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 USER MOD Single : A 302 TYR OH : rot 180:sc= 0 USER MOD Single : A 304 LYS NZ :NH3+ 152:sc= -1.23 (180deg=-3.52!) USER MOD Single : A 306 THR OG1 : rot -0:sc= 0.896! USER MOD Single : A 307 SER OG : rot 180:sc= 0 USER MOD Single : A 309 ASN : amide:sc= -0.829 K(o=-0.83,f=-0.14) USER MOD Single : A 311 MET CE :methyl -124:sc= -0.591 (180deg=-1.85) USER MOD Single : A 312 ASN : amide:sc= -1.8! C(o=-1.8!,f=-7.7!) USER MOD Single : A 317 SER OG : rot 180:sc= 0.0474 USER MOD Single : A 318 HIS : no HD1:sc= -4.46! C(o=-4.5!,f=-3.5!) USER MOD Single : A 320 ASN : amide:sc= -0.0624 X(o=-0.062,f=-0.37) USER MOD Single : A 328 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.39) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 26.758 -3.996 7.158 1.00 0.00 N ATOM 2 CA SER A 290 25.445 -4.689 7.205 1.00 0.00 C ATOM 3 C SER A 290 24.356 -3.855 6.537 1.00 0.00 C ATOM 4 O SER A 290 23.785 -2.955 7.153 1.00 0.00 O ATOM 5 CB SER A 290 25.087 -4.956 8.669 1.00 0.00 C ATOM 6 OG SER A 290 24.770 -6.321 8.878 1.00 0.00 O ATOM 0 HA SER A 290 25.516 -5.630 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 290 25.923 -4.672 9.308 1.00 0.00 H new ATOM 0 HB3 SER A 290 24.239 -4.335 8.958 1.00 0.00 H new ATOM 0 HG SER A 290 24.547 -6.464 9.821 1.00 0.00 H new ATOM 14 N PHE A 291 24.074 -4.159 5.274 1.00 0.00 N ATOM 15 CA PHE A 291 23.054 -3.437 4.523 1.00 0.00 C ATOM 16 C PHE A 291 21.885 -4.353 4.174 1.00 0.00 C ATOM 17 O PHE A 291 21.708 -4.740 3.019 1.00 0.00 O ATOM 18 CB PHE A 291 23.655 -2.845 3.247 1.00 0.00 C ATOM 19 CG PHE A 291 24.412 -1.568 3.476 1.00 0.00 C ATOM 20 CD1 PHE A 291 25.464 -1.524 4.378 1.00 0.00 C ATOM 21 CD2 PHE A 291 24.072 -0.413 2.790 1.00 0.00 C ATOM 22 CE1 PHE A 291 26.162 -0.351 4.591 1.00 0.00 C ATOM 23 CE2 PHE A 291 24.768 0.764 2.999 1.00 0.00 C ATOM 24 CZ PHE A 291 25.813 0.794 3.901 1.00 0.00 C ATOM 0 H PHE A 291 24.538 -4.901 4.749 1.00 0.00 H new ATOM 0 HA PHE A 291 22.681 -2.627 5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 291 24.324 -3.578 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 291 22.855 -2.660 2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 291 25.741 -2.416 4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 291 23.255 -0.432 2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 291 26.980 -0.329 5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 291 24.495 1.658 2.458 1.00 0.00 H new ATOM 0 HZ PHE A 291 26.357 1.712 4.067 1.00 0.00 H new ATOM 34 N GLU A 292 21.088 -4.695 5.181 1.00 0.00 N ATOM 35 CA GLU A 292 19.934 -5.564 4.982 1.00 0.00 C ATOM 36 C GLU A 292 18.660 -4.900 5.494 1.00 0.00 C ATOM 37 O GLU A 292 18.167 -5.227 6.574 1.00 0.00 O ATOM 38 CB GLU A 292 20.148 -6.902 5.694 1.00 0.00 C ATOM 39 CG GLU A 292 19.454 -8.070 5.014 1.00 0.00 C ATOM 40 CD GLU A 292 20.341 -8.766 4.001 1.00 0.00 C ATOM 41 OE1 GLU A 292 20.402 -8.298 2.845 1.00 0.00 O ATOM 42 OE2 GLU A 292 20.976 -9.779 4.364 1.00 0.00 O ATOM 0 H GLU A 292 21.220 -4.384 6.143 1.00 0.00 H new ATOM 0 HA GLU A 292 19.825 -5.743 3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 292 21.217 -7.108 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 292 19.785 -6.821 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 292 19.138 -8.789 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 292 18.552 -7.712 4.517 1.00 0.00 H new ATOM 49 N GLU A 293 18.133 -3.964 4.712 1.00 0.00 N ATOM 50 CA GLU A 293 16.917 -3.250 5.084 1.00 0.00 C ATOM 51 C GLU A 293 15.745 -4.213 5.243 1.00 0.00 C ATOM 52 O GLU A 293 15.767 -5.326 4.718 1.00 0.00 O ATOM 53 CB GLU A 293 16.581 -2.189 4.034 1.00 0.00 C ATOM 54 CG GLU A 293 17.676 -1.151 3.848 1.00 0.00 C ATOM 55 CD GLU A 293 18.145 -1.047 2.411 1.00 0.00 C ATOM 56 OE1 GLU A 293 17.320 -1.269 1.499 1.00 0.00 O ATOM 57 OE2 GLU A 293 19.337 -0.743 2.195 1.00 0.00 O ATOM 0 H GLU A 293 18.529 -3.682 3.816 1.00 0.00 H new ATOM 0 HA GLU A 293 17.093 -2.761 6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 293 16.392 -2.681 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 293 15.658 -1.685 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 293 17.309 -0.179 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 293 18.523 -1.405 4.485 1.00 0.00 H new ATOM 64 N ASP A 294 14.722 -3.775 5.971 1.00 0.00 N ATOM 65 CA ASP A 294 13.538 -4.594 6.201 1.00 0.00 C ATOM 66 C ASP A 294 12.519 -3.850 7.064 1.00 0.00 C ATOM 67 O ASP A 294 11.353 -3.727 6.689 1.00 0.00 O ATOM 68 CB ASP A 294 13.922 -5.919 6.867 1.00 0.00 C ATOM 69 CG ASP A 294 13.283 -7.114 6.186 1.00 0.00 C ATOM 70 OD1 ASP A 294 12.147 -7.473 6.561 1.00 0.00 O ATOM 71 OD2 ASP A 294 13.919 -7.691 5.278 1.00 0.00 O ATOM 0 H ASP A 294 14.690 -2.856 6.412 1.00 0.00 H new ATOM 0 HA ASP A 294 13.083 -4.805 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 294 15.006 -6.031 6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 294 13.621 -5.897 7.914 1.00 0.00 H new ATOM 76 N PRO A 295 12.946 -3.338 8.233 1.00 0.00 N ATOM 77 CA PRO A 295 12.060 -2.602 9.142 1.00 0.00 C ATOM 78 C PRO A 295 11.465 -1.360 8.487 1.00 0.00 C ATOM 79 O PRO A 295 10.402 -0.884 8.887 1.00 0.00 O ATOM 80 CB PRO A 295 12.976 -2.204 10.306 1.00 0.00 C ATOM 81 CG PRO A 295 14.136 -3.134 10.221 1.00 0.00 C ATOM 82 CD PRO A 295 14.319 -3.432 8.762 1.00 0.00 C ATOM 0 HA PRO A 295 11.205 -3.205 9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 295 13.296 -1.166 10.219 1.00 0.00 H new ATOM 0 HB3 PRO A 295 12.463 -2.300 11.263 1.00 0.00 H new ATOM 0 HG2 PRO A 295 15.033 -2.679 10.642 1.00 0.00 H new ATOM 0 HG3 PRO A 295 13.947 -4.047 10.785 1.00 0.00 H new ATOM 0 HD2 PRO A 295 14.986 -2.715 8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 295 14.747 -4.422 8.602 1.00 0.00 H new ATOM 90 N GLU A 296 12.157 -0.840 7.478 1.00 0.00 N ATOM 91 CA GLU A 296 11.699 0.344 6.766 1.00 0.00 C ATOM 92 C GLU A 296 12.303 0.402 5.366 1.00 0.00 C ATOM 93 O GLU A 296 13.381 0.962 5.168 1.00 0.00 O ATOM 94 CB GLU A 296 12.062 1.610 7.546 1.00 0.00 C ATOM 95 CG GLU A 296 11.620 1.577 9.000 1.00 0.00 C ATOM 96 CD GLU A 296 11.863 2.894 9.712 1.00 0.00 C ATOM 97 OE1 GLU A 296 11.055 3.828 9.525 1.00 0.00 O ATOM 98 OE2 GLU A 296 12.860 2.990 10.458 1.00 0.00 O ATOM 0 H GLU A 296 13.039 -1.222 7.136 1.00 0.00 H new ATOM 0 HA GLU A 296 10.615 0.285 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 296 13.142 1.754 7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 296 11.607 2.471 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 296 10.559 1.332 9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 296 12.154 0.782 9.521 1.00 0.00 H new ATOM 105 N ILE A 297 11.601 -0.180 4.401 1.00 0.00 N ATOM 106 CA ILE A 297 12.067 -0.196 3.019 1.00 0.00 C ATOM 107 C ILE A 297 11.886 1.173 2.369 1.00 0.00 C ATOM 108 O ILE A 297 11.063 1.977 2.806 1.00 0.00 O ATOM 109 CB ILE A 297 11.332 -1.286 2.197 1.00 0.00 C ATOM 110 CG1 ILE A 297 12.150 -2.577 2.198 1.00 0.00 C ATOM 111 CG2 ILE A 297 11.065 -0.834 0.764 1.00 0.00 C ATOM 112 CD1 ILE A 297 11.456 -3.734 1.513 1.00 0.00 C ATOM 0 H ILE A 297 10.707 -0.647 4.550 1.00 0.00 H new ATOM 0 HA ILE A 297 13.130 -0.435 3.029 1.00 0.00 H new ATOM 0 HB ILE A 297 10.366 -1.465 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 297 13.104 -2.393 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 297 12.372 -2.856 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 297 10.549 -1.627 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.444 0.062 0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 297 12.011 -0.614 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 297 12.095 -4.616 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 297 10.514 -3.945 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 297 11.258 -3.475 0.473 1.00 0.00 H new ATOM 124 N SER A 298 12.662 1.428 1.321 1.00 0.00 N ATOM 125 CA SER A 298 12.594 2.699 0.605 1.00 0.00 C ATOM 126 C SER A 298 11.172 2.988 0.135 1.00 0.00 C ATOM 127 O SER A 298 10.249 2.221 0.410 1.00 0.00 O ATOM 128 CB SER A 298 13.546 2.683 -0.593 1.00 0.00 C ATOM 129 OG SER A 298 14.864 2.354 -0.195 1.00 0.00 O ATOM 0 H SER A 298 13.347 0.771 0.947 1.00 0.00 H new ATOM 0 HA SER A 298 12.896 3.490 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 298 13.195 1.961 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.542 3.660 -1.077 1.00 0.00 H new ATOM 0 HG SER A 298 15.451 2.349 -0.980 1.00 0.00 H new ATOM 135 N LEU A 299 11.003 4.100 -0.573 1.00 0.00 N ATOM 136 CA LEU A 299 9.693 4.493 -1.079 1.00 0.00 C ATOM 137 C LEU A 299 9.429 3.894 -2.459 1.00 0.00 C ATOM 138 O LEU A 299 8.281 3.786 -2.891 1.00 0.00 O ATOM 139 CB LEU A 299 9.590 6.018 -1.147 1.00 0.00 C ATOM 140 CG LEU A 299 8.169 6.565 -1.305 1.00 0.00 C ATOM 141 CD1 LEU A 299 7.979 7.813 -0.456 1.00 0.00 C ATOM 142 CD2 LEU A 299 7.872 6.863 -2.767 1.00 0.00 C ATOM 0 H LEU A 299 11.757 4.745 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 299 8.940 4.109 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.026 6.437 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 299 10.194 6.371 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 299 7.468 5.805 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 299 6.963 8.187 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 299 8.149 7.569 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 299 8.689 8.578 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 299 6.858 7.251 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 299 8.580 7.604 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 299 7.966 5.948 -3.351 1.00 0.00 H new ATOM 154 N ALA A 300 10.497 3.513 -3.149 1.00 0.00 N ATOM 155 CA ALA A 300 10.386 2.935 -4.484 1.00 0.00 C ATOM 156 C ALA A 300 9.626 1.612 -4.470 1.00 0.00 C ATOM 157 O ALA A 300 9.027 1.220 -5.471 1.00 0.00 O ATOM 158 CB ALA A 300 11.769 2.740 -5.087 1.00 0.00 C ATOM 0 H ALA A 300 11.454 3.594 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 300 9.818 3.633 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.674 2.308 -6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.275 3.703 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.350 2.069 -4.455 1.00 0.00 H new ATOM 164 N ASP A 301 9.658 0.921 -3.336 1.00 0.00 N ATOM 165 CA ASP A 301 8.976 -0.364 -3.206 1.00 0.00 C ATOM 166 C ASP A 301 7.505 -0.187 -2.827 1.00 0.00 C ATOM 167 O ASP A 301 6.738 -1.150 -2.838 1.00 0.00 O ATOM 168 CB ASP A 301 9.679 -1.231 -2.162 1.00 0.00 C ATOM 169 CG ASP A 301 9.702 -2.698 -2.548 1.00 0.00 C ATOM 170 OD1 ASP A 301 10.198 -3.014 -3.650 1.00 0.00 O ATOM 171 OD2 ASP A 301 9.222 -3.529 -1.749 1.00 0.00 O ATOM 0 H ASP A 301 10.147 1.227 -2.495 1.00 0.00 H new ATOM 0 HA ASP A 301 9.016 -0.858 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.701 -0.877 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.175 -1.119 -1.202 1.00 0.00 H new ATOM 176 N TYR A 302 7.115 1.037 -2.482 1.00 0.00 N ATOM 177 CA TYR A 302 5.741 1.319 -2.090 1.00 0.00 C ATOM 178 C TYR A 302 4.742 0.841 -3.139 1.00 0.00 C ATOM 179 O TYR A 302 5.123 0.423 -4.232 1.00 0.00 O ATOM 180 CB TYR A 302 5.566 2.815 -1.846 1.00 0.00 C ATOM 181 CG TYR A 302 6.049 3.239 -0.484 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.158 2.633 0.085 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.399 4.230 0.237 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.609 2.997 1.328 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.845 4.604 1.489 1.00 0.00 C ATOM 186 CZ TYR A 302 6.953 3.985 2.033 1.00 0.00 C ATOM 187 OH TYR A 302 7.402 4.352 3.280 1.00 0.00 O ATOM 0 H TYR A 302 7.733 1.848 -2.467 1.00 0.00 H new ATOM 0 HA TYR A 302 5.540 0.772 -1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.110 3.370 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.513 3.076 -1.952 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.677 1.859 -0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.532 4.716 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.475 2.512 1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.330 5.377 2.040 1.00 0.00 H new ATOM 0 HH TYR A 302 6.829 5.061 3.638 1.00 0.00 H new ATOM 197 N TRP A 303 3.461 0.907 -2.792 1.00 0.00 N ATOM 198 CA TRP A 303 2.397 0.485 -3.694 1.00 0.00 C ATOM 199 C TRP A 303 1.208 1.437 -3.604 1.00 0.00 C ATOM 200 O TRP A 303 1.101 2.224 -2.663 1.00 0.00 O ATOM 201 CB TRP A 303 1.954 -0.940 -3.358 1.00 0.00 C ATOM 202 CG TRP A 303 1.647 -1.136 -1.906 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.548 -1.302 -0.892 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.350 -1.184 -1.304 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.888 -1.449 0.304 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.537 -1.380 0.077 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.953 -1.081 -1.798 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.530 -1.475 0.967 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.010 -1.174 -0.914 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.793 -1.369 0.455 1.00 0.00 C ATOM 0 H TRP A 303 3.134 1.250 -1.889 1.00 0.00 H new ATOM 0 HA TRP A 303 2.782 0.506 -4.714 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.070 -1.187 -3.946 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.738 -1.637 -3.654 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.621 -1.316 -1.013 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.331 -1.587 1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -1.130 -0.931 -2.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.365 -1.627 2.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.021 -1.095 -1.285 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.641 -1.437 1.120 1.00 0.00 H new ATOM 221 N LYS A 304 0.319 1.364 -4.591 1.00 0.00 N ATOM 222 CA LYS A 304 -0.858 2.225 -4.623 1.00 0.00 C ATOM 223 C LYS A 304 -2.116 1.460 -4.223 1.00 0.00 C ATOM 224 O LYS A 304 -2.442 0.429 -4.812 1.00 0.00 O ATOM 225 CB LYS A 304 -1.038 2.823 -6.020 1.00 0.00 C ATOM 226 CG LYS A 304 -2.156 3.848 -6.102 1.00 0.00 C ATOM 227 CD LYS A 304 -1.709 5.108 -6.827 1.00 0.00 C ATOM 228 CE LYS A 304 -0.834 5.979 -5.940 1.00 0.00 C ATOM 229 NZ LYS A 304 0.578 5.506 -5.914 1.00 0.00 N ATOM 0 H LYS A 304 0.392 0.719 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.703 3.028 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 304 -0.103 3.291 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -1.241 2.019 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -3.011 3.414 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.489 4.105 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.159 4.835 -7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -2.583 5.675 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 304 -0.865 7.008 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 304 -1.234 5.982 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 1.210 6.311 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 0.693 4.796 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 0.818 5.080 -6.832 1.00 0.00 H new ATOM 243 N CYS A 305 -2.824 1.975 -3.220 1.00 0.00 N ATOM 244 CA CYS A 305 -4.051 1.341 -2.745 1.00 0.00 C ATOM 245 C CYS A 305 -5.059 1.195 -3.881 1.00 0.00 C ATOM 246 O CYS A 305 -5.360 2.156 -4.588 1.00 0.00 O ATOM 247 CB CYS A 305 -4.666 2.149 -1.601 1.00 0.00 C ATOM 248 SG CYS A 305 -5.977 1.277 -0.711 1.00 0.00 S ATOM 0 H CYS A 305 -2.569 2.828 -2.722 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.796 0.348 -2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.880 2.419 -0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -5.069 3.079 -2.002 1.00 0.00 H new ATOM 254 N THR A 306 -5.571 -0.020 -4.053 1.00 0.00 N ATOM 255 CA THR A 306 -6.533 -0.311 -5.112 1.00 0.00 C ATOM 256 C THR A 306 -7.905 0.314 -4.851 1.00 0.00 C ATOM 257 O THR A 306 -8.821 0.150 -5.657 1.00 0.00 O ATOM 258 CB THR A 306 -6.683 -1.824 -5.279 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.754 -2.128 -6.154 1.00 0.00 O ATOM 260 CG2 THR A 306 -6.935 -2.549 -3.975 1.00 0.00 C ATOM 0 H THR A 306 -5.335 -0.823 -3.470 1.00 0.00 H new ATOM 0 HA THR A 306 -6.142 0.133 -6.028 1.00 0.00 H new ATOM 0 HB THR A 306 -5.731 -2.165 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 306 -8.170 -1.296 -6.463 1.00 0.00 H new ATOM 0 HG21 THR A 306 -7.032 -3.618 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 306 -6.101 -2.376 -3.295 1.00 0.00 H new ATOM 0 HG23 THR A 306 -7.854 -2.177 -3.523 1.00 0.00 H new ATOM 268 N SER A 307 -8.058 1.027 -3.735 1.00 0.00 N ATOM 269 CA SER A 307 -9.335 1.650 -3.416 1.00 0.00 C ATOM 270 C SER A 307 -9.206 3.165 -3.372 1.00 0.00 C ATOM 271 O SER A 307 -9.874 3.882 -4.117 1.00 0.00 O ATOM 272 CB SER A 307 -9.858 1.132 -2.076 1.00 0.00 C ATOM 273 OG SER A 307 -10.942 1.917 -1.613 1.00 0.00 O ATOM 0 H SER A 307 -7.322 1.184 -3.047 1.00 0.00 H new ATOM 0 HA SER A 307 -10.044 1.388 -4.201 1.00 0.00 H new ATOM 0 HB2 SER A 307 -10.176 0.095 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 307 -9.055 1.145 -1.339 1.00 0.00 H new ATOM 0 HG SER A 307 -11.259 1.564 -0.755 1.00 0.00 H new ATOM 279 N CYS A 308 -8.352 3.643 -2.480 1.00 0.00 N ATOM 280 CA CYS A 308 -8.139 5.073 -2.316 1.00 0.00 C ATOM 281 C CYS A 308 -6.919 5.570 -3.097 1.00 0.00 C ATOM 282 O CYS A 308 -6.740 6.775 -3.275 1.00 0.00 O ATOM 283 CB CYS A 308 -8.009 5.396 -0.826 1.00 0.00 C ATOM 284 SG CYS A 308 -6.372 5.088 -0.124 1.00 0.00 S ATOM 0 H CYS A 308 -7.794 3.060 -1.857 1.00 0.00 H new ATOM 0 HA CYS A 308 -9.001 5.597 -2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -8.263 6.445 -0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.742 4.806 -0.275 1.00 0.00 H new ATOM 290 N ASN A 309 -6.087 4.644 -3.571 1.00 0.00 N ATOM 291 CA ASN A 309 -4.899 5.006 -4.341 1.00 0.00 C ATOM 292 C ASN A 309 -3.918 5.840 -3.515 1.00 0.00 C ATOM 293 O ASN A 309 -3.672 7.008 -3.819 1.00 0.00 O ATOM 294 CB ASN A 309 -5.306 5.772 -5.602 1.00 0.00 C ATOM 295 CG ASN A 309 -5.396 4.874 -6.820 1.00 0.00 C ATOM 296 OD1 ASN A 309 -5.950 3.776 -6.756 1.00 0.00 O ATOM 297 ND2 ASN A 309 -4.851 5.338 -7.938 1.00 0.00 N ATOM 0 H ASN A 309 -6.213 3.641 -3.436 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.393 4.083 -4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.270 6.253 -5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.583 6.565 -5.791 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -4.881 4.779 -8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -4.402 6.254 -7.945 1.00 0.00 H new ATOM 304 N GLU A 310 -3.350 5.230 -2.480 1.00 0.00 N ATOM 305 CA GLU A 310 -2.381 5.911 -1.624 1.00 0.00 C ATOM 306 C GLU A 310 -1.039 5.186 -1.657 1.00 0.00 C ATOM 307 O GLU A 310 -0.968 4.012 -2.016 1.00 0.00 O ATOM 308 CB GLU A 310 -2.893 5.987 -0.186 1.00 0.00 C ATOM 309 CG GLU A 310 -2.446 7.235 0.556 1.00 0.00 C ATOM 310 CD GLU A 310 -3.483 8.340 0.515 1.00 0.00 C ATOM 311 OE1 GLU A 310 -3.454 9.147 -0.439 1.00 0.00 O ATOM 312 OE2 GLU A 310 -4.322 8.401 1.437 1.00 0.00 O ATOM 0 H GLU A 310 -3.543 4.265 -2.212 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.246 6.924 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -3.982 5.951 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.550 5.108 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.233 6.980 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.515 7.599 0.120 1.00 0.00 H new ATOM 319 N MET A 311 0.021 5.894 -1.282 1.00 0.00 N ATOM 320 CA MET A 311 1.360 5.315 -1.274 1.00 0.00 C ATOM 321 C MET A 311 1.681 4.687 0.077 1.00 0.00 C ATOM 322 O MET A 311 2.008 5.385 1.036 1.00 0.00 O ATOM 323 CB MET A 311 2.402 6.384 -1.608 1.00 0.00 C ATOM 324 CG MET A 311 2.331 6.875 -3.044 1.00 0.00 C ATOM 325 SD MET A 311 3.959 7.072 -3.795 1.00 0.00 S ATOM 326 CE MET A 311 4.541 5.379 -3.794 1.00 0.00 C ATOM 0 H MET A 311 -0.020 6.867 -0.980 1.00 0.00 H new ATOM 0 HA MET A 311 1.390 4.533 -2.032 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.269 7.232 -0.936 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.397 5.981 -1.419 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.746 6.171 -3.636 1.00 0.00 H new ATOM 0 HG3 MET A 311 1.805 7.829 -3.072 1.00 0.00 H new ATOM 0 HE1 MET A 311 5.493 5.322 -3.266 1.00 0.00 H new ATOM 0 HE2 MET A 311 3.810 4.743 -3.294 1.00 0.00 H new ATOM 0 HE3 MET A 311 4.675 5.040 -4.821 1.00 0.00 H new ATOM 336 N ASN A 312 1.589 3.362 0.146 1.00 0.00 N ATOM 337 CA ASN A 312 1.874 2.641 1.382 1.00 0.00 C ATOM 338 C ASN A 312 3.120 1.772 1.236 1.00 0.00 C ATOM 339 O ASN A 312 3.356 1.182 0.181 1.00 0.00 O ATOM 340 CB ASN A 312 0.682 1.769 1.775 1.00 0.00 C ATOM 341 CG ASN A 312 -0.292 2.501 2.672 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.146 2.510 3.894 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.297 3.118 2.065 1.00 0.00 N ATOM 0 H ASN A 312 1.320 2.767 -0.638 1.00 0.00 H new ATOM 0 HA ASN A 312 2.055 3.378 2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.165 1.437 0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.041 0.875 2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -1.989 3.627 2.614 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -1.378 3.083 1.049 1.00 0.00 H new ATOM 350 N PRO A 313 3.937 1.676 2.300 1.00 0.00 N ATOM 351 CA PRO A 313 5.159 0.867 2.284 1.00 0.00 C ATOM 352 C PRO A 313 4.862 -0.624 2.162 1.00 0.00 C ATOM 353 O PRO A 313 3.736 -1.062 2.396 1.00 0.00 O ATOM 354 CB PRO A 313 5.815 1.175 3.633 1.00 0.00 C ATOM 355 CG PRO A 313 4.697 1.632 4.505 1.00 0.00 C ATOM 356 CD PRO A 313 3.731 2.341 3.599 1.00 0.00 C ATOM 0 HA PRO A 313 5.791 1.104 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.303 0.292 4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.580 1.945 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.219 0.788 5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 313 5.059 2.298 5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.703 2.237 3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.942 3.409 3.542 1.00 0.00 H new ATOM 364 N PRO A 314 5.874 -1.427 1.794 1.00 0.00 N ATOM 365 CA PRO A 314 5.717 -2.877 1.642 1.00 0.00 C ATOM 366 C PRO A 314 5.227 -3.542 2.924 1.00 0.00 C ATOM 367 O PRO A 314 4.499 -4.534 2.882 1.00 0.00 O ATOM 368 CB PRO A 314 7.128 -3.366 1.287 1.00 0.00 C ATOM 369 CG PRO A 314 8.040 -2.251 1.675 1.00 0.00 C ATOM 370 CD PRO A 314 7.247 -0.990 1.497 1.00 0.00 C ATOM 0 HA PRO A 314 4.971 -3.125 0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.374 -4.281 1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.211 -3.590 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.373 -2.360 2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 314 8.933 -2.242 1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.578 -0.204 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.336 -0.595 0.485 1.00 0.00 H new ATOM 378 N LEU A 315 5.629 -2.987 4.063 1.00 0.00 N ATOM 379 CA LEU A 315 5.226 -3.524 5.359 1.00 0.00 C ATOM 380 C LEU A 315 4.603 -2.429 6.228 1.00 0.00 C ATOM 381 O LEU A 315 5.268 -1.450 6.567 1.00 0.00 O ATOM 382 CB LEU A 315 6.434 -4.133 6.076 1.00 0.00 C ATOM 383 CG LEU A 315 6.097 -5.213 7.106 1.00 0.00 C ATOM 384 CD1 LEU A 315 5.536 -6.449 6.420 1.00 0.00 C ATOM 385 CD2 LEU A 315 7.328 -5.569 7.925 1.00 0.00 C ATOM 0 H LEU A 315 6.233 -2.167 4.115 1.00 0.00 H new ATOM 0 HA LEU A 315 4.480 -4.301 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 315 7.103 -4.560 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.982 -3.334 6.575 1.00 0.00 H new ATOM 0 HG LEU A 315 5.336 -4.820 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 315 5.302 -7.206 7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 315 4.629 -6.184 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 315 6.274 -6.844 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 315 7.071 -6.339 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 315 8.110 -5.942 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 315 7.687 -4.682 8.447 1.00 0.00 H new ATOM 397 N PRO A 316 3.316 -2.572 6.607 1.00 0.00 N ATOM 398 CA PRO A 316 2.479 -3.715 6.232 1.00 0.00 C ATOM 399 C PRO A 316 1.958 -3.601 4.805 1.00 0.00 C ATOM 400 O PRO A 316 1.953 -2.516 4.222 1.00 0.00 O ATOM 401 CB PRO A 316 1.329 -3.646 7.232 1.00 0.00 C ATOM 402 CG PRO A 316 1.192 -2.197 7.544 1.00 0.00 C ATOM 403 CD PRO A 316 2.575 -1.605 7.439 1.00 0.00 C ATOM 0 HA PRO A 316 3.028 -4.656 6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.409 -4.049 6.808 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.547 -4.226 8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 316 0.509 -1.713 6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 316 0.783 -2.052 8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 316 2.552 -0.617 6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 316 3.035 -1.488 8.420 1.00 0.00 H new ATOM 411 N SER A 317 1.523 -4.723 4.243 1.00 0.00 N ATOM 412 CA SER A 317 1.003 -4.744 2.879 1.00 0.00 C ATOM 413 C SER A 317 -0.461 -4.306 2.830 1.00 0.00 C ATOM 414 O SER A 317 -1.267 -4.887 2.102 1.00 0.00 O ATOM 415 CB SER A 317 1.151 -6.145 2.278 1.00 0.00 C ATOM 416 OG SER A 317 1.926 -6.984 3.118 1.00 0.00 O ATOM 0 H SER A 317 1.520 -5.630 4.710 1.00 0.00 H new ATOM 0 HA SER A 317 1.586 -4.035 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 317 0.165 -6.586 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 317 1.620 -6.075 1.297 1.00 0.00 H new ATOM 0 HG SER A 317 2.003 -7.872 2.712 1.00 0.00 H new ATOM 422 N HIS A 318 -0.803 -3.274 3.600 1.00 0.00 N ATOM 423 CA HIS A 318 -2.168 -2.764 3.627 1.00 0.00 C ATOM 424 C HIS A 318 -2.176 -1.246 3.785 1.00 0.00 C ATOM 425 O HIS A 318 -1.282 -0.672 4.407 1.00 0.00 O ATOM 426 CB HIS A 318 -2.965 -3.423 4.759 1.00 0.00 C ATOM 427 CG HIS A 318 -2.563 -2.971 6.128 1.00 0.00 C ATOM 428 ND1 HIS A 318 -1.869 -3.771 7.012 1.00 0.00 N ATOM 429 CD2 HIS A 318 -2.762 -1.795 6.766 1.00 0.00 C ATOM 430 CE1 HIS A 318 -1.659 -3.105 8.134 1.00 0.00 C ATOM 431 NE2 HIS A 318 -2.191 -1.904 8.011 1.00 0.00 N ATOM 0 H HIS A 318 -0.154 -2.778 4.211 1.00 0.00 H new ATOM 0 HA HIS A 318 -2.643 -3.012 2.678 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -4.025 -3.212 4.614 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -2.843 -4.504 4.694 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -3.275 -0.931 6.370 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -1.140 -3.480 9.004 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -2.180 -1.175 8.724 1.00 0.00 H new ATOM 440 N CYS A 319 -3.187 -0.603 3.212 1.00 0.00 N ATOM 441 CA CYS A 319 -3.307 0.848 3.283 1.00 0.00 C ATOM 442 C CYS A 319 -3.513 1.316 4.718 1.00 0.00 C ATOM 443 O CYS A 319 -4.501 0.969 5.359 1.00 0.00 O ATOM 444 CB CYS A 319 -4.463 1.330 2.407 1.00 0.00 C ATOM 445 SG CYS A 319 -4.448 3.108 2.086 1.00 0.00 S ATOM 0 H CYS A 319 -3.935 -1.063 2.693 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.375 1.277 2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.431 0.799 1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.405 1.066 2.888 1.00 0.00 H new ATOM 450 N ASN A 320 -2.574 2.113 5.215 1.00 0.00 N ATOM 451 CA ASN A 320 -2.657 2.633 6.575 1.00 0.00 C ATOM 452 C ASN A 320 -3.685 3.761 6.681 1.00 0.00 C ATOM 453 O ASN A 320 -3.939 4.275 7.770 1.00 0.00 O ATOM 454 CB ASN A 320 -1.287 3.134 7.034 1.00 0.00 C ATOM 455 CG ASN A 320 -0.459 2.041 7.681 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.946 1.297 8.533 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.803 1.938 7.280 1.00 0.00 N ATOM 0 H ASN A 320 -1.748 2.413 4.698 1.00 0.00 H new ATOM 0 HA ASN A 320 -2.980 1.818 7.223 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -0.746 3.538 6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.421 3.952 7.742 1.00 0.00 H new ATOM 0 HD21 ASN A 320 1.409 1.222 7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 320 1.167 2.575 6.571 1.00 0.00 H new ATOM 464 N ARG A 321 -4.270 4.146 5.547 1.00 0.00 N ATOM 465 CA ARG A 321 -5.261 5.216 5.529 1.00 0.00 C ATOM 466 C ARG A 321 -6.682 4.656 5.548 1.00 0.00 C ATOM 467 O ARG A 321 -7.441 4.900 6.485 1.00 0.00 O ATOM 468 CB ARG A 321 -5.065 6.097 4.294 1.00 0.00 C ATOM 469 CG ARG A 321 -5.331 7.572 4.550 1.00 0.00 C ATOM 470 CD ARG A 321 -6.621 8.032 3.890 1.00 0.00 C ATOM 471 NE ARG A 321 -7.376 8.947 4.741 1.00 0.00 N ATOM 472 CZ ARG A 321 -8.661 9.241 4.557 1.00 0.00 C ATOM 473 NH1 ARG A 321 -9.337 8.696 3.554 1.00 0.00 N ATOM 474 NH2 ARG A 321 -9.272 10.085 5.379 1.00 0.00 N ATOM 0 H ARG A 321 -4.075 3.734 4.635 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.120 5.818 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -4.044 5.978 3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -5.727 5.749 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -5.387 7.751 5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.497 8.163 4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -6.389 8.524 2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -7.237 7.164 3.655 1.00 0.00 H new ATOM 0 HE ARG A 321 -6.890 9.387 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -8.872 8.048 2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -10.322 8.925 3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -8.757 10.508 6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -10.257 10.311 5.239 1.00 0.00 H new ATOM 488 N CYS A 322 -7.039 3.913 4.504 1.00 0.00 N ATOM 489 CA CYS A 322 -8.376 3.333 4.405 1.00 0.00 C ATOM 490 C CYS A 322 -8.396 1.870 4.859 1.00 0.00 C ATOM 491 O CYS A 322 -9.466 1.280 5.009 1.00 0.00 O ATOM 492 CB CYS A 322 -8.903 3.453 2.968 1.00 0.00 C ATOM 493 SG CYS A 322 -8.284 2.194 1.823 1.00 0.00 S ATOM 0 H CYS A 322 -6.425 3.699 3.718 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.029 3.894 5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -9.991 3.400 2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -8.639 4.437 2.581 1.00 0.00 H new ATOM 498 N TRP A 323 -7.217 1.289 5.076 1.00 0.00 N ATOM 499 CA TRP A 323 -7.122 -0.104 5.510 1.00 0.00 C ATOM 500 C TRP A 323 -7.532 -1.054 4.387 1.00 0.00 C ATOM 501 O TRP A 323 -8.620 -1.629 4.413 1.00 0.00 O ATOM 502 CB TRP A 323 -7.995 -0.339 6.748 1.00 0.00 C ATOM 503 CG TRP A 323 -7.269 -1.032 7.862 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.601 -0.442 8.896 1.00 0.00 C ATOM 505 CD2 TRP A 323 -7.139 -2.445 8.053 1.00 0.00 C ATOM 506 NE1 TRP A 323 -6.062 -1.402 9.718 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.379 -2.640 9.223 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.591 -3.565 7.350 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -6.063 -3.908 9.703 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -7.277 -4.823 7.828 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.519 -4.986 8.995 1.00 0.00 C ATOM 0 H TRP A 323 -6.319 1.758 4.959 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.083 -0.308 5.769 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.369 0.620 7.108 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.863 -0.933 6.464 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.510 0.624 9.046 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.515 -1.222 10.560 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -8.175 -3.449 6.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -5.479 -4.036 10.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.622 -5.695 7.293 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -6.290 -5.983 9.343 1.00 0.00 H new ATOM 522 N ALA A 324 -6.656 -1.212 3.400 1.00 0.00 N ATOM 523 CA ALA A 324 -6.933 -2.093 2.271 1.00 0.00 C ATOM 524 C ALA A 324 -5.663 -2.777 1.778 1.00 0.00 C ATOM 525 O ALA A 324 -4.738 -2.119 1.303 1.00 0.00 O ATOM 526 CB ALA A 324 -7.585 -1.312 1.139 1.00 0.00 C ATOM 0 H ALA A 324 -5.751 -0.743 3.359 1.00 0.00 H new ATOM 0 HA ALA A 324 -7.621 -2.867 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.786 -1.982 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.521 -0.877 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.915 -0.516 0.813 1.00 0.00 H new ATOM 532 N LEU A 325 -5.627 -4.101 1.890 1.00 0.00 N ATOM 533 CA LEU A 325 -4.469 -4.872 1.450 1.00 0.00 C ATOM 534 C LEU A 325 -4.227 -4.678 -0.043 1.00 0.00 C ATOM 535 O LEU A 325 -5.172 -4.556 -0.823 1.00 0.00 O ATOM 536 CB LEU A 325 -4.670 -6.357 1.761 1.00 0.00 C ATOM 537 CG LEU A 325 -4.081 -6.822 3.094 1.00 0.00 C ATOM 538 CD1 LEU A 325 -4.734 -6.081 4.252 1.00 0.00 C ATOM 539 CD2 LEU A 325 -4.250 -8.325 3.257 1.00 0.00 C ATOM 0 H LEU A 325 -6.384 -4.662 2.281 1.00 0.00 H new ATOM 0 HA LEU A 325 -3.594 -4.513 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -5.739 -6.572 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -4.224 -6.945 0.959 1.00 0.00 H new ATOM 0 HG LEU A 325 -3.015 -6.595 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -4.303 -6.424 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -4.561 -5.010 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -5.806 -6.277 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -3.825 -8.638 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -5.310 -8.577 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -3.736 -8.839 2.445 1.00 0.00 H new ATOM 551 N ARG A 326 -2.956 -4.646 -0.435 1.00 0.00 N ATOM 552 CA ARG A 326 -2.594 -4.461 -1.839 1.00 0.00 C ATOM 553 C ARG A 326 -3.357 -5.429 -2.738 1.00 0.00 C ATOM 554 O ARG A 326 -3.864 -6.451 -2.277 1.00 0.00 O ATOM 555 CB ARG A 326 -1.097 -4.647 -2.031 1.00 0.00 C ATOM 556 CG ARG A 326 -0.601 -5.951 -1.467 1.00 0.00 C ATOM 557 CD ARG A 326 0.875 -5.884 -1.124 1.00 0.00 C ATOM 558 NE ARG A 326 1.716 -5.918 -2.318 1.00 0.00 N ATOM 559 CZ ARG A 326 3.027 -5.685 -2.310 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.651 -5.405 -1.172 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.715 -5.731 -3.442 1.00 0.00 N ATOM 0 H ARG A 326 -2.161 -4.745 0.197 1.00 0.00 H new ATOM 0 HA ARG A 326 -2.866 -3.444 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -0.862 -4.602 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -0.568 -3.823 -1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -1.172 -6.202 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -0.772 -6.749 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 326 1.076 -4.970 -0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 326 1.134 -6.719 -0.474 1.00 0.00 H new ATOM 0 HE ARG A 326 1.273 -6.133 -3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 326 3.126 -5.368 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.655 -5.227 -1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 326 3.240 -5.945 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.719 -5.553 -3.436 1.00 0.00 H new ATOM 575 N GLU A 327 -3.433 -5.101 -4.023 1.00 0.00 N ATOM 576 CA GLU A 327 -4.134 -5.943 -4.986 1.00 0.00 C ATOM 577 C GLU A 327 -3.148 -6.701 -5.869 1.00 0.00 C ATOM 578 O GLU A 327 -3.452 -7.027 -7.017 1.00 0.00 O ATOM 579 CB GLU A 327 -5.068 -5.097 -5.853 1.00 0.00 C ATOM 580 CG GLU A 327 -6.136 -5.910 -6.565 1.00 0.00 C ATOM 581 CD GLU A 327 -6.796 -5.142 -7.695 1.00 0.00 C ATOM 582 OE1 GLU A 327 -6.195 -4.156 -8.174 1.00 0.00 O ATOM 583 OE2 GLU A 327 -7.914 -5.525 -8.100 1.00 0.00 O ATOM 0 H GLU A 327 -3.018 -4.259 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 327 -4.726 -6.669 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -5.551 -4.346 -5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -4.476 -4.561 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -5.689 -6.821 -6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -6.896 -6.215 -5.845 1.00 0.00 H new ATOM 590 N ASN A 328 -1.966 -6.980 -5.327 1.00 0.00 N ATOM 591 CA ASN A 328 -0.938 -7.701 -6.069 1.00 0.00 C ATOM 592 C ASN A 328 -0.067 -8.532 -5.130 1.00 0.00 C ATOM 593 O ASN A 328 1.039 -8.127 -4.773 1.00 0.00 O ATOM 594 CB ASN A 328 -0.067 -6.721 -6.857 1.00 0.00 C ATOM 595 CG ASN A 328 -0.805 -6.105 -8.029 1.00 0.00 C ATOM 596 OD1 ASN A 328 -0.801 -6.646 -9.134 1.00 0.00 O ATOM 597 ND2 ASN A 328 -1.444 -4.965 -7.792 1.00 0.00 N ATOM 0 H ASN A 328 -1.697 -6.718 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 328 -1.435 -8.376 -6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 328 0.278 -5.929 -6.192 1.00 0.00 H new ATOM 0 HB3 ASN A 328 0.820 -7.239 -7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -1.958 -4.503 -8.542 1.00 0.00 H new ATOM 0 HD22 ASN A 328 -1.421 -4.552 -6.860 1.00 0.00 H new ATOM 604 N TRP A 329 -0.573 -9.697 -4.735 1.00 0.00 N ATOM 605 CA TRP A 329 0.162 -10.584 -3.841 1.00 0.00 C ATOM 606 C TRP A 329 -0.293 -12.028 -4.010 1.00 0.00 C ATOM 607 O TRP A 329 0.522 -12.929 -4.208 1.00 0.00 O ATOM 608 CB TRP A 329 -0.010 -10.153 -2.384 1.00 0.00 C ATOM 609 CG TRP A 329 -1.430 -9.875 -2.015 1.00 0.00 C ATOM 610 CD1 TRP A 329 -2.283 -9.021 -2.646 1.00 0.00 C ATOM 611 CD2 TRP A 329 -2.166 -10.452 -0.930 1.00 0.00 C ATOM 612 NE1 TRP A 329 -3.503 -9.034 -2.029 1.00 0.00 N ATOM 613 CE2 TRP A 329 -3.460 -9.902 -0.970 1.00 0.00 C ATOM 614 CE3 TRP A 329 -1.859 -11.381 0.069 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -4.446 -10.249 -0.050 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -2.838 -11.725 0.982 1.00 0.00 C ATOM 617 CH2 TRP A 329 -4.118 -11.160 0.917 1.00 0.00 C ATOM 0 H TRP A 329 -1.488 -10.048 -5.020 1.00 0.00 H new ATOM 0 HA TRP A 329 1.217 -10.517 -4.105 1.00 0.00 H new ATOM 0 HB2 TRP A 329 0.381 -10.934 -1.732 1.00 0.00 H new ATOM 0 HB3 TRP A 329 0.587 -9.259 -2.204 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -2.032 -8.421 -3.508 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -4.315 -8.485 -2.312 1.00 0.00 H new ATOM 0 HE3 TRP A 329 -0.875 -11.822 0.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -5.434 -9.815 -0.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -2.612 -12.441 1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -4.861 -11.449 1.645 1.00 0.00 H new ATOM 628 N LEU A 330 -1.599 -12.238 -3.930 1.00 0.00 N ATOM 629 CA LEU A 330 -2.172 -13.572 -4.073 1.00 0.00 C ATOM 630 C LEU A 330 -2.166 -14.014 -5.535 1.00 0.00 C ATOM 631 O LEU A 330 -2.418 -13.212 -6.434 1.00 0.00 O ATOM 632 CB LEU A 330 -3.602 -13.596 -3.529 1.00 0.00 C ATOM 633 CG LEU A 330 -3.719 -13.481 -2.008 1.00 0.00 C ATOM 634 CD1 LEU A 330 -5.038 -12.832 -1.622 1.00 0.00 C ATOM 635 CD2 LEU A 330 -3.588 -14.852 -1.359 1.00 0.00 C ATOM 0 H LEU A 330 -2.285 -11.501 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 330 -1.559 -14.267 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 330 -4.161 -12.778 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 330 -4.079 -14.523 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 330 -2.907 -12.850 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -5.103 -12.759 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -5.094 -11.834 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -5.864 -13.437 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -3.674 -14.752 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -4.379 -15.506 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 330 -2.618 -15.281 -1.608 1.00 0.00 H new ATOM 647 N PRO A 331 -1.877 -15.303 -5.796 1.00 0.00 N ATOM 648 CA PRO A 331 -1.843 -15.842 -7.160 1.00 0.00 C ATOM 649 C PRO A 331 -3.143 -15.587 -7.914 1.00 0.00 C ATOM 650 O PRO A 331 -4.222 -15.962 -7.456 1.00 0.00 O ATOM 651 CB PRO A 331 -1.635 -17.345 -6.949 1.00 0.00 C ATOM 652 CG PRO A 331 -1.001 -17.458 -5.606 1.00 0.00 C ATOM 653 CD PRO A 331 -1.565 -16.332 -4.787 1.00 0.00 C ATOM 0 HA PRO A 331 -1.065 -15.373 -7.762 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -2.582 -17.884 -6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -0.997 -17.768 -7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -1.223 -18.422 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 331 0.084 -17.382 -5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.455 -16.640 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -0.846 -15.970 -4.052 1.00 0.00 H new ATOM 661 N GLU A 332 -3.034 -14.947 -9.074 1.00 0.00 N ATOM 662 CA GLU A 332 -4.202 -14.644 -9.891 1.00 0.00 C ATOM 663 C GLU A 332 -4.817 -15.920 -10.456 1.00 0.00 C ATOM 664 O GLU A 332 -4.273 -17.011 -10.285 1.00 0.00 O ATOM 665 CB GLU A 332 -3.819 -13.698 -11.032 1.00 0.00 C ATOM 666 CG GLU A 332 -2.835 -14.302 -12.019 1.00 0.00 C ATOM 667 CD GLU A 332 -1.403 -13.884 -11.746 1.00 0.00 C ATOM 668 OE1 GLU A 332 -0.953 -14.029 -10.591 1.00 0.00 O ATOM 669 OE2 GLU A 332 -0.733 -13.410 -12.688 1.00 0.00 O ATOM 0 H GLU A 332 -2.149 -14.629 -9.469 1.00 0.00 H new ATOM 0 HA GLU A 332 -4.943 -14.157 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -4.722 -13.403 -11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -3.387 -12.790 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -2.906 -15.389 -11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -3.110 -14.002 -13.030 1.00 0.00 H new ATOM 676 N ASP A 333 -5.952 -15.775 -11.130 1.00 0.00 N ATOM 677 CA ASP A 333 -6.641 -16.918 -11.720 1.00 0.00 C ATOM 678 C ASP A 333 -5.800 -17.546 -12.828 1.00 0.00 C ATOM 679 O ASP A 333 -5.907 -17.165 -13.994 1.00 0.00 O ATOM 680 CB ASP A 333 -8.000 -16.489 -12.276 1.00 0.00 C ATOM 681 CG ASP A 333 -9.069 -16.424 -11.203 1.00 0.00 C ATOM 682 OD1 ASP A 333 -9.519 -17.497 -10.748 1.00 0.00 O ATOM 683 OD2 ASP A 333 -9.457 -15.301 -10.818 1.00 0.00 O ATOM 0 H ASP A 333 -6.415 -14.879 -11.282 1.00 0.00 H new ATOM 0 HA ASP A 333 -6.795 -17.662 -10.938 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -7.904 -15.512 -12.749 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -8.310 -17.189 -13.052 1.00 0.00 H new ATOM 688 N LYS A 334 -4.965 -18.510 -12.455 1.00 0.00 N ATOM 689 CA LYS A 334 -4.107 -19.192 -13.418 1.00 0.00 C ATOM 690 C LYS A 334 -4.897 -20.225 -14.215 1.00 0.00 C ATOM 691 O LYS A 334 -4.656 -20.422 -15.406 1.00 0.00 O ATOM 692 CB LYS A 334 -2.936 -19.867 -12.699 1.00 0.00 C ATOM 693 CG LYS A 334 -1.626 -19.107 -12.823 1.00 0.00 C ATOM 694 CD LYS A 334 -0.612 -19.570 -11.790 1.00 0.00 C ATOM 695 CE LYS A 334 0.517 -18.566 -11.628 1.00 0.00 C ATOM 696 NZ LYS A 334 0.207 -17.544 -10.591 1.00 0.00 N ATOM 0 H LYS A 334 -4.864 -18.837 -11.494 1.00 0.00 H new ATOM 0 HA LYS A 334 -3.717 -18.448 -14.112 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -3.184 -19.977 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -2.803 -20.871 -13.102 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -1.217 -19.247 -13.824 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -1.811 -18.040 -12.700 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -1.109 -19.717 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -0.202 -20.535 -12.088 1.00 0.00 H new ATOM 0 HE2 LYS A 334 1.433 -19.091 -11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 334 0.702 -18.071 -12.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 1.002 -16.878 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -0.653 -17.025 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 0.055 -18.013 -9.675 1.00 0.00 H new ATOM 710 N GLY A 335 -5.843 -20.882 -13.550 1.00 0.00 N ATOM 711 CA GLY A 335 -6.654 -21.886 -14.212 1.00 0.00 C ATOM 712 C GLY A 335 -8.140 -21.647 -14.024 1.00 0.00 C ATOM 713 O GLY A 335 -8.597 -20.516 -14.289 1.00 0.00 O ATOM 714 OXT GLY A 335 -8.845 -22.592 -13.613 1.00 0.00 O ATOM 0 H GLY A 335 -6.062 -20.736 -12.564 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -6.422 -21.892 -15.277 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -6.396 -22.871 -13.824 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.338 3.022 0.802 1.00 0.00 ZN