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 Set 1.1: A 312 ASN : amide:sc= -0.0807 K(o=-0.081,f=-3.4!) USER MOD Set 1.2: A 320 ASN : amide:sc= 0 X(o=-0.081,f=-0.081) USER MOD Single : A 290 SER OG : rot 27:sc= 0.512 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 THR OG1 : rot -4:sc= 0.683 USER MOD Single : A 307 SER OG : rot 180:sc= 0 USER MOD Single : A 309 ASN : amide:sc= -0.801 K(o=-0.8,f=-1.8!) USER MOD Single : A 311 MET CE :methyl 152:sc= -4.14! (180deg=-4.98!) USER MOD Single : A 317 SER OG : rot -123:sc= 0.757 USER MOD Single : A 318 HIS :FLIP no HD1:sc= -9.77! C(o=-12!,f=-9.8!) USER MOD Single : A 328 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.7) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 32.048 -1.696 5.504 1.00 0.00 N ATOM 2 CA SER A 290 31.341 -1.926 6.791 1.00 0.00 C ATOM 3 C SER A 290 29.829 -1.850 6.612 1.00 0.00 C ATOM 4 O SER A 290 29.243 -0.767 6.648 1.00 0.00 O ATOM 5 CB SER A 290 31.806 -0.872 7.798 1.00 0.00 C ATOM 6 OG SER A 290 33.188 -0.601 7.650 1.00 0.00 O ATOM 0 HA SER A 290 31.578 -2.926 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 290 31.235 0.046 7.658 1.00 0.00 H new ATOM 0 HB3 SER A 290 31.607 -1.220 8.812 1.00 0.00 H new ATOM 0 HG SER A 290 33.461 -0.787 6.727 1.00 0.00 H new ATOM 14 N PHE A 291 29.202 -3.006 6.418 1.00 0.00 N ATOM 15 CA PHE A 291 27.758 -3.071 6.234 1.00 0.00 C ATOM 16 C PHE A 291 27.038 -3.083 7.579 1.00 0.00 C ATOM 17 O PHE A 291 27.441 -3.789 8.503 1.00 0.00 O ATOM 18 CB PHE A 291 27.380 -4.315 5.429 1.00 0.00 C ATOM 19 CG PHE A 291 28.086 -4.411 4.107 1.00 0.00 C ATOM 20 CD1 PHE A 291 27.884 -3.453 3.127 1.00 0.00 C ATOM 21 CD2 PHE A 291 28.951 -5.461 3.844 1.00 0.00 C ATOM 22 CE1 PHE A 291 28.531 -3.539 1.910 1.00 0.00 C ATOM 23 CE2 PHE A 291 29.601 -5.553 2.628 1.00 0.00 C ATOM 24 CZ PHE A 291 29.391 -4.590 1.659 1.00 0.00 C ATOM 0 H PHE A 291 29.672 -3.910 6.384 1.00 0.00 H new ATOM 0 HA PHE A 291 27.447 -2.183 5.684 1.00 0.00 H new ATOM 0 HB2 PHE A 291 27.608 -5.203 6.019 1.00 0.00 H new ATOM 0 HB3 PHE A 291 26.304 -4.314 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 291 27.212 -2.629 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 291 29.119 -6.216 4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 291 28.365 -2.785 1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 291 30.272 -6.377 2.435 1.00 0.00 H new ATOM 0 HZ PHE A 291 29.898 -4.659 0.708 1.00 0.00 H new ATOM 34 N GLU A 292 25.970 -2.298 7.680 1.00 0.00 N ATOM 35 CA GLU A 292 25.194 -2.220 8.912 1.00 0.00 C ATOM 36 C GLU A 292 23.729 -2.558 8.651 1.00 0.00 C ATOM 37 O GLU A 292 23.010 -1.795 8.006 1.00 0.00 O ATOM 38 CB GLU A 292 25.307 -0.823 9.523 1.00 0.00 C ATOM 39 CG GLU A 292 26.696 -0.502 10.054 1.00 0.00 C ATOM 40 CD GLU A 292 26.917 0.986 10.245 1.00 0.00 C ATOM 41 OE1 GLU A 292 26.595 1.759 9.317 1.00 0.00 O ATOM 42 OE2 GLU A 292 27.414 1.378 11.321 1.00 0.00 O ATOM 0 H GLU A 292 25.623 -1.708 6.924 1.00 0.00 H new ATOM 0 HA GLU A 292 25.598 -2.949 9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 292 25.035 -0.083 8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 292 24.586 -0.731 10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 292 26.844 -1.013 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 292 27.444 -0.891 9.363 1.00 0.00 H new ATOM 49 N GLU A 293 23.294 -3.707 9.157 1.00 0.00 N ATOM 50 CA GLU A 293 21.915 -4.148 8.979 1.00 0.00 C ATOM 51 C GLU A 293 20.939 -3.149 9.592 1.00 0.00 C ATOM 52 O GLU A 293 20.767 -3.102 10.810 1.00 0.00 O ATOM 53 CB GLU A 293 21.713 -5.528 9.608 1.00 0.00 C ATOM 54 CG GLU A 293 22.079 -6.678 8.684 1.00 0.00 C ATOM 55 CD GLU A 293 21.839 -8.034 9.318 1.00 0.00 C ATOM 56 OE1 GLU A 293 21.882 -8.123 10.563 1.00 0.00 O ATOM 57 OE2 GLU A 293 21.609 -9.007 8.570 1.00 0.00 O ATOM 0 H GLU A 293 23.876 -4.350 9.694 1.00 0.00 H new ATOM 0 HA GLU A 293 21.717 -4.211 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 293 22.314 -5.596 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 293 20.670 -5.632 9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 293 21.496 -6.602 7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 293 23.129 -6.593 8.403 1.00 0.00 H new ATOM 64 N ASP A 294 20.302 -2.354 8.740 1.00 0.00 N ATOM 65 CA ASP A 294 19.341 -1.356 9.197 1.00 0.00 C ATOM 66 C ASP A 294 18.134 -1.296 8.261 1.00 0.00 C ATOM 67 O ASP A 294 18.289 -1.150 7.048 1.00 0.00 O ATOM 68 CB ASP A 294 20.005 0.019 9.282 1.00 0.00 C ATOM 69 CG ASP A 294 19.358 0.909 10.325 1.00 0.00 C ATOM 70 OD1 ASP A 294 18.151 1.204 10.189 1.00 0.00 O ATOM 71 OD2 ASP A 294 20.058 1.315 11.276 1.00 0.00 O ATOM 0 H ASP A 294 20.433 -2.381 7.729 1.00 0.00 H new ATOM 0 HA ASP A 294 18.995 -1.646 10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 294 21.062 -0.105 9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 294 19.951 0.506 8.308 1.00 0.00 H new ATOM 76 N PRO A 295 16.908 -1.405 8.809 1.00 0.00 N ATOM 77 CA PRO A 295 15.681 -1.361 8.009 1.00 0.00 C ATOM 78 C PRO A 295 15.371 0.044 7.501 1.00 0.00 C ATOM 79 O PRO A 295 14.951 0.912 8.266 1.00 0.00 O ATOM 80 CB PRO A 295 14.603 -1.825 8.988 1.00 0.00 C ATOM 81 CG PRO A 295 15.126 -1.446 10.330 1.00 0.00 C ATOM 82 CD PRO A 295 16.623 -1.582 10.247 1.00 0.00 C ATOM 0 HA PRO A 295 15.756 -1.977 7.113 1.00 0.00 H new ATOM 0 HB2 PRO A 295 13.648 -1.342 8.784 1.00 0.00 H new ATOM 0 HB3 PRO A 295 14.438 -2.900 8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 295 14.841 -0.426 10.586 1.00 0.00 H new ATOM 0 HG3 PRO A 295 14.718 -2.095 11.105 1.00 0.00 H new ATOM 0 HD2 PRO A 295 17.128 -0.829 10.852 1.00 0.00 H new ATOM 0 HD3 PRO A 295 16.958 -2.555 10.605 1.00 0.00 H new ATOM 90 N GLU A 296 15.582 0.260 6.207 1.00 0.00 N ATOM 91 CA GLU A 296 15.325 1.559 5.598 1.00 0.00 C ATOM 92 C GLU A 296 14.058 1.523 4.752 1.00 0.00 C ATOM 93 O GLU A 296 13.221 2.422 4.828 1.00 0.00 O ATOM 94 CB GLU A 296 16.516 1.989 4.739 1.00 0.00 C ATOM 95 CG GLU A 296 17.844 1.944 5.475 1.00 0.00 C ATOM 96 CD GLU A 296 18.981 2.532 4.662 1.00 0.00 C ATOM 97 OE1 GLU A 296 18.737 3.505 3.918 1.00 0.00 O ATOM 98 OE2 GLU A 296 20.114 2.018 4.768 1.00 0.00 O ATOM 0 H GLU A 296 15.930 -0.448 5.560 1.00 0.00 H new ATOM 0 HA GLU A 296 15.184 2.285 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 296 16.574 1.343 3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 296 16.345 3.003 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 296 17.753 2.490 6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 296 18.080 0.910 5.728 1.00 0.00 H new ATOM 105 N ILE A 297 13.926 0.475 3.948 1.00 0.00 N ATOM 106 CA ILE A 297 12.763 0.308 3.087 1.00 0.00 C ATOM 107 C ILE A 297 12.472 1.577 2.289 1.00 0.00 C ATOM 108 O ILE A 297 11.750 2.461 2.751 1.00 0.00 O ATOM 109 CB ILE A 297 11.519 -0.072 3.908 1.00 0.00 C ATOM 110 CG1 ILE A 297 11.799 -1.316 4.753 1.00 0.00 C ATOM 111 CG2 ILE A 297 10.326 -0.306 2.993 1.00 0.00 C ATOM 112 CD1 ILE A 297 10.660 -1.686 5.679 1.00 0.00 C ATOM 0 H ILE A 297 14.614 -0.275 3.875 1.00 0.00 H new ATOM 0 HA ILE A 297 12.995 -0.499 2.392 1.00 0.00 H new ATOM 0 HB ILE A 297 11.280 0.755 4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 297 12.006 -2.156 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 297 12.698 -1.148 5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.455 -0.574 3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.114 0.604 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.553 -1.116 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 297 10.928 -2.577 6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 297 10.467 -0.862 6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 297 9.764 -1.886 5.092 1.00 0.00 H new ATOM 124 N SER A 298 13.040 1.660 1.091 1.00 0.00 N ATOM 125 CA SER A 298 12.839 2.819 0.230 1.00 0.00 C ATOM 126 C SER A 298 11.387 2.910 -0.230 1.00 0.00 C ATOM 127 O SER A 298 10.700 1.896 -0.351 1.00 0.00 O ATOM 128 CB SER A 298 13.768 2.748 -0.984 1.00 0.00 C ATOM 129 OG SER A 298 13.930 4.025 -1.578 1.00 0.00 O ATOM 0 H SER A 298 13.643 0.939 0.695 1.00 0.00 H new ATOM 0 HA SER A 298 13.075 3.713 0.807 1.00 0.00 H new ATOM 0 HB2 SER A 298 14.740 2.359 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.361 2.051 -1.717 1.00 0.00 H new ATOM 0 HG SER A 298 14.529 3.953 -2.350 1.00 0.00 H new ATOM 135 N LEU A 299 10.927 4.131 -0.482 1.00 0.00 N ATOM 136 CA LEU A 299 9.557 4.355 -0.927 1.00 0.00 C ATOM 137 C LEU A 299 9.321 3.767 -2.318 1.00 0.00 C ATOM 138 O LEU A 299 8.178 3.584 -2.739 1.00 0.00 O ATOM 139 CB LEU A 299 9.246 5.853 -0.935 1.00 0.00 C ATOM 140 CG LEU A 299 8.497 6.364 0.298 1.00 0.00 C ATOM 141 CD1 LEU A 299 9.466 6.992 1.288 1.00 0.00 C ATOM 142 CD2 LEU A 299 7.423 7.363 -0.104 1.00 0.00 C ATOM 0 H LEU A 299 11.483 4.981 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 299 8.890 3.850 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.183 6.403 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 299 8.654 6.081 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 299 8.012 5.516 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 299 8.916 7.350 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 299 10.198 6.248 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 299 9.979 7.829 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 299 6.902 7.715 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 299 7.885 8.209 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 299 6.711 6.882 -0.775 1.00 0.00 H new ATOM 154 N ALA A 300 10.406 3.481 -3.029 1.00 0.00 N ATOM 155 CA ALA A 300 10.317 2.926 -4.376 1.00 0.00 C ATOM 156 C ALA A 300 9.642 1.557 -4.382 1.00 0.00 C ATOM 157 O ALA A 300 9.039 1.159 -5.378 1.00 0.00 O ATOM 158 CB ALA A 300 11.703 2.833 -4.995 1.00 0.00 C ATOM 0 H ALA A 300 11.359 3.624 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 300 9.700 3.599 -4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.626 2.418 -6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.146 3.828 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.332 2.187 -4.383 1.00 0.00 H new ATOM 164 N ASP A 301 9.754 0.834 -3.273 1.00 0.00 N ATOM 165 CA ASP A 301 9.158 -0.494 -3.167 1.00 0.00 C ATOM 166 C ASP A 301 7.698 -0.427 -2.716 1.00 0.00 C ATOM 167 O ASP A 301 6.997 -1.439 -2.719 1.00 0.00 O ATOM 168 CB ASP A 301 9.960 -1.355 -2.190 1.00 0.00 C ATOM 169 CG ASP A 301 11.368 -1.625 -2.681 1.00 0.00 C ATOM 170 OD1 ASP A 301 11.517 -2.117 -3.820 1.00 0.00 O ATOM 171 OD2 ASP A 301 12.325 -1.345 -1.927 1.00 0.00 O ATOM 0 H ASP A 301 10.250 1.143 -2.437 1.00 0.00 H new ATOM 0 HA ASP A 301 9.183 -0.944 -4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.005 -0.856 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.444 -2.303 -2.036 1.00 0.00 H new ATOM 176 N TYR A 302 7.245 0.760 -2.320 1.00 0.00 N ATOM 177 CA TYR A 302 5.875 0.938 -1.859 1.00 0.00 C ATOM 178 C TYR A 302 4.867 0.477 -2.896 1.00 0.00 C ATOM 179 O TYR A 302 5.227 0.109 -4.014 1.00 0.00 O ATOM 180 CB TYR A 302 5.622 2.404 -1.529 1.00 0.00 C ATOM 181 CG TYR A 302 6.166 2.801 -0.183 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.304 2.189 0.315 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.540 3.768 0.593 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.813 2.522 1.543 1.00 0.00 C ATOM 185 CE2 TYR A 302 6.046 4.114 1.831 1.00 0.00 C ATOM 186 CZ TYR A 302 7.185 3.488 2.303 1.00 0.00 C ATOM 187 OH TYR A 302 7.690 3.827 3.537 1.00 0.00 O ATOM 0 H TYR A 302 7.808 1.611 -2.310 1.00 0.00 H new ATOM 0 HA TYR A 302 5.749 0.326 -0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.077 3.029 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.550 2.597 -1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.800 1.434 -0.276 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.649 4.254 0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.701 2.031 1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.555 4.869 2.427 1.00 0.00 H new ATOM 0 HH TYR A 302 7.130 4.523 3.939 1.00 0.00 H new ATOM 197 N TRP A 303 3.594 0.523 -2.521 1.00 0.00 N ATOM 198 CA TRP A 303 2.522 0.135 -3.422 1.00 0.00 C ATOM 199 C TRP A 303 1.453 1.214 -3.450 1.00 0.00 C ATOM 200 O TRP A 303 1.483 2.153 -2.651 1.00 0.00 O ATOM 201 CB TRP A 303 1.913 -1.207 -3.011 1.00 0.00 C ATOM 202 CG TRP A 303 1.490 -1.262 -1.576 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.281 -1.495 -0.482 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.161 -1.078 -1.081 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.517 -1.464 0.663 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.211 -1.207 0.319 1.00 0.00 C ATOM 207 CE3 TRP A 303 -1.066 -0.815 -1.692 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.926 -1.077 1.117 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.190 -0.685 -0.901 1.00 0.00 C ATOM 210 CH2 TRP A 303 -2.115 -0.814 0.487 1.00 0.00 C ATOM 0 H TRP A 303 3.282 0.826 -1.598 1.00 0.00 H new ATOM 0 HA TRP A 303 2.940 0.020 -4.422 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.049 -1.413 -3.643 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.640 -1.998 -3.197 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.345 -1.676 -0.513 1.00 0.00 H new ATOM 0 HE1 TRP A 303 1.863 -1.608 1.611 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -1.135 -0.715 -2.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.872 -1.180 2.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.144 -0.480 -1.364 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -3.013 -0.704 1.077 1.00 0.00 H new ATOM 221 N LYS A 304 0.516 1.083 -4.377 1.00 0.00 N ATOM 222 CA LYS A 304 -0.556 2.063 -4.511 1.00 0.00 C ATOM 223 C LYS A 304 -1.916 1.456 -4.202 1.00 0.00 C ATOM 224 O LYS A 304 -2.379 0.549 -4.895 1.00 0.00 O ATOM 225 CB LYS A 304 -0.570 2.659 -5.919 1.00 0.00 C ATOM 226 CG LYS A 304 -1.632 3.733 -6.111 1.00 0.00 C ATOM 227 CD LYS A 304 -1.039 5.128 -5.989 1.00 0.00 C ATOM 228 CE LYS A 304 -0.136 5.455 -7.167 1.00 0.00 C ATOM 229 NZ LYS A 304 0.338 6.865 -7.128 1.00 0.00 N ATOM 0 H LYS A 304 0.474 0.313 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.361 2.853 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.410 3.085 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -0.737 1.860 -6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -2.095 3.617 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.420 3.605 -5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.843 5.862 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -0.471 5.203 -5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 304 0.722 4.783 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 304 -0.675 5.279 -8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 0.951 7.048 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 -0.480 7.507 -7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 0.875 7.027 -6.252 1.00 0.00 H new ATOM 243 N CYS A 305 -2.557 1.978 -3.166 1.00 0.00 N ATOM 244 CA CYS A 305 -3.877 1.507 -2.768 1.00 0.00 C ATOM 245 C CYS A 305 -4.912 1.903 -3.823 1.00 0.00 C ATOM 246 O CYS A 305 -5.113 3.083 -4.101 1.00 0.00 O ATOM 247 CB CYS A 305 -4.216 2.067 -1.379 1.00 0.00 C ATOM 248 SG CYS A 305 -5.974 2.196 -0.982 1.00 0.00 S ATOM 0 H CYS A 305 -2.184 2.729 -2.585 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.887 0.419 -2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.740 1.435 -0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -3.771 3.058 -1.290 1.00 0.00 H new ATOM 254 N THR A 306 -5.540 0.897 -4.430 1.00 0.00 N ATOM 255 CA THR A 306 -6.528 1.122 -5.487 1.00 0.00 C ATOM 256 C THR A 306 -7.803 1.787 -4.971 1.00 0.00 C ATOM 257 O THR A 306 -8.663 2.179 -5.760 1.00 0.00 O ATOM 258 CB THR A 306 -6.878 -0.203 -6.165 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.990 -0.047 -7.028 1.00 0.00 O ATOM 260 CG2 THR A 306 -7.209 -1.309 -5.185 1.00 0.00 C ATOM 0 H THR A 306 -5.382 -0.086 -4.208 1.00 0.00 H new ATOM 0 HA THR A 306 -6.075 1.804 -6.206 1.00 0.00 H new ATOM 0 HB THR A 306 -5.984 -0.487 -6.720 1.00 0.00 H new ATOM 0 HG1 THR A 306 -8.339 0.865 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 306 -7.448 -2.221 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 306 -6.352 -1.489 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 306 -8.066 -1.014 -4.580 1.00 0.00 H new ATOM 268 N SER A 307 -7.929 1.913 -3.658 1.00 0.00 N ATOM 269 CA SER A 307 -9.106 2.532 -3.068 1.00 0.00 C ATOM 270 C SER A 307 -9.004 4.050 -3.116 1.00 0.00 C ATOM 271 O SER A 307 -9.667 4.705 -3.920 1.00 0.00 O ATOM 272 CB SER A 307 -9.285 2.061 -1.622 1.00 0.00 C ATOM 273 OG SER A 307 -10.561 1.475 -1.431 1.00 0.00 O ATOM 0 H SER A 307 -7.233 1.596 -2.983 1.00 0.00 H new ATOM 0 HA SER A 307 -9.977 2.229 -3.650 1.00 0.00 H new ATOM 0 HB2 SER A 307 -8.508 1.338 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 307 -9.164 2.905 -0.943 1.00 0.00 H new ATOM 0 HG SER A 307 -10.650 1.181 -0.500 1.00 0.00 H new ATOM 279 N CYS A 308 -8.173 4.600 -2.243 1.00 0.00 N ATOM 280 CA CYS A 308 -7.983 6.047 -2.176 1.00 0.00 C ATOM 281 C CYS A 308 -6.751 6.504 -2.959 1.00 0.00 C ATOM 282 O CYS A 308 -6.526 7.704 -3.116 1.00 0.00 O ATOM 283 CB CYS A 308 -7.884 6.513 -0.721 1.00 0.00 C ATOM 284 SG CYS A 308 -6.773 5.527 0.307 1.00 0.00 S ATOM 0 H CYS A 308 -7.619 4.070 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 308 -8.857 6.504 -2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -7.547 7.550 -0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.880 6.495 -0.278 1.00 0.00 H new ATOM 290 N ASN A 309 -5.948 5.552 -3.442 1.00 0.00 N ATOM 291 CA ASN A 309 -4.739 5.880 -4.201 1.00 0.00 C ATOM 292 C ASN A 309 -3.616 6.311 -3.266 1.00 0.00 C ATOM 293 O ASN A 309 -2.776 7.136 -3.629 1.00 0.00 O ATOM 294 CB ASN A 309 -5.022 6.981 -5.229 1.00 0.00 C ATOM 295 CG ASN A 309 -4.480 6.640 -6.603 1.00 0.00 C ATOM 296 OD1 ASN A 309 -3.411 7.108 -6.995 1.00 0.00 O ATOM 297 ND2 ASN A 309 -5.216 5.820 -7.343 1.00 0.00 N ATOM 0 H ASN A 309 -6.112 4.553 -3.322 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.424 4.983 -4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.098 7.145 -5.296 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.578 7.916 -4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -4.902 5.554 -8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -6.096 5.455 -6.978 1.00 0.00 H new ATOM 304 N GLU A 310 -3.602 5.744 -2.064 1.00 0.00 N ATOM 305 CA GLU A 310 -2.576 6.067 -1.081 1.00 0.00 C ATOM 306 C GLU A 310 -1.320 5.248 -1.332 1.00 0.00 C ATOM 307 O GLU A 310 -1.377 4.172 -1.929 1.00 0.00 O ATOM 308 CB GLU A 310 -3.085 5.797 0.338 1.00 0.00 C ATOM 309 CG GLU A 310 -2.610 6.813 1.364 1.00 0.00 C ATOM 310 CD GLU A 310 -3.612 7.931 1.585 1.00 0.00 C ATOM 311 OE1 GLU A 310 -4.808 7.722 1.293 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.201 9.013 2.051 1.00 0.00 O ATOM 0 H GLU A 310 -4.289 5.059 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.338 7.126 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.175 5.788 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.761 4.803 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.421 6.307 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.662 7.239 1.036 1.00 0.00 H new ATOM 319 N MET A 311 -0.190 5.751 -0.857 1.00 0.00 N ATOM 320 CA MET A 311 1.072 5.053 -1.012 1.00 0.00 C ATOM 321 C MET A 311 1.432 4.377 0.301 1.00 0.00 C ATOM 322 O MET A 311 1.246 4.952 1.374 1.00 0.00 O ATOM 323 CB MET A 311 2.176 6.023 -1.435 1.00 0.00 C ATOM 324 CG MET A 311 2.100 6.429 -2.900 1.00 0.00 C ATOM 325 SD MET A 311 3.621 6.075 -3.805 1.00 0.00 S ATOM 326 CE MET A 311 3.945 4.395 -3.278 1.00 0.00 C ATOM 0 H MET A 311 -0.124 6.640 -0.361 1.00 0.00 H new ATOM 0 HA MET A 311 0.972 4.299 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.120 6.918 -0.815 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.146 5.563 -1.244 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.270 5.905 -3.375 1.00 0.00 H new ATOM 0 HG3 MET A 311 1.883 7.495 -2.966 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.498 3.870 -4.057 1.00 0.00 H new ATOM 0 HE2 MET A 311 4.534 4.409 -2.361 1.00 0.00 H new ATOM 0 HE3 MET A 311 3.001 3.882 -3.095 1.00 0.00 H new ATOM 336 N ASN A 312 1.920 3.151 0.221 1.00 0.00 N ATOM 337 CA ASN A 312 2.268 2.405 1.422 1.00 0.00 C ATOM 338 C ASN A 312 3.517 1.567 1.213 1.00 0.00 C ATOM 339 O ASN A 312 3.863 1.225 0.084 1.00 0.00 O ATOM 340 CB ASN A 312 1.109 1.497 1.805 1.00 0.00 C ATOM 341 CG ASN A 312 -0.150 2.271 2.143 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.395 2.605 3.302 1.00 0.00 O ATOM 343 ND2 ASN A 312 -0.959 2.560 1.129 1.00 0.00 N ATOM 0 H ASN A 312 2.084 2.653 -0.654 1.00 0.00 H new ATOM 0 HA ASN A 312 2.468 3.120 2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.901 0.813 0.982 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.397 0.887 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -1.822 3.078 1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -0.717 2.264 0.183 1.00 0.00 H new ATOM 350 N PRO A 313 4.207 1.204 2.307 1.00 0.00 N ATOM 351 CA PRO A 313 5.409 0.388 2.229 1.00 0.00 C ATOM 352 C PRO A 313 5.084 -1.078 1.992 1.00 0.00 C ATOM 353 O PRO A 313 3.923 -1.484 2.034 1.00 0.00 O ATOM 354 CB PRO A 313 6.053 0.584 3.598 1.00 0.00 C ATOM 355 CG PRO A 313 4.903 0.802 4.510 1.00 0.00 C ATOM 356 CD PRO A 313 3.863 1.542 3.703 1.00 0.00 C ATOM 0 HA PRO A 313 6.054 0.675 1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.636 -0.288 3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.732 1.437 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.510 -0.147 4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 313 5.203 1.381 5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.853 1.220 3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.908 2.617 3.879 1.00 0.00 H new ATOM 364 N PRO A 314 6.112 -1.887 1.729 1.00 0.00 N ATOM 365 CA PRO A 314 5.947 -3.316 1.477 1.00 0.00 C ATOM 366 C PRO A 314 5.649 -4.115 2.747 1.00 0.00 C ATOM 367 O PRO A 314 5.142 -5.234 2.675 1.00 0.00 O ATOM 368 CB PRO A 314 7.292 -3.729 0.881 1.00 0.00 C ATOM 369 CG PRO A 314 8.273 -2.748 1.424 1.00 0.00 C ATOM 370 CD PRO A 314 7.524 -1.462 1.645 1.00 0.00 C ATOM 0 HA PRO A 314 5.097 -3.514 0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.554 -4.748 1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.266 -3.700 -0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.705 -3.109 2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 314 9.098 -2.600 0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.847 -0.963 2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.683 -0.761 0.826 1.00 0.00 H new ATOM 378 N LEU A 315 5.985 -3.550 3.908 1.00 0.00 N ATOM 379 CA LEU A 315 5.768 -4.240 5.181 1.00 0.00 C ATOM 380 C LEU A 315 4.315 -4.693 5.347 1.00 0.00 C ATOM 381 O LEU A 315 4.055 -5.870 5.594 1.00 0.00 O ATOM 382 CB LEU A 315 6.187 -3.352 6.358 1.00 0.00 C ATOM 383 CG LEU A 315 7.602 -2.772 6.259 1.00 0.00 C ATOM 384 CD1 LEU A 315 7.552 -1.261 6.100 1.00 0.00 C ATOM 385 CD2 LEU A 315 8.422 -3.154 7.482 1.00 0.00 C ATOM 0 H LEU A 315 6.405 -2.624 3.994 1.00 0.00 H new ATOM 0 HA LEU A 315 6.392 -5.133 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 315 5.478 -2.528 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.112 -3.933 7.277 1.00 0.00 H new ATOM 0 HG LEU A 315 8.084 -3.193 5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 315 8.567 -0.869 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 315 7.003 -1.009 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 315 7.050 -0.821 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 315 9.424 -2.733 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 315 7.942 -2.763 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 315 8.489 -4.240 7.550 1.00 0.00 H new ATOM 397 N PRO A 316 3.342 -3.774 5.211 1.00 0.00 N ATOM 398 CA PRO A 316 1.926 -4.104 5.347 1.00 0.00 C ATOM 399 C PRO A 316 1.330 -4.618 4.044 1.00 0.00 C ATOM 400 O PRO A 316 2.057 -4.958 3.110 1.00 0.00 O ATOM 401 CB PRO A 316 1.310 -2.760 5.722 1.00 0.00 C ATOM 402 CG PRO A 316 2.143 -1.762 4.994 1.00 0.00 C ATOM 403 CD PRO A 316 3.535 -2.343 4.913 1.00 0.00 C ATOM 0 HA PRO A 316 1.746 -4.898 6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.264 -2.703 5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.340 -2.594 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.742 -1.575 3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.151 -0.807 5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 316 3.972 -2.196 3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 316 4.206 -1.873 5.631 1.00 0.00 H new ATOM 411 N SER A 317 0.005 -4.669 3.982 1.00 0.00 N ATOM 412 CA SER A 317 -0.681 -5.137 2.786 1.00 0.00 C ATOM 413 C SER A 317 -1.811 -4.186 2.399 1.00 0.00 C ATOM 414 O SER A 317 -1.970 -3.851 1.226 1.00 0.00 O ATOM 415 CB SER A 317 -1.218 -6.550 3.000 1.00 0.00 C ATOM 416 OG SER A 317 -0.206 -7.518 2.782 1.00 0.00 O ATOM 0 H SER A 317 -0.614 -4.393 4.744 1.00 0.00 H new ATOM 0 HA SER A 317 0.037 -5.159 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 317 -1.605 -6.646 4.015 1.00 0.00 H new ATOM 0 HB3 SER A 317 -2.052 -6.732 2.322 1.00 0.00 H new ATOM 0 HG SER A 317 -0.501 -8.151 2.095 1.00 0.00 H new ATOM 422 N HIS A 318 -2.581 -3.732 3.388 1.00 0.00 N ATOM 423 CA HIS A 318 -3.673 -2.798 3.117 1.00 0.00 C ATOM 424 C HIS A 318 -3.259 -1.380 3.441 1.00 0.00 C ATOM 425 O HIS A 318 -2.349 -1.139 4.234 1.00 0.00 O ATOM 426 CB HIS A 318 -4.975 -3.122 3.871 1.00 0.00 C ATOM 427 CG HIS A 318 -4.818 -3.978 5.071 1.00 0.00 C ATOM 428 ND1 HIS A 318 -3.897 -3.955 6.040 1.00 0.00 N flip ATOM 429 CD2 HIS A 318 -5.684 -5.000 5.380 1.00 0.00 C flip ATOM 430 CE1 HIS A 318 -4.207 -4.961 6.923 1.00 0.00 C flip ATOM 431 NE2 HIS A 318 -5.295 -5.578 6.495 1.00 0.00 N flip ATOM 0 H HIS A 318 -2.472 -3.991 4.369 1.00 0.00 H new ATOM 0 HA HIS A 318 -3.882 -2.904 2.052 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -5.443 -2.185 4.173 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.661 -3.614 3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -6.548 -5.284 4.798 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -3.654 -5.207 7.818 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -5.754 -6.367 6.951 1.00 0.00 H new ATOM 440 N CYS A 319 -3.943 -0.452 2.806 1.00 0.00 N ATOM 441 CA CYS A 319 -3.680 0.966 2.993 1.00 0.00 C ATOM 442 C CYS A 319 -3.787 1.339 4.469 1.00 0.00 C ATOM 443 O CYS A 319 -4.703 0.900 5.166 1.00 0.00 O ATOM 444 CB CYS A 319 -4.658 1.783 2.145 1.00 0.00 C ATOM 445 SG CYS A 319 -4.721 3.547 2.539 1.00 0.00 S ATOM 0 H CYS A 319 -4.695 -0.654 2.147 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.664 1.191 2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.388 1.670 1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.657 1.363 2.264 1.00 0.00 H new ATOM 450 N ASN A 320 -2.837 2.142 4.938 1.00 0.00 N ATOM 451 CA ASN A 320 -2.807 2.568 6.335 1.00 0.00 C ATOM 452 C ASN A 320 -3.811 3.686 6.613 1.00 0.00 C ATOM 453 O ASN A 320 -3.578 4.541 7.467 1.00 0.00 O ATOM 454 CB ASN A 320 -1.398 3.031 6.712 1.00 0.00 C ATOM 455 CG ASN A 320 -0.560 1.911 7.298 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.651 1.609 8.488 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.264 1.287 6.463 1.00 0.00 N ATOM 0 H ASN A 320 -2.075 2.512 4.370 1.00 0.00 H new ATOM 0 HA ASN A 320 -3.088 1.710 6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -0.900 3.429 5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.467 3.845 7.433 1.00 0.00 H new ATOM 0 HD21 ASN A 320 0.852 0.526 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 320 0.308 1.569 5.484 1.00 0.00 H new ATOM 464 N ARG A 321 -4.932 3.667 5.899 1.00 0.00 N ATOM 465 CA ARG A 321 -5.973 4.669 6.077 1.00 0.00 C ATOM 466 C ARG A 321 -7.347 4.034 5.899 1.00 0.00 C ATOM 467 O ARG A 321 -8.186 4.074 6.798 1.00 0.00 O ATOM 468 CB ARG A 321 -5.792 5.813 5.077 1.00 0.00 C ATOM 469 CG ARG A 321 -4.413 6.451 5.119 1.00 0.00 C ATOM 470 CD ARG A 321 -4.495 7.968 5.044 1.00 0.00 C ATOM 471 NE ARG A 321 -5.006 8.550 6.282 1.00 0.00 N ATOM 472 CZ ARG A 321 -4.910 9.842 6.590 1.00 0.00 C ATOM 473 NH1 ARG A 321 -4.322 10.688 5.753 1.00 0.00 N ATOM 474 NH2 ARG A 321 -5.401 10.288 7.737 1.00 0.00 N ATOM 0 H ARG A 321 -5.142 2.965 5.189 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.896 5.073 7.086 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -5.978 5.437 4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.543 6.578 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -3.904 6.159 6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -3.813 6.077 4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -3.506 8.375 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -5.141 8.256 4.214 1.00 0.00 H new ATOM 0 HE ARG A 321 -5.464 7.930 6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -3.941 10.349 4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -4.251 11.677 5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -5.853 9.642 8.384 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -5.327 11.278 7.973 1.00 0.00 H new ATOM 488 N CYS A 322 -7.563 3.444 4.729 1.00 0.00 N ATOM 489 CA CYS A 322 -8.828 2.792 4.420 1.00 0.00 C ATOM 490 C CYS A 322 -8.742 1.277 4.631 1.00 0.00 C ATOM 491 O CYS A 322 -9.764 0.590 4.661 1.00 0.00 O ATOM 492 CB CYS A 322 -9.249 3.115 2.981 1.00 0.00 C ATOM 493 SG CYS A 322 -8.370 2.178 1.707 1.00 0.00 S ATOM 0 H CYS A 322 -6.875 3.404 3.977 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.584 3.176 5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.318 2.927 2.879 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -9.094 4.179 2.802 1.00 0.00 H new ATOM 498 N TRP A 323 -7.521 0.756 4.774 1.00 0.00 N ATOM 499 CA TRP A 323 -7.314 -0.674 4.980 1.00 0.00 C ATOM 500 C TRP A 323 -7.676 -1.473 3.728 1.00 0.00 C ATOM 501 O TRP A 323 -8.121 -2.618 3.819 1.00 0.00 O ATOM 502 CB TRP A 323 -8.131 -1.173 6.175 1.00 0.00 C ATOM 503 CG TRP A 323 -7.288 -1.562 7.352 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.453 -0.754 8.066 1.00 0.00 C ATOM 505 CD2 TRP A 323 -7.200 -2.861 7.951 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.851 -1.469 9.073 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.294 -2.765 9.023 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.801 -4.095 7.685 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.975 -3.855 9.828 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -7.483 -5.176 8.485 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.578 -5.050 9.547 1.00 0.00 C ATOM 0 H TRP A 323 -6.662 1.306 4.750 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.255 -0.826 5.189 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.829 -0.393 6.479 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.727 -2.031 5.865 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.289 0.295 7.869 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.183 -1.096 9.748 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -8.501 -4.201 6.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -5.276 -3.760 10.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.940 -6.135 8.288 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -6.352 -5.913 10.156 1.00 0.00 H new ATOM 522 N ALA A 324 -7.466 -0.873 2.560 1.00 0.00 N ATOM 523 CA ALA A 324 -7.754 -1.545 1.297 1.00 0.00 C ATOM 524 C ALA A 324 -6.620 -2.493 0.942 1.00 0.00 C ATOM 525 O ALA A 324 -5.691 -2.121 0.226 1.00 0.00 O ATOM 526 CB ALA A 324 -7.961 -0.531 0.183 1.00 0.00 C ATOM 0 H ALA A 324 -7.099 0.074 2.462 1.00 0.00 H new ATOM 0 HA ALA A 324 -8.674 -2.119 1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -8.174 -1.053 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.799 0.120 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -7.059 0.069 0.065 1.00 0.00 H new ATOM 532 N LEU A 325 -6.690 -3.713 1.459 1.00 0.00 N ATOM 533 CA LEU A 325 -5.651 -4.705 1.211 1.00 0.00 C ATOM 534 C LEU A 325 -5.317 -4.792 -0.275 1.00 0.00 C ATOM 535 O LEU A 325 -6.131 -5.228 -1.089 1.00 0.00 O ATOM 536 CB LEU A 325 -6.064 -6.063 1.775 1.00 0.00 C ATOM 537 CG LEU A 325 -4.899 -6.967 2.154 1.00 0.00 C ATOM 538 CD1 LEU A 325 -4.268 -6.480 3.440 1.00 0.00 C ATOM 539 CD2 LEU A 325 -5.361 -8.407 2.300 1.00 0.00 C ATOM 0 H LEU A 325 -7.454 -4.039 2.051 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.744 -4.390 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.686 -5.903 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -6.682 -6.576 1.038 1.00 0.00 H new ATOM 0 HG LEU A 325 -4.155 -6.930 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -3.435 -7.131 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -3.904 -5.462 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -5.010 -6.496 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -4.513 -9.036 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -6.121 -8.468 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -5.781 -8.752 1.355 1.00 0.00 H new ATOM 551 N ARG A 326 -4.108 -4.341 -0.607 1.00 0.00 N ATOM 552 CA ARG A 326 -3.617 -4.324 -1.981 1.00 0.00 C ATOM 553 C ARG A 326 -3.742 -5.693 -2.652 1.00 0.00 C ATOM 554 O ARG A 326 -4.495 -6.551 -2.192 1.00 0.00 O ATOM 555 CB ARG A 326 -2.173 -3.835 -1.988 1.00 0.00 C ATOM 556 CG ARG A 326 -1.170 -4.914 -1.682 1.00 0.00 C ATOM 557 CD ARG A 326 -0.058 -4.425 -0.768 1.00 0.00 C ATOM 558 NE ARG A 326 1.209 -4.277 -1.482 1.00 0.00 N ATOM 559 CZ ARG A 326 2.406 -4.433 -0.918 1.00 0.00 C ATOM 560 NH1 ARG A 326 2.511 -4.722 0.374 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.504 -4.294 -1.649 1.00 0.00 N ATOM 0 H ARG A 326 -3.441 -3.976 0.073 1.00 0.00 H new ATOM 0 HA ARG A 326 -4.235 -3.640 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -1.948 -3.408 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -2.066 -3.033 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -1.678 -5.757 -1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -0.738 -5.280 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -0.342 -3.468 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.070 -5.127 0.056 1.00 0.00 H new ATOM 0 HE ARG A 326 1.175 -4.040 -2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 326 1.671 -4.826 0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 326 3.432 -4.840 0.797 1.00 0.00 H new ATOM 0 HH21 ARG A 326 3.431 -4.068 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.421 -4.413 -1.219 1.00 0.00 H new ATOM 575 N GLU A 327 -3.005 -5.900 -3.745 1.00 0.00 N ATOM 576 CA GLU A 327 -3.062 -7.178 -4.461 1.00 0.00 C ATOM 577 C GLU A 327 -1.729 -7.552 -5.124 1.00 0.00 C ATOM 578 O GLU A 327 -1.691 -8.426 -5.991 1.00 0.00 O ATOM 579 CB GLU A 327 -4.164 -7.134 -5.521 1.00 0.00 C ATOM 580 CG GLU A 327 -5.526 -7.555 -4.995 1.00 0.00 C ATOM 581 CD GLU A 327 -5.675 -9.060 -4.902 1.00 0.00 C ATOM 582 OE1 GLU A 327 -5.618 -9.728 -5.956 1.00 0.00 O ATOM 583 OE2 GLU A 327 -5.849 -9.571 -3.776 1.00 0.00 O ATOM 0 H GLU A 327 -2.371 -5.212 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 327 -3.280 -7.945 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.234 -6.122 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -3.886 -7.785 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -5.682 -7.117 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -6.303 -7.156 -5.648 1.00 0.00 H new ATOM 590 N ASN A 328 -0.641 -6.899 -4.723 1.00 0.00 N ATOM 591 CA ASN A 328 0.675 -7.186 -5.297 1.00 0.00 C ATOM 592 C ASN A 328 1.679 -7.637 -4.225 1.00 0.00 C ATOM 593 O ASN A 328 2.734 -7.027 -4.053 1.00 0.00 O ATOM 594 CB ASN A 328 1.205 -5.950 -6.033 1.00 0.00 C ATOM 595 CG ASN A 328 1.330 -6.179 -7.527 1.00 0.00 C ATOM 596 OD1 ASN A 328 1.672 -7.274 -7.972 1.00 0.00 O ATOM 597 ND2 ASN A 328 1.052 -5.143 -8.309 1.00 0.00 N ATOM 0 H ASN A 328 -0.642 -6.172 -4.008 1.00 0.00 H new ATOM 0 HA ASN A 328 0.559 -8.008 -6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 328 0.537 -5.108 -5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 328 2.179 -5.678 -5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 328 1.118 -5.237 -9.323 1.00 0.00 H new ATOM 0 HD22 ASN A 328 0.772 -4.253 -7.896 1.00 0.00 H new ATOM 604 N TRP A 329 1.343 -8.708 -3.505 1.00 0.00 N ATOM 605 CA TRP A 329 2.208 -9.237 -2.455 1.00 0.00 C ATOM 606 C TRP A 329 2.324 -10.753 -2.565 1.00 0.00 C ATOM 607 O TRP A 329 3.325 -11.278 -3.052 1.00 0.00 O ATOM 608 CB TRP A 329 1.673 -8.855 -1.067 1.00 0.00 C ATOM 609 CG TRP A 329 0.195 -8.612 -1.034 1.00 0.00 C ATOM 610 CD1 TRP A 329 -0.497 -7.766 -1.840 1.00 0.00 C ATOM 611 CD2 TRP A 329 -0.772 -9.207 -0.155 1.00 0.00 C ATOM 612 NE1 TRP A 329 -1.829 -7.812 -1.540 1.00 0.00 N ATOM 613 CE2 TRP A 329 -2.024 -8.676 -0.509 1.00 0.00 C ATOM 614 CE3 TRP A 329 -0.711 -10.135 0.890 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -3.197 -9.032 0.131 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -1.883 -10.492 1.530 1.00 0.00 C ATOM 617 CH2 TRP A 329 -3.112 -9.942 1.149 1.00 0.00 C ATOM 0 H TRP A 329 0.474 -9.227 -3.632 1.00 0.00 H new ATOM 0 HA TRP A 329 3.198 -8.798 -2.583 1.00 0.00 H new ATOM 0 HB2 TRP A 329 1.917 -9.650 -0.363 1.00 0.00 H new ATOM 0 HB3 TRP A 329 2.187 -7.957 -0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -0.058 -7.146 -2.608 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -2.561 -7.282 -2.014 1.00 0.00 H new ATOM 0 HE3 TRP A 329 0.233 -10.564 1.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -4.146 -8.607 -0.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -1.850 -11.208 2.338 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -4.010 -10.242 1.668 1.00 0.00 H new ATOM 628 N LEU A 330 1.290 -11.448 -2.107 1.00 0.00 N ATOM 629 CA LEU A 330 1.266 -12.905 -2.151 1.00 0.00 C ATOM 630 C LEU A 330 1.310 -13.407 -3.591 1.00 0.00 C ATOM 631 O LEU A 330 1.012 -12.663 -4.525 1.00 0.00 O ATOM 632 CB LEU A 330 0.016 -13.434 -1.451 1.00 0.00 C ATOM 633 CG LEU A 330 -1.298 -13.024 -2.113 1.00 0.00 C ATOM 634 CD1 LEU A 330 -2.140 -14.247 -2.445 1.00 0.00 C ATOM 635 CD2 LEU A 330 -2.073 -12.067 -1.221 1.00 0.00 C ATOM 0 H LEU A 330 0.456 -11.025 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 330 2.149 -13.275 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 330 0.067 -14.522 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 330 0.015 -13.081 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 330 -1.062 -12.509 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -3.071 -13.931 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -1.589 -14.893 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -2.364 -14.794 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -3.006 -11.787 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -2.294 -12.553 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 330 -1.476 -11.173 -1.041 1.00 0.00 H new ATOM 647 N PRO A 331 1.685 -14.682 -3.791 1.00 0.00 N ATOM 648 CA PRO A 331 1.766 -15.281 -5.128 1.00 0.00 C ATOM 649 C PRO A 331 0.482 -15.087 -5.927 1.00 0.00 C ATOM 650 O PRO A 331 -0.525 -14.612 -5.399 1.00 0.00 O ATOM 651 CB PRO A 331 2.000 -16.765 -4.840 1.00 0.00 C ATOM 652 CG PRO A 331 2.646 -16.793 -3.498 1.00 0.00 C ATOM 653 CD PRO A 331 2.058 -15.641 -2.733 1.00 0.00 C ATOM 0 HA PRO A 331 2.549 -14.824 -5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 331 1.062 -17.321 -4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 331 2.640 -17.219 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 331 2.452 -17.738 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 331 3.728 -16.693 -3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 331 1.192 -15.948 -2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 331 2.779 -15.211 -2.037 1.00 0.00 H new ATOM 661 N GLU A 332 0.522 -15.457 -7.203 1.00 0.00 N ATOM 662 CA GLU A 332 -0.639 -15.324 -8.074 1.00 0.00 C ATOM 663 C GLU A 332 -1.481 -16.596 -8.059 1.00 0.00 C ATOM 664 O GLU A 332 -1.032 -17.654 -8.500 1.00 0.00 O ATOM 665 CB GLU A 332 -0.193 -15.009 -9.504 1.00 0.00 C ATOM 666 CG GLU A 332 0.845 -13.902 -9.588 1.00 0.00 C ATOM 667 CD GLU A 332 2.265 -14.435 -9.578 1.00 0.00 C ATOM 668 OE1 GLU A 332 2.517 -15.464 -10.240 1.00 0.00 O ATOM 669 OE2 GLU A 332 3.124 -13.824 -8.908 1.00 0.00 O ATOM 0 H GLU A 332 1.346 -15.851 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 332 -1.251 -14.503 -7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 332 0.215 -15.913 -9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -1.065 -14.724 -10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 332 0.683 -13.325 -10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 332 0.711 -13.218 -8.750 1.00 0.00 H new ATOM 676 N ASP A 333 -2.704 -16.484 -7.548 1.00 0.00 N ATOM 677 CA ASP A 333 -3.609 -17.626 -7.477 1.00 0.00 C ATOM 678 C ASP A 333 -3.983 -18.111 -8.873 1.00 0.00 C ATOM 679 O ASP A 333 -4.221 -19.300 -9.085 1.00 0.00 O ATOM 680 CB ASP A 333 -4.872 -17.255 -6.698 1.00 0.00 C ATOM 681 CG ASP A 333 -5.485 -15.955 -7.178 1.00 0.00 C ATOM 682 OD1 ASP A 333 -4.780 -14.924 -7.163 1.00 0.00 O ATOM 683 OD2 ASP A 333 -6.672 -15.967 -7.567 1.00 0.00 O ATOM 0 H ASP A 333 -3.090 -15.616 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 333 -3.094 -18.434 -6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -5.604 -18.057 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -4.631 -17.170 -5.638 1.00 0.00 H new ATOM 688 N LYS A 334 -4.033 -17.182 -9.822 1.00 0.00 N ATOM 689 CA LYS A 334 -4.377 -17.513 -11.199 1.00 0.00 C ATOM 690 C LYS A 334 -3.283 -18.356 -11.846 1.00 0.00 C ATOM 691 O LYS A 334 -2.278 -17.828 -12.322 1.00 0.00 O ATOM 692 CB LYS A 334 -4.602 -16.236 -12.011 1.00 0.00 C ATOM 693 CG LYS A 334 -5.766 -16.331 -12.985 1.00 0.00 C ATOM 694 CD LYS A 334 -6.501 -15.004 -13.108 1.00 0.00 C ATOM 695 CE LYS A 334 -8.008 -15.201 -13.119 1.00 0.00 C ATOM 696 NZ LYS A 334 -8.554 -15.235 -14.503 1.00 0.00 N ATOM 0 H LYS A 334 -3.839 -16.193 -9.662 1.00 0.00 H new ATOM 0 HA LYS A 334 -5.299 -18.095 -11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -4.779 -15.407 -11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -3.693 -16.003 -12.566 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -5.398 -16.636 -13.965 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -6.460 -17.102 -12.650 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -6.224 -14.355 -12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -6.192 -14.499 -14.023 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -8.256 -16.131 -12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -8.483 -14.394 -12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -9.584 -15.371 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -8.340 -14.337 -14.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -8.120 -16.020 -15.028 1.00 0.00 H new ATOM 710 N GLY A 335 -3.486 -19.669 -11.860 1.00 0.00 N ATOM 711 CA GLY A 335 -2.509 -20.565 -12.451 1.00 0.00 C ATOM 712 C GLY A 335 -2.479 -21.920 -11.772 1.00 0.00 C ATOM 713 O GLY A 335 -2.879 -22.001 -10.592 1.00 0.00 O ATOM 714 OXT GLY A 335 -2.057 -22.901 -12.421 1.00 0.00 O ATOM 0 H GLY A 335 -4.310 -20.129 -11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -2.735 -20.697 -13.509 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -1.520 -20.110 -12.391 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.473 3.396 1.050 1.00 0.00 ZN