOM 257 O THR A 306 -8.285 1.599 -6.098 1.00 0.00 O ATOM 258 CB THR A 306 -6.357 -0.694 -6.236 1.00 0.00 C ATOM 259 OG1 THR A 306 -6.487 -1.639 -5.190 1.00 0.00 O ATOM 260 CG2 THR A 306 -5.258 -1.179 -7.158 1.00 0.00 C ATOM 0 H THR A 306 -4.938 -0.313 -4.253 1.00 0.00 H new ATOM 0 HA THR A 306 -5.663 1.344 -6.441 1.00 0.00 H new ATOM 0 HB THR A 306 -7.280 -0.610 -6.809 1.00 0.00 H new ATOM 0 HG1 THR A 306 -5.610 -2.026 -4.988 1.00 0.00 H new ATOM 0 HG21 THR A 306 -5.502 -2.177 -7.521 1.00 0.00 H new ATOM 0 HG22 THR A 306 -5.165 -0.498 -8.004 1.00 0.00 H new ATOM 0 HG23 THR A 306 -4.314 -1.212 -6.613 1.00 0.00 H new ATOM 268 N SER A 307 -7.598 1.590 -3.965 1.00 0.00 N ATOM 269 CA SER A 307 -8.829 2.188 -3.469 1.00 0.00 C ATOM 270 C SER A 307 -8.765 3.710 -3.512 1.00 0.00 C ATOM 271 O SER A 307 -9.384 4.343 -4.367 1.00 0.00 O ATOM 272 CB SER A 307 -9.119 1.716 -2.042 1.00 0.00 C ATOM 273 OG SER A 307 -10.358 2.221 -1.578 1.00 0.00 O ATOM 0 H SER A 307 -6.904 1.387 -3.245 1.00 0.00 H new ATOM 0 HA SER A 307 -9.639 1.864 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 307 -9.133 0.626 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 307 -8.318 2.043 -1.378 1.00 0.00 H new ATOM 0 HG SER A 307 -10.520 1.903 -0.665 1.00 0.00 H new ATOM 279 N CYS A 308 -8.021 4.290 -2.581 1.00 0.00 N ATOM 280 CA CYS A 308 -7.888 5.744 -2.509 1.00 0.00 C ATOM 281 C CYS A 308 -6.619 6.246 -3.200 1.00 0.00 C ATOM 282 O CYS A 308 -6.362 7.450 -3.228 1.00 0.00 O ATOM 283 CB CYS A 308 -7.913 6.216 -1.052 1.00 0.00 C ATOM 284 SG CYS A 308 -6.879 5.247 0.068 1.00 0.00 S ATOM 0 H CYS A 308 -7.501 3.781 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 308 -8.741 6.167 -3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -7.590 7.257 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.941 6.188 -0.692 1.00 0.00 H new ATOM 290 N ASN A 309 -5.824 5.333 -3.756 1.00 0.00 N ATOM 291 CA ASN A 309 -4.591 5.715 -4.440 1.00 0.00 C ATOM 292 C ASN A 309 -3.550 6.219 -3.444 1.00 0.00 C ATOM 293 O ASN A 309 -2.711 7.054 -3.780 1.00 0.00 O ATOM 294 CB ASN A 309 -4.873 6.793 -5.492 1.00 0.00 C ATOM 295 CG ASN A 309 -4.313 6.430 -6.853 1.00 0.00 C ATOM 296 OD1 ASN A 309 -3.440 7.117 -7.382 1.00 0.00 O ATOM 297 ND2 ASN A 309 -4.815 5.345 -7.430 1.00 0.00 N ATOM 0 H ASN A 309 -6.010 4.330 -3.746 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.194 4.830 -4.938 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -5.949 6.945 -5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.441 7.739 -5.165 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -4.478 5.053 -8.347 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -5.538 4.804 -6.956 1.00 0.00 H new ATOM 304 N GLU A 310 -3.608 5.704 -2.219 1.00 0.00 N ATOM 305 CA GLU A 310 -2.664 6.101 -1.181 1.00 0.00 C ATOM 306 C GLU A 310 -1.362 5.326 -1.315 1.00 0.00 C ATOM 307 O GLU A 310 -1.324 4.260 -1.928 1.00 0.00 O ATOM 308 CB GLU A 310 -3.262 5.864 0.207 1.00 0.00 C ATOM 309 CG GLU A 310 -2.827 6.889 1.242 1.00 0.00 C ATOM 310 CD GLU A 310 -3.745 8.094 1.290 1.00 0.00 C ATOM 311 OE1 GLU A 310 -4.292 8.466 0.230 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.918 8.666 2.387 1.00 0.00 O ATOM 0 H GLU A 310 -4.297 5.013 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.457 7.164 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.349 5.876 0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.977 4.870 0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.799 6.418 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.812 7.218 1.018 1.00 0.00 H new ATOM 319 N MET A 311 -0.297 5.860 -0.733 1.00 0.00 N ATOM 320 CA MET A 311 0.999 5.207 -0.784 1.00 0.00 C ATOM 321 C MET A 311 1.273 4.487 0.529 1.00 0.00 C ATOM 322 O MET A 311 0.975 5.005 1.605 1.00 0.00 O ATOM 323 CB MET A 311 2.101 6.229 -1.070 1.00 0.00 C ATOM 324 CG MET A 311 2.094 6.744 -2.501 1.00 0.00 C ATOM 325 SD MET A 311 3.691 6.563 -3.320 1.00 0.00 S ATOM 326 CE MET A 311 4.080 4.860 -2.930 1.00 0.00 C ATOM 0 H MET A 311 -0.307 6.742 -0.221 1.00 0.00 H new ATOM 0 HA MET A 311 0.990 4.475 -1.591 1.00 0.00 H new ATOM 0 HB2 MET A 311 1.989 7.072 -0.388 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.070 5.775 -0.860 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.336 6.207 -3.071 1.00 0.00 H new ATOM 0 HG3 MET A 311 1.808 7.796 -2.502 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.787 4.471 -3.663 1.00 0.00 H new ATOM 0 HE2 MET A 311 4.523 4.806 -1.935 1.00 0.00 H new ATOM 0 HE3 MET A 311 3.168 4.264 -2.954 1.00 0.00 H new ATOM 336 N ASN A 312 1.827 3.288 0.437 1.00 0.00 N ATOM 337 CA ASN A 312 2.121 2.495 1.623 1.00 0.00 C ATOM 338 C ASN A 312 3.441 1.751 1.467 1.00 0.00 C ATOM 339 O ASN A 312 3.870 1.467 0.351 1.00 0.00 O ATOM 340 CB ASN A 312 0.995 1.495 1.867 1.00 0.00 C ATOM 341 CG ASN A 312 -0.356 2.167 2.022 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.721 2.610 3.111 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.107 2.248 0.927 1.00 0.00 N ATOM 0 H ASN A 312 2.082 2.842 -0.444 1.00 0.00 H new ATOM 0 HA ASN A 312 2.204 3.170 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.953 0.790 1.037 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.215 0.917 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -2.025 2.691 0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -0.765 1.867 0.045 1.00 0.00 H new ATOM 350 N PRO A 313 4.103 1.412 2.584 1.00 0.00 N ATOM 351 CA PRO A 313 5.369 0.691 2.546 1.00 0.00 C ATOM 352 C PRO A 313 5.170 -0.796 2.293 1.00 0.00 C ATOM 353 O PRO A 313 4.041 -1.282 2.248 1.00 0.00 O ATOM 354 CB PRO A 313 5.950 0.932 3.934 1.00 0.00 C ATOM 355 CG PRO A 313 4.758 1.061 4.813 1.00 0.00 C ATOM 356 CD PRO A 313 3.674 1.691 3.969 1.00 0.00 C ATOM 0 HA PRO A 313 6.017 1.031 1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.588 0.106 4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.562 1.834 3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.443 0.087 5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 313 4.982 1.679 5.683 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.697 1.256 4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.593 2.762 4.155 1.00 0.00 H new ATOM 364 N PRO A 314 6.270 -1.532 2.107 1.00 0.00 N ATOM 365 CA PRO A 314 6.236 -2.970 1.848 1.00 0.00 C ATOM 366 C PRO A 314 5.931 -3.802 3.097 1.00 0.00 C ATOM 367 O PRO A 314 5.521 -4.958 2.991 1.00 0.00 O ATOM 368 CB PRO A 314 7.644 -3.286 1.319 1.00 0.00 C ATOM 369 CG PRO A 314 8.347 -1.970 1.195 1.00 0.00 C ATOM 370 CD PRO A 314 7.647 -1.025 2.128 1.00 0.00 C ATOM 0 HA PRO A 314 5.439 -3.223 1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 314 8.176 -3.949 2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.593 -3.793 0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 314 9.400 -2.066 1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 314 8.307 -1.604 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 314 8.075 -1.051 3.130 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.706 0.007 1.782 1.00 0.00 H new ATOM 378 N LEU A 315 6.162 -3.226 4.277 1.00 0.00 N ATOM 379 CA LEU A 315 5.938 -3.945 5.533 1.00 0.00 C ATOM 380 C LEU A 315 4.501 -4.456 5.657 1.00 0.00 C ATOM 381 O LEU A 315 4.281 -5.630 5.960 1.00 0.00 O ATOM 382 CB LEU A 315 6.285 -3.059 6.736 1.00 0.00 C ATOM 383 CG LEU A 315 7.512 -2.160 6.550 1.00 0.00 C ATOM 384 CD1 LEU A 315 7.103 -0.695 6.517 1.00 0.00 C ATOM 385 CD2 LEU A 315 8.527 -2.405 7.657 1.00 0.00 C ATOM 0 H LEU A 315 6.502 -2.271 4.390 1.00 0.00 H new ATOM 0 HA LEU A 315 6.599 -4.812 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 315 5.425 -2.430 6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.451 -3.699 7.603 1.00 0.00 H new ATOM 0 HG LEU A 315 7.976 -2.408 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 315 7.988 -0.073 6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 315 6.415 -0.528 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 315 6.613 -0.433 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 315 9.391 -1.758 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 315 8.072 -2.186 8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 315 8.846 -3.447 7.634 1.00 0.00 H new ATOM 397 N PRO A 316 3.503 -3.588 5.432 1.00 0.00 N ATOM 398 CA PRO A 316 2.098 -3.959 5.527 1.00 0.00 C ATOM 399 C PRO A 316 1.538 -4.471 4.208 1.00 0.00 C ATOM 400 O PRO A 316 2.276 -4.681 3.246 1.00 0.00 O ATOM 401 CB PRO A 316 1.431 -2.640 5.904 1.00 0.00 C ATOM 402 CG PRO A 316 2.287 -1.580 5.289 1.00 0.00 C ATOM 403 CD PRO A 316 3.659 -2.175 5.070 1.00 0.00 C ATOM 0 HA PRO A 316 1.933 -4.770 6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.410 -2.592 5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.374 -2.522 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.860 -1.243 4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.346 -0.709 5.941 1.00 0.00 H new ATOM 0 HD2 PRO A 316 3.981 -2.063 4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 316 4.409 -1.685 5.692 1.00 0.00 H new ATOM 411 N SER A 317 0.224 -4.658 4.169 1.00 0.00 N ATOM 412 CA SER A 317 -0.443 -5.131 2.966 1.00 0.00 C ATOM 413 C SER A 317 -1.601 -4.208 2.597 1.00 0.00 C ATOM 414 O SER A 317 -1.770 -3.856 1.430 1.00 0.00 O ATOM 415 CB SER A 317 -0.932 -6.567 3.151 1.00 0.00 C ATOM 416 OG SER A 317 -0.028 -7.491 2.572 1.00 0.00 O ATOM 0 H SER A 317 -0.400 -4.489 4.958 1.00 0.00 H new ATOM 0 HA SER A 317 0.276 -5.120 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 317 -1.046 -6.782 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 317 -1.916 -6.681 2.695 1.00 0.00 H new ATOM 0 HG SER A 317 -0.362 -8.403 2.705 1.00 0.00 H new ATOM 422 N HIS A 318 -2.388 -3.790 3.593 1.00 0.00 N ATOM 423 CA HIS A 318 -3.499 -2.883 3.327 1.00 0.00 C ATOM 424 C HIS A 318 -3.075 -1.448 3.534 1.00 0.00 C ATOM 425 O HIS A 318 -2.126 -1.151 4.260 1.00 0.00 O ATOM 426 CB HIS A 318 -4.761 -3.156 4.169 1.00 0.00 C ATOM 427 CG HIS A 318 -4.545 -3.882 5.446 1.00 0.00 C ATOM 428 ND1 HIS A 318 -3.606 -3.730 6.387 1.00 0.00 N flip ATOM 429 CD2 HIS A 318 -5.373 -4.890 5.880 1.00 0.00 C flip ATOM 430 CE1 HIS A 318 -3.869 -4.645 7.379 1.00 0.00 C flip ATOM 431 NE2 HIS A 318 -4.946 -5.333 7.043 1.00 0.00 N flip ATOM 0 H HIS A 318 -2.277 -4.060 4.570 1.00 0.00 H new ATOM 0 HA HIS A 318 -3.768 -3.065 2.286 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -5.238 -2.202 4.392 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.462 -3.729 3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -6.238 -5.260 5.350 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -3.292 -4.779 8.282 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -5.373 -6.080 7.591 1.00 0.00 H new ATOM 440 N CYS A 319 -3.799 -0.569 2.879 1.00 0.00 N ATOM 441 CA CYS A 319 -3.539 0.857 2.955 1.00 0.00 C ATOM 442 C CYS A 319 -3.726 1.359 4.384 1.00 0.00 C ATOM 443 O CYS A 319 -4.636 0.925 5.093 1.00 0.00 O ATOM 444 CB CYS A 319 -4.461 1.588 1.979 1.00 0.00 C ATOM 445 SG CYS A 319 -4.616 3.369 2.258 1.00 0.00 S ATOM 0 H CYS A 319 -4.585 -0.819 2.278 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.505 1.057 2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.094 1.425 0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.453 1.139 2.035 1.00 0.00 H new ATOM 450 N ASN A 320 -2.849 2.269 4.802 1.00 0.00 N ATOM 451 CA ASN A 320 -2.897 2.826 6.154 1.00 0.00 C ATOM 452 C ASN A 320 -3.970 3.905 6.298 1.00 0.00 C ATOM 453 O ASN A 320 -3.840 4.812 7.121 1.00 0.00 O ATOM 454 CB ASN A 320 -1.529 3.402 6.532 1.00 0.00 C ATOM 455 CG ASN A 320 -0.695 2.427 7.338 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.876 2.292 8.548 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.225 1.741 6.671 1.00 0.00 N ATOM 0 H ASN A 320 -2.094 2.638 4.223 1.00 0.00 H new ATOM 0 HA ASN A 320 -3.157 2.012 6.831 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -0.989 3.674 5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.669 4.318 7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 320 0.816 1.070 7.162 1.00 0.00 H new ATOM 0 HD22 ASN A 320 0.341 1.885 5.668 1.00 0.00 H new ATOM 464 N ARG A 321 -5.033 3.800 5.510 1.00 0.00 N ATOM 465 CA ARG A 321 -6.126 4.759 5.566 1.00 0.00 C ATOM 466 C ARG A 321 -7.458 4.040 5.407 1.00 0.00 C ATOM 467 O ARG A 321 -8.333 4.127 6.269 1.00 0.00 O ATOM 468 CB ARG A 321 -5.970 5.822 4.475 1.00 0.00 C ATOM 469 CG ARG A 321 -4.691 6.637 4.592 1.00 0.00 C ATOM 470 CD ARG A 321 -4.939 7.973 5.276 1.00 0.00 C ATOM 471 NE ARG A 321 -5.512 7.808 6.611 1.00 0.00 N ATOM 472 CZ ARG A 321 -5.084 8.453 7.696 1.00 0.00 C ATOM 473 NH1 ARG A 321 -4.089 9.329 7.616 1.00 0.00 N ATOM 474 NH2 ARG A 321 -5.659 8.225 8.869 1.00 0.00 N ATOM 0 H ARG A 321 -5.160 3.057 4.823 1.00 0.00 H new ATOM 0 HA ARG A 321 -6.101 5.255 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -5.992 5.335 3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.825 6.497 4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -3.949 6.071 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.275 6.808 3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -4.000 8.522 5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -5.612 8.574 4.664 1.00 0.00 H new ATOM 0 HE ARG A 321 -6.290 7.157 6.719 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -3.644 9.514 6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -3.770 9.816 8.453 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -6.427 7.557 8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -5.333 8.717 9.701 1.00 0.00 H new ATOM 488 N CYS A 322 -7.599 3.325 4.297 1.00 0.00 N ATOM 489 CA CYS A 322 -8.816 2.578 4.015 1.00 0.00 C ATOM 490 C CYS A 322 -8.661 1.102 4.386 1.00 0.00 C ATOM 491 O CYS A 322 -9.648 0.370 4.468 1.00 0.00 O ATOM 492 CB CYS A 322 -9.189 2.718 2.536 1.00 0.00 C ATOM 493 SG CYS A 322 -8.156 1.749 1.409 1.00 0.00 S ATOM 0 H CYS A 322 -6.882 3.248 3.576 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.617 2.994 4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.228 2.417 2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -9.124 3.769 2.255 1.00 0.00 H new ATOM 498 N TRP A 323 -7.418 0.663 4.602 1.00 0.00 N ATOM 499 CA TRP A 323 -7.147 -0.724 4.954 1.00 0.00 C ATOM 500 C TRP A 323 -7.417 -1.653 3.770 1.00 0.00 C ATOM 501 O TRP A 323 -7.846 -2.793 3.950 1.00 0.00 O ATOM 502 CB TRP A 323 -7.980 -1.154 6.165 1.00 0.00 C ATOM 503 CG TRP A 323 -7.161 -1.359 7.403 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.381 -0.432 8.034 1.00 0.00 C ATOM 505 CD2 TRP A 323 -7.037 -2.569 8.159 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.782 -0.991 9.136 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.169 -2.303 9.234 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.578 -3.852 8.032 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.828 -3.271 10.175 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -7.239 -4.813 8.967 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.372 -4.519 10.026 1.00 0.00 C ATOM 0 H TRP A 323 -6.587 1.251 4.538 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.092 -0.798 5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.740 -0.398 6.361 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.504 -2.079 5.927 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.254 0.591 7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.152 -0.509 9.777 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -8.248 -4.088 7.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -5.159 -3.046 10.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.650 -5.808 8.879 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -6.127 -5.292 10.740 1.00 0.00 H new ATOM 522 N ALA A 324 -7.142 -1.167 2.562 1.00 0.00 N ATOM 523 CA ALA A 324 -7.334 -1.969 1.359 1.00 0.00 C ATOM 524 C ALA A 324 -6.174 -2.937 1.199 1.00 0.00 C ATOM 525 O ALA A 324 -5.167 -2.607 0.575 1.00 0.00 O ATOM 526 CB ALA A 324 -7.452 -1.074 0.133 1.00 0.00 C ATOM 0 H ALA A 324 -6.787 -0.226 2.392 1.00 0.00 H new ATOM 0 HA ALA A 324 -8.260 -2.536 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.595 -1.690 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.304 -0.405 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.541 -0.485 0.023 1.00 0.00 H new ATOM 532 N LEU A 325 -6.304 -4.117 1.800 1.00 0.00 N ATOM 533 CA LEU A 325 -5.245 -5.120 1.758 1.00 0.00 C ATOM 534 C LEU A 325 -4.768 -5.403 0.346 1.00 0.00 C ATOM 535 O LEU A 325 -5.152 -6.397 -0.271 1.00 0.00 O ATOM 536 CB LEU A 325 -5.680 -6.404 2.454 1.00 0.00 C ATOM 537 CG LEU A 325 -4.520 -7.233 2.981 1.00 0.00 C ATOM 538 CD1 LEU A 325 -3.870 -6.505 4.134 1.00 0.00 C ATOM 539 CD2 LEU A 325 -4.988 -8.618 3.398 1.00 0.00 C ATOM 0 H LEU A 325 -7.133 -4.402 2.322 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.396 -4.704 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.342 -6.152 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -6.259 -7.008 1.756 1.00 0.00 H new ATOM 0 HG LEU A 325 -3.784 -7.366 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -3.037 -7.097 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -3.502 -5.538 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -4.601 -6.355 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -4.140 -9.192 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -5.739 -8.527 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -5.422 -9.129 2.539 1.00 0.00 H new ATOM 551 N ARG A 326 -3.893 -4.518 -0.130 1.00 0.00 N ATOM 552 CA ARG A 326 -3.285 -4.617 -1.457 1.00 0.00 C ATOM 553 C ARG A 326 -4.203 -5.304 -2.472 1.00 0.00 C ATOM 554 O ARG A 326 -5.423 -5.321 -2.312 1.00 0.00 O ATOM 555 CB ARG A 326 -1.955 -5.357 -1.333 1.00 0.00 C ATOM 556 CG ARG A 326 -0.891 -4.865 -2.294 1.00 0.00 C ATOM 557 CD ARG A 326 0.046 -3.895 -1.610 1.00 0.00 C ATOM 558 NE ARG A 326 0.995 -4.579 -0.736 1.00 0.00 N ATOM 559 CZ ARG A 326 2.298 -4.699 -0.986 1.00 0.00 C ATOM 560 NH1 ARG A 326 2.825 -4.191 -2.094 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.080 -5.335 -0.123 1.00 0.00 N ATOM 0 H ARG A 326 -3.583 -3.704 0.400 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.117 -3.609 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -1.586 -5.254 -0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -2.124 -6.420 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -0.325 -5.712 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.363 -4.380 -3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 326 0.591 -3.325 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -0.534 -3.180 -1.027 1.00 0.00 H new ATOM 0 HE ARG A 326 0.636 -4.993 0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.231 -3.703 -2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 326 3.824 -4.289 -2.275 1.00 0.00 H new ATOM 0 HH21 ARG A 326 2.683 -5.731 0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.078 -5.428 -0.312 1.00 0.00 H new ATOM 575 N GLU A 327 -3.610 -5.854 -3.527 1.00 0.00 N ATOM 576 CA GLU A 327 -4.376 -6.529 -4.568 1.00 0.00 C ATOM 577 C GLU A 327 -3.563 -7.633 -5.242 1.00 0.00 C ATOM 578 O GLU A 327 -4.100 -8.689 -5.577 1.00 0.00 O ATOM 579 CB GLU A 327 -4.854 -5.517 -5.612 1.00 0.00 C ATOM 580 CG GLU A 327 -6.362 -5.510 -5.809 1.00 0.00 C ATOM 581 CD GLU A 327 -6.759 -5.456 -7.271 1.00 0.00 C ATOM 582 OE1 GLU A 327 -6.360 -4.492 -7.959 1.00 0.00 O ATOM 583 OE2 GLU A 327 -7.470 -6.376 -7.728 1.00 0.00 O ATOM 0 H GLU A 327 -2.602 -5.845 -3.683 1.00 0.00 H new ATOM 0 HA GLU A 327 -5.240 -6.994 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.531 -4.520 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -4.373 -5.736 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -6.788 -6.404 -5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -6.789 -4.653 -5.289 1.00 0.00 H new ATOM 590 N ASN A 328 -2.275 -7.383 -5.448 1.00 0.00 N ATOM 591 CA ASN A 328 -1.406 -8.361 -6.095 1.00 0.00 C ATOM 592 C ASN A 328 -0.289 -8.828 -5.165 1.00 0.00 C ATOM 593 O ASN A 328 0.860 -8.408 -5.300 1.00 0.00 O ATOM 594 CB ASN A 328 -0.803 -7.769 -7.371 1.00 0.00 C ATOM 595 CG ASN A 328 -1.852 -7.485 -8.429 1.00 0.00 C ATOM 596 OD1 ASN A 328 -2.828 -6.779 -8.178 1.00 0.00 O ATOM 597 ND2 ASN A 328 -1.655 -8.039 -9.621 1.00 0.00 N ATOM 0 H ASN A 328 -1.810 -6.516 -5.178 1.00 0.00 H new ATOM 0 HA ASN A 328 -2.018 -9.227 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -0.278 -6.846 -7.127 1.00 0.00 H new ATOM 0 HB3 ASN A 328 -0.062 -8.460 -7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -2.328 -7.886 -10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 328 -0.831 -8.618 -9.785 1.00 0.00 H new ATOM 604 N TRP A 329 -0.628 -9.710 -4.228 1.00 0.00 N ATOM 605 CA TRP A 329 0.355 -10.242 -3.287 1.00 0.00 C ATOM 606 C TRP A 329 0.516 -11.747 -3.472 1.00 0.00 C ATOM 607 O TRP A 329 1.493 -12.212 -4.058 1.00 0.00 O ATOM 608 CB TRP A 329 -0.035 -9.937 -1.833 1.00 0.00 C ATOM 609 CG TRP A 329 -1.460 -9.516 -1.645 1.00 0.00 C ATOM 610 CD1 TRP A 329 -2.097 -8.484 -2.266 1.00 0.00 C ATOM 611 CD2 TRP A 329 -2.423 -10.113 -0.768 1.00 0.00 C ATOM 612 NE1 TRP A 329 -3.393 -8.392 -1.825 1.00 0.00 N ATOM 613 CE2 TRP A 329 -3.621 -9.386 -0.908 1.00 0.00 C ATOM 614 CE3 TRP A 329 -2.390 -11.190 0.121 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -4.772 -9.702 -0.192 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -3.533 -11.504 0.831 1.00 0.00 C ATOM 617 CH2 TRP A 329 -4.711 -10.762 0.670 1.00 0.00 C ATOM 0 H TRP A 329 -1.573 -10.071 -4.100 1.00 0.00 H new ATOM 0 HA TRP A 329 1.305 -9.751 -3.497 1.00 0.00 H new ATOM 0 HB2 TRP A 329 0.151 -10.824 -1.227 1.00 0.00 H new ATOM 0 HB3 TRP A 329 0.616 -9.149 -1.454 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.647 -7.832 -3.000 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -4.075 -7.698 -2.129 1.00 0.00 H new ATOM 0 HE3 TRP A 329 -1.487 -11.767 0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -5.681 -9.131 -0.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -3.518 -12.335 1.521 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -5.589 -11.033 1.238 1.00 0.00 H new ATOM 628 N LEU A 330 -0.451 -12.501 -2.963 1.00 0.00 N ATOM 629 CA LEU A 330 -0.423 -13.958 -3.066 1.00 0.00 C ATOM 630 C LEU A 330 -0.352 -14.402 -4.527 1.00 0.00 C ATOM 631 O LEU A 330 -1.319 -14.253 -5.275 1.00 0.00 O ATOM 632 CB LEU A 330 -1.650 -14.588 -2.393 1.00 0.00 C ATOM 633 CG LEU A 330 -2.892 -13.702 -2.319 1.00 0.00 C ATOM 634 CD1 LEU A 330 -3.271 -13.188 -3.699 1.00 0.00 C ATOM 635 CD2 LEU A 330 -4.053 -14.464 -1.696 1.00 0.00 C ATOM 0 H LEU A 330 -1.265 -12.129 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 330 0.472 -14.302 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 330 -1.908 -15.500 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 330 -1.375 -14.882 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 330 -2.662 -12.844 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -4.158 -12.559 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -2.447 -12.604 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -3.480 -14.032 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -4.930 -13.818 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -4.279 -15.341 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 330 -3.782 -14.779 -0.688 1.00 0.00 H new ATOM 647 N PRO A 331 0.794 -14.960 -4.959 1.00 0.00 N ATOM 648 CA PRO A 331 0.972 -15.425 -6.338 1.00 0.00 C ATOM 649 C PRO A 331 -0.148 -16.360 -6.782 1.00 0.00 C ATOM 650 O PRO A 331 -0.461 -16.450 -7.969 1.00 0.00 O ATOM 651 CB PRO A 331 2.308 -16.170 -6.296 1.00 0.00 C ATOM 652 CG PRO A 331 3.046 -15.560 -5.156 1.00 0.00 C ATOM 653 CD PRO A 331 2.002 -15.184 -4.140 1.00 0.00 C ATOM 0 HA PRO A 331 0.954 -14.601 -7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 331 2.160 -17.239 -6.145 1.00 0.00 H new ATOM 0 HB3 PRO A 331 2.856 -16.053 -7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 331 3.764 -16.263 -4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 331 3.609 -14.684 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 331 1.850 -15.977 -3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 331 2.284 -14.288 -3.586 1.00 0.00 H new ATOM 661 N GLU A 332 -0.748 -17.054 -5.820 1.00 0.00 N ATOM 662 CA GLU A 332 -1.834 -17.982 -6.112 1.00 0.00 C ATOM 663 C GLU A 332 -3.023 -17.737 -5.187 1.00 0.00 C ATOM 664 O GLU A 332 -2.866 -17.209 -4.086 1.00 0.00 O ATOM 665 CB GLU A 332 -1.352 -19.428 -5.968 1.00 0.00 C ATOM 666 CG GLU A 332 -0.703 -19.722 -4.625 1.00 0.00 C ATOM 667 CD GLU A 332 -1.696 -20.229 -3.598 1.00 0.00 C ATOM 668 OE1 GLU A 332 -2.379 -19.394 -2.969 1.00 0.00 O ATOM 669 OE2 GLU A 332 -1.792 -21.463 -3.423 1.00 0.00 O ATOM 0 H GLU A 332 -0.501 -16.991 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 332 -2.154 -17.814 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -2.199 -20.100 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -0.638 -19.645 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 332 0.085 -20.463 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -0.227 -18.816 -4.249 1.00 0.00 H new ATOM 676 N ASP A 333 -4.210 -18.124 -5.642 1.00 0.00 N ATOM 677 CA ASP A 333 -5.425 -17.946 -4.857 1.00 0.00 C ATOM 678 C ASP A 333 -6.190 -19.260 -4.734 1.00 0.00 C ATOM 679 O ASP A 333 -7.070 -19.556 -5.541 1.00 0.00 O ATOM 680 CB ASP A 333 -6.317 -16.877 -5.494 1.00 0.00 C ATOM 681 CG ASP A 333 -6.649 -15.752 -4.534 1.00 0.00 C ATOM 682 OD1 ASP A 333 -7.155 -16.044 -3.430 1.00 0.00 O ATOM 683 OD2 ASP A 333 -6.402 -14.579 -4.886 1.00 0.00 O ATOM 0 H ASP A 333 -4.356 -18.563 -6.551 1.00 0.00 H new ATOM 0 HA ASP A 333 -5.139 -17.620 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -5.817 -16.466 -6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -7.241 -17.339 -5.841 1.00 0.00 H new ATOM 688 N LYS A 334 -5.847 -20.045 -3.717 1.00 0.00 N ATOM 689 CA LYS A 334 -6.502 -21.327 -3.489 1.00 0.00 C ATOM 690 C LYS A 334 -6.735 -21.562 -2.000 1.00 0.00 C ATOM 691 O LYS A 334 -5.922 -21.167 -1.164 1.00 0.00 O ATOM 692 CB LYS A 334 -5.662 -22.466 -4.071 1.00 0.00 C ATOM 693 CG LYS A 334 -5.133 -22.179 -5.466 1.00 0.00 C ATOM 694 CD LYS A 334 -5.012 -23.452 -6.288 1.00 0.00 C ATOM 695 CE LYS A 334 -6.373 -23.946 -6.750 1.00 0.00 C ATOM 696 NZ LYS A 334 -6.941 -23.085 -7.825 1.00 0.00 N ATOM 0 H LYS A 334 -5.120 -19.816 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 334 -7.469 -21.305 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -4.821 -22.663 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -6.265 -23.373 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -5.799 -21.480 -5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -4.158 -21.697 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -4.377 -23.268 -7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -4.525 -24.225 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -6.283 -24.969 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -7.058 -23.968 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -7.751 -23.567 -8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -7.255 -22.182 -7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -6.214 -22.905 -8.546 1.00 0.00 H new ATOM 710 N GLY A 335 -7.852 -22.205 -1.674 1.00 0.00 N ATOM 711 CA GLY A 335 -8.170 -22.480 -0.286 1.00 0.00 C ATOM 712 C GLY A 335 -7.878 -23.916 0.102 1.00 0.00 C ATOM 713 O GLY A 335 -6.758 -24.391 -0.178 1.00 0.00 O ATOM 714 OXT GLY A 335 -8.769 -24.567 0.689 1.00 0.00 O ATOM 0 H GLY A 335 -8.542 -22.540 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -7.597 -21.810 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -9.224 -22.266 -0.109 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.355 3.086 0.717 1.00 0.00 ZN