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 304 LYS NZ :NH3+ 161:sc=-0.00737 (180deg=-0.149) USER MOD Set 1.2: A 309 ASN : amide:sc= -0.827 K(o=-0.83,f=-2.6) 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 -14:sc= 0.956 USER MOD Single : A 307 SER OG : rot 180:sc= 0 USER MOD Single : A 311 MET CE :methyl 154:sc= -5.32 (180deg=-7.04!) USER MOD Single : A 312 ASN : amide:sc= -1.85! C(o=-1.8!,f=-7.7!) USER MOD Single : A 317 SER OG : rot -55:sc= 0.21 USER MOD Single : A 318 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-3!) USER MOD Single : A 320 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 328 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 23.925 -12.075 1.798 1.00 0.00 N ATOM 2 CA SER A 290 24.225 -13.054 0.721 1.00 0.00 C ATOM 3 C SER A 290 22.946 -13.550 0.054 1.00 0.00 C ATOM 4 O SER A 290 22.659 -13.208 -1.093 1.00 0.00 O ATOM 5 CB SER A 290 24.992 -14.229 1.329 1.00 0.00 C ATOM 6 OG SER A 290 25.217 -15.244 0.366 1.00 0.00 O ATOM 0 HA SER A 290 24.828 -12.567 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 290 25.946 -13.879 1.723 1.00 0.00 H new ATOM 0 HB3 SER A 290 24.431 -14.638 2.169 1.00 0.00 H new ATOM 0 HG SER A 290 25.710 -15.983 0.779 1.00 0.00 H new ATOM 14 N PHE A 291 22.181 -14.358 0.780 1.00 0.00 N ATOM 15 CA PHE A 291 20.932 -14.902 0.261 1.00 0.00 C ATOM 16 C PHE A 291 19.730 -14.273 0.959 1.00 0.00 C ATOM 17 O PHE A 291 18.653 -14.153 0.375 1.00 0.00 O ATOM 18 CB PHE A 291 20.904 -16.422 0.433 1.00 0.00 C ATOM 19 CG PHE A 291 20.561 -17.164 -0.827 1.00 0.00 C ATOM 20 CD1 PHE A 291 21.211 -16.873 -2.015 1.00 0.00 C ATOM 21 CD2 PHE A 291 19.589 -18.151 -0.824 1.00 0.00 C ATOM 22 CE1 PHE A 291 20.898 -17.552 -3.177 1.00 0.00 C ATOM 23 CE2 PHE A 291 19.272 -18.835 -1.983 1.00 0.00 C ATOM 24 CZ PHE A 291 19.927 -18.535 -3.161 1.00 0.00 C ATOM 0 H PHE A 291 22.405 -14.651 1.731 1.00 0.00 H new ATOM 0 HA PHE A 291 20.874 -14.663 -0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 291 21.879 -16.757 0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 291 20.178 -16.679 1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 291 21.971 -16.106 -2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 291 19.073 -18.389 0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 291 21.412 -17.315 -4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 291 18.513 -19.603 -1.967 1.00 0.00 H new ATOM 0 HZ PHE A 291 19.681 -19.067 -4.068 1.00 0.00 H new ATOM 34 N GLU A 292 19.921 -13.875 2.213 1.00 0.00 N ATOM 35 CA GLU A 292 18.853 -13.258 2.991 1.00 0.00 C ATOM 36 C GLU A 292 18.335 -11.999 2.305 1.00 0.00 C ATOM 37 O GLU A 292 19.072 -11.322 1.588 1.00 0.00 O ATOM 38 CB GLU A 292 19.347 -12.919 4.398 1.00 0.00 C ATOM 39 CG GLU A 292 19.839 -14.128 5.177 1.00 0.00 C ATOM 40 CD GLU A 292 21.352 -14.226 5.208 1.00 0.00 C ATOM 41 OE1 GLU A 292 22.016 -13.169 5.178 1.00 0.00 O ATOM 42 OE2 GLU A 292 21.873 -15.360 5.263 1.00 0.00 O ATOM 0 H GLU A 292 20.806 -13.969 2.712 1.00 0.00 H new ATOM 0 HA GLU A 292 18.034 -13.973 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 292 20.155 -12.191 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 292 18.539 -12.444 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 292 19.461 -14.076 6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 292 19.429 -15.034 4.731 1.00 0.00 H new ATOM 49 N GLU A 293 17.061 -11.690 2.528 1.00 0.00 N ATOM 50 CA GLU A 293 16.443 -10.512 1.930 1.00 0.00 C ATOM 51 C GLU A 293 17.150 -9.237 2.378 1.00 0.00 C ATOM 52 O GLU A 293 18.130 -9.287 3.122 1.00 0.00 O ATOM 53 CB GLU A 293 14.961 -10.445 2.302 1.00 0.00 C ATOM 54 CG GLU A 293 14.076 -11.334 1.442 1.00 0.00 C ATOM 55 CD GLU A 293 13.044 -12.090 2.255 1.00 0.00 C ATOM 56 OE1 GLU A 293 13.428 -13.046 2.961 1.00 0.00 O ATOM 57 OE2 GLU A 293 11.850 -11.727 2.184 1.00 0.00 O ATOM 0 H GLU A 293 16.437 -12.239 3.119 1.00 0.00 H new ATOM 0 HA GLU A 293 16.536 -10.594 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 293 14.844 -10.732 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 293 14.619 -9.414 2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 293 13.569 -10.722 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 293 14.699 -12.046 0.900 1.00 0.00 H new ATOM 64 N ASP A 294 16.646 -8.097 1.919 1.00 0.00 N ATOM 65 CA ASP A 294 17.228 -6.806 2.270 1.00 0.00 C ATOM 66 C ASP A 294 16.282 -6.009 3.169 1.00 0.00 C ATOM 67 O ASP A 294 15.408 -5.294 2.681 1.00 0.00 O ATOM 68 CB ASP A 294 17.543 -6.005 1.006 1.00 0.00 C ATOM 69 CG ASP A 294 18.715 -6.580 0.235 1.00 0.00 C ATOM 70 OD1 ASP A 294 18.531 -7.615 -0.438 1.00 0.00 O ATOM 71 OD2 ASP A 294 19.815 -5.994 0.304 1.00 0.00 O ATOM 0 H ASP A 294 15.835 -8.040 1.303 1.00 0.00 H new ATOM 0 HA ASP A 294 18.153 -6.989 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 294 16.663 -5.985 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 294 17.762 -4.973 1.278 1.00 0.00 H new ATOM 76 N PRO A 295 16.447 -6.121 4.499 1.00 0.00 N ATOM 77 CA PRO A 295 15.603 -5.406 5.462 1.00 0.00 C ATOM 78 C PRO A 295 15.488 -3.918 5.141 1.00 0.00 C ATOM 79 O PRO A 295 14.505 -3.270 5.502 1.00 0.00 O ATOM 80 CB PRO A 295 16.330 -5.610 6.791 1.00 0.00 C ATOM 81 CG PRO A 295 17.073 -6.889 6.620 1.00 0.00 C ATOM 82 CD PRO A 295 17.466 -6.951 5.169 1.00 0.00 C ATOM 0 HA PRO A 295 14.578 -5.778 5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 295 17.008 -4.783 7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 295 15.627 -5.668 7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 295 17.952 -6.918 7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 295 16.450 -7.741 6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 295 18.471 -6.560 5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 295 17.459 -7.975 4.795 1.00 0.00 H new ATOM 90 N GLU A 296 16.496 -3.384 4.460 1.00 0.00 N ATOM 91 CA GLU A 296 16.507 -1.973 4.090 1.00 0.00 C ATOM 92 C GLU A 296 15.300 -1.629 3.223 1.00 0.00 C ATOM 93 O GLU A 296 15.297 -1.878 2.018 1.00 0.00 O ATOM 94 CB GLU A 296 17.799 -1.628 3.346 1.00 0.00 C ATOM 95 CG GLU A 296 19.004 -1.472 4.259 1.00 0.00 C ATOM 96 CD GLU A 296 19.551 -0.058 4.269 1.00 0.00 C ATOM 97 OE1 GLU A 296 18.810 0.862 4.671 1.00 0.00 O ATOM 98 OE2 GLU A 296 20.721 0.127 3.874 1.00 0.00 O ATOM 0 H GLU A 296 17.316 -3.907 4.153 1.00 0.00 H new ATOM 0 HA GLU A 296 16.455 -1.383 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 296 18.007 -2.409 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 296 17.652 -0.702 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 296 18.725 -1.757 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 296 19.788 -2.158 3.939 1.00 0.00 H new ATOM 105 N ILE A 297 14.275 -1.055 3.845 1.00 0.00 N ATOM 106 CA ILE A 297 13.063 -0.678 3.132 1.00 0.00 C ATOM 107 C ILE A 297 13.262 0.632 2.374 1.00 0.00 C ATOM 108 O ILE A 297 14.124 1.439 2.723 1.00 0.00 O ATOM 109 CB ILE A 297 11.858 -0.558 4.102 1.00 0.00 C ATOM 110 CG1 ILE A 297 11.086 -1.876 4.139 1.00 0.00 C ATOM 111 CG2 ILE A 297 10.927 0.586 3.711 1.00 0.00 C ATOM 112 CD1 ILE A 297 9.956 -1.887 5.145 1.00 0.00 C ATOM 0 H ILE A 297 14.261 -0.841 4.842 1.00 0.00 H new ATOM 0 HA ILE A 297 12.846 -1.466 2.411 1.00 0.00 H new ATOM 0 HB ILE A 297 12.250 -0.338 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 297 10.681 -2.078 3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 297 11.777 -2.686 4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 297 10.096 0.636 4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 297 11.478 1.527 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.541 0.414 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 297 9.453 -2.853 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 297 10.357 -1.716 6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 297 9.243 -1.099 4.900 1.00 0.00 H new ATOM 124 N SER A 298 12.457 0.833 1.337 1.00 0.00 N ATOM 125 CA SER A 298 12.539 2.043 0.527 1.00 0.00 C ATOM 126 C SER A 298 11.147 2.545 0.158 1.00 0.00 C ATOM 127 O SER A 298 10.164 1.811 0.265 1.00 0.00 O ATOM 128 CB SER A 298 13.353 1.780 -0.741 1.00 0.00 C ATOM 129 OG SER A 298 14.132 2.911 -1.093 1.00 0.00 O ATOM 0 H SER A 298 11.739 0.173 1.037 1.00 0.00 H new ATOM 0 HA SER A 298 13.038 2.812 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 298 14.005 0.920 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 298 12.682 1.528 -1.562 1.00 0.00 H new ATOM 0 HG SER A 298 14.644 2.716 -1.906 1.00 0.00 H new ATOM 135 N LEU A 299 11.070 3.799 -0.272 1.00 0.00 N ATOM 136 CA LEU A 299 9.797 4.400 -0.655 1.00 0.00 C ATOM 137 C LEU A 299 9.393 3.980 -2.066 1.00 0.00 C ATOM 138 O LEU A 299 8.210 3.961 -2.405 1.00 0.00 O ATOM 139 CB LEU A 299 9.886 5.925 -0.569 1.00 0.00 C ATOM 140 CG LEU A 299 8.675 6.608 0.070 1.00 0.00 C ATOM 141 CD1 LEU A 299 9.097 7.876 0.795 1.00 0.00 C ATOM 142 CD2 LEU A 299 7.623 6.921 -0.985 1.00 0.00 C ATOM 0 H LEU A 299 11.874 4.420 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 299 9.034 4.045 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.777 6.190 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 299 10.020 6.323 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 299 8.240 5.925 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 299 8.222 8.347 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 299 9.815 7.627 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 299 9.557 8.564 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 299 6.768 7.406 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 299 8.048 7.585 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 299 7.298 5.996 -1.460 1.00 0.00 H new ATOM 154 N ALA A 300 10.384 3.650 -2.885 1.00 0.00 N ATOM 155 CA ALA A 300 10.138 3.239 -4.262 1.00 0.00 C ATOM 156 C ALA A 300 9.344 1.937 -4.326 1.00 0.00 C ATOM 157 O ALA A 300 8.611 1.695 -5.285 1.00 0.00 O ATOM 158 CB ALA A 300 11.455 3.088 -5.008 1.00 0.00 C ATOM 0 H ALA A 300 11.369 3.659 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 300 9.542 4.016 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.258 2.781 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 300 11.984 4.041 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.068 2.334 -4.515 1.00 0.00 H new ATOM 164 N ASP A 301 9.497 1.101 -3.307 1.00 0.00 N ATOM 165 CA ASP A 301 8.795 -0.178 -3.257 1.00 0.00 C ATOM 166 C ASP A 301 7.320 0.004 -2.896 1.00 0.00 C ATOM 167 O ASP A 301 6.535 -0.942 -2.979 1.00 0.00 O ATOM 168 CB ASP A 301 9.467 -1.110 -2.246 1.00 0.00 C ATOM 169 CG ASP A 301 9.564 -2.536 -2.752 1.00 0.00 C ATOM 170 OD1 ASP A 301 10.268 -2.762 -3.760 1.00 0.00 O ATOM 171 OD2 ASP A 301 8.938 -3.427 -2.141 1.00 0.00 O ATOM 0 H ASP A 301 10.100 1.284 -2.505 1.00 0.00 H new ATOM 0 HA ASP A 301 8.846 -0.623 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.467 -0.738 -2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 301 8.904 -1.096 -1.313 1.00 0.00 H new ATOM 176 N TYR A 302 6.948 1.214 -2.486 1.00 0.00 N ATOM 177 CA TYR A 302 5.571 1.503 -2.106 1.00 0.00 C ATOM 178 C TYR A 302 4.586 1.102 -3.198 1.00 0.00 C ATOM 179 O TYR A 302 4.981 0.775 -4.317 1.00 0.00 O ATOM 180 CB TYR A 302 5.423 2.988 -1.785 1.00 0.00 C ATOM 181 CG TYR A 302 5.871 3.321 -0.386 1.00 0.00 C ATOM 182 CD1 TYR A 302 6.987 2.703 0.153 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.180 4.234 0.396 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.406 2.981 1.431 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.594 4.522 1.682 1.00 0.00 C ATOM 186 CZ TYR A 302 6.709 3.891 2.197 1.00 0.00 C ATOM 187 OH TYR A 302 7.126 4.173 3.478 1.00 0.00 O ATOM 0 H TYR A 302 7.582 2.009 -2.409 1.00 0.00 H new ATOM 0 HA TYR A 302 5.338 0.912 -1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.006 3.571 -2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.381 3.282 -1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.538 1.990 -0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.307 4.726 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.278 2.489 1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.049 5.236 2.281 1.00 0.00 H new ATOM 0 HH TYR A 302 6.526 4.836 3.879 1.00 0.00 H new ATOM 197 N TRP A 303 3.299 1.128 -2.862 1.00 0.00 N ATOM 198 CA TRP A 303 2.251 0.769 -3.810 1.00 0.00 C ATOM 199 C TRP A 303 1.074 1.734 -3.707 1.00 0.00 C ATOM 200 O TRP A 303 0.953 2.482 -2.735 1.00 0.00 O ATOM 201 CB TRP A 303 1.776 -0.662 -3.557 1.00 0.00 C ATOM 202 CG TRP A 303 1.484 -0.943 -2.116 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.391 -1.214 -1.133 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.194 -0.978 -1.495 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.744 -1.416 0.063 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.395 -1.276 -0.134 1.00 0.00 C ATOM 207 CE3 TRP A 303 -1.110 -0.786 -1.957 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.660 -1.387 0.768 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.158 -0.896 -1.061 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.927 -1.193 0.288 1.00 0.00 C ATOM 0 H TRP A 303 2.958 1.395 -1.939 1.00 0.00 H new ATOM 0 HA TRP A 303 2.665 0.834 -4.816 1.00 0.00 H new ATOM 0 HB2 TRP A 303 0.878 -0.849 -4.146 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.538 -1.358 -3.909 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.461 -1.263 -1.274 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.194 -1.634 0.952 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -1.297 -0.556 -2.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.485 -1.618 1.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.171 -0.751 -1.407 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.766 -1.271 0.964 1.00 0.00 H new ATOM 221 N LYS A 304 0.208 1.711 -4.718 1.00 0.00 N ATOM 222 CA LYS A 304 -0.959 2.585 -4.746 1.00 0.00 C ATOM 223 C LYS A 304 -2.233 1.814 -4.409 1.00 0.00 C ATOM 224 O LYS A 304 -2.579 0.845 -5.083 1.00 0.00 O ATOM 225 CB LYS A 304 -1.096 3.238 -6.122 1.00 0.00 C ATOM 226 CG LYS A 304 -1.800 4.586 -6.089 1.00 0.00 C ATOM 227 CD LYS A 304 -0.925 5.656 -5.458 1.00 0.00 C ATOM 228 CE LYS A 304 -0.249 6.516 -6.514 1.00 0.00 C ATOM 229 NZ LYS A 304 -1.219 7.408 -7.208 1.00 0.00 N ATOM 0 H LYS A 304 0.294 1.096 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.818 3.359 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 304 -0.104 3.366 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -1.646 2.566 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -2.066 4.884 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.731 4.498 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.531 6.286 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -0.168 5.185 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 304 0.529 7.120 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 304 0.241 5.874 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 -0.706 8.185 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 -1.742 6.863 -7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -1.888 7.800 -6.515 1.00 0.00 H new ATOM 243 N CYS A 305 -2.930 2.255 -3.363 1.00 0.00 N ATOM 244 CA CYS A 305 -4.169 1.606 -2.943 1.00 0.00 C ATOM 245 C CYS A 305 -5.181 1.585 -4.085 1.00 0.00 C ATOM 246 O CYS A 305 -5.470 2.615 -4.693 1.00 0.00 O ATOM 247 CB CYS A 305 -4.764 2.319 -1.728 1.00 0.00 C ATOM 248 SG CYS A 305 -6.143 1.435 -0.962 1.00 0.00 S ATOM 0 H CYS A 305 -2.658 3.056 -2.793 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.935 0.578 -2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.980 2.464 -0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -5.104 3.310 -2.031 1.00 0.00 H new ATOM 254 N THR A 306 -5.705 0.399 -4.376 1.00 0.00 N ATOM 255 CA THR A 306 -6.673 0.226 -5.456 1.00 0.00 C ATOM 256 C THR A 306 -8.036 0.838 -5.128 1.00 0.00 C ATOM 257 O THR A 306 -8.957 0.767 -5.943 1.00 0.00 O ATOM 258 CB THR A 306 -6.841 -1.259 -5.774 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.831 -1.451 -6.768 1.00 0.00 O ATOM 260 CG2 THR A 306 -7.231 -2.088 -4.570 1.00 0.00 C ATOM 0 H THR A 306 -5.475 -0.461 -3.877 1.00 0.00 H new ATOM 0 HA THR A 306 -6.279 0.754 -6.324 1.00 0.00 H new ATOM 0 HB THR A 306 -5.863 -1.592 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 306 -8.345 -0.624 -6.882 1.00 0.00 H new ATOM 0 HG21 THR A 306 -7.334 -3.132 -4.865 1.00 0.00 H new ATOM 0 HG22 THR A 306 -6.461 -2.002 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 306 -8.180 -1.728 -4.172 1.00 0.00 H new ATOM 268 N SER A 307 -8.178 1.434 -3.946 1.00 0.00 N ATOM 269 CA SER A 307 -9.447 2.037 -3.559 1.00 0.00 C ATOM 270 C SER A 307 -9.309 3.543 -3.393 1.00 0.00 C ATOM 271 O SER A 307 -10.002 4.321 -4.050 1.00 0.00 O ATOM 272 CB SER A 307 -9.953 1.413 -2.257 1.00 0.00 C ATOM 273 OG SER A 307 -11.362 1.259 -2.279 1.00 0.00 O ATOM 0 H SER A 307 -7.438 1.511 -3.248 1.00 0.00 H new ATOM 0 HA SER A 307 -10.168 1.845 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 307 -9.480 0.442 -2.108 1.00 0.00 H new ATOM 0 HB3 SER A 307 -9.666 2.041 -1.413 1.00 0.00 H new ATOM 0 HG SER A 307 -11.660 0.857 -1.437 1.00 0.00 H new ATOM 279 N CYS A 308 -8.419 3.943 -2.500 1.00 0.00 N ATOM 280 CA CYS A 308 -8.191 5.355 -2.224 1.00 0.00 C ATOM 281 C CYS A 308 -7.000 5.909 -3.012 1.00 0.00 C ATOM 282 O CYS A 308 -6.865 7.122 -3.168 1.00 0.00 O ATOM 283 CB CYS A 308 -7.990 5.551 -0.720 1.00 0.00 C ATOM 284 SG CYS A 308 -6.333 5.151 -0.121 1.00 0.00 S ATOM 0 H CYS A 308 -7.840 3.308 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 308 -9.068 5.914 -2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -8.211 6.589 -0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.713 4.933 -0.187 1.00 0.00 H new ATOM 290 N ASN A 309 -6.143 5.019 -3.510 1.00 0.00 N ATOM 291 CA ASN A 309 -4.973 5.432 -4.284 1.00 0.00 C ATOM 292 C ASN A 309 -3.963 6.191 -3.420 1.00 0.00 C ATOM 293 O ASN A 309 -3.689 7.368 -3.655 1.00 0.00 O ATOM 294 CB ASN A 309 -5.404 6.294 -5.476 1.00 0.00 C ATOM 295 CG ASN A 309 -4.806 5.810 -6.783 1.00 0.00 C ATOM 296 OD1 ASN A 309 -4.618 4.611 -6.987 1.00 0.00 O ATOM 297 ND2 ASN A 309 -4.504 6.744 -7.677 1.00 0.00 N ATOM 0 H ASN A 309 -6.236 4.010 -3.392 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.483 4.530 -4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.491 6.287 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -5.103 7.327 -5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -4.099 6.479 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -4.677 7.727 -7.466 1.00 0.00 H new ATOM 304 N GLU A 310 -3.403 5.504 -2.427 1.00 0.00 N ATOM 305 CA GLU A 310 -2.412 6.107 -1.539 1.00 0.00 C ATOM 306 C GLU A 310 -1.090 5.353 -1.621 1.00 0.00 C ATOM 307 O GLU A 310 -1.044 4.215 -2.083 1.00 0.00 O ATOM 308 CB GLU A 310 -2.917 6.110 -0.097 1.00 0.00 C ATOM 309 CG GLU A 310 -2.335 7.227 0.753 1.00 0.00 C ATOM 310 CD GLU A 310 -3.380 8.235 1.190 1.00 0.00 C ATOM 311 OE1 GLU A 310 -4.361 7.825 1.847 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.219 9.432 0.876 1.00 0.00 O ATOM 0 H GLU A 310 -3.619 4.529 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.251 7.136 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.003 6.198 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.677 5.152 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -1.860 6.797 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.556 7.739 0.189 1.00 0.00 H new ATOM 319 N MET A 311 -0.018 5.993 -1.170 1.00 0.00 N ATOM 320 CA MET A 311 1.306 5.380 -1.198 1.00 0.00 C ATOM 321 C MET A 311 1.625 4.694 0.125 1.00 0.00 C ATOM 322 O MET A 311 1.970 5.349 1.108 1.00 0.00 O ATOM 323 CB MET A 311 2.372 6.434 -1.504 1.00 0.00 C ATOM 324 CG MET A 311 2.397 6.870 -2.960 1.00 0.00 C ATOM 325 SD MET A 311 2.708 5.500 -4.091 1.00 0.00 S ATOM 326 CE MET A 311 4.398 5.085 -3.665 1.00 0.00 C ATOM 0 H MET A 311 -0.039 6.936 -0.781 1.00 0.00 H new ATOM 0 HA MET A 311 1.307 4.626 -1.985 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.199 7.307 -0.875 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.351 6.037 -1.236 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.444 7.335 -3.212 1.00 0.00 H new ATOM 0 HG3 MET A 311 3.168 7.629 -3.095 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.586 4.037 -3.900 1.00 0.00 H new ATOM 0 HE2 MET A 311 5.082 5.713 -4.236 1.00 0.00 H new ATOM 0 HE3 MET A 311 4.556 5.251 -2.599 1.00 0.00 H new ATOM 336 N ASN A 312 1.509 3.369 0.144 1.00 0.00 N ATOM 337 CA ASN A 312 1.789 2.596 1.349 1.00 0.00 C ATOM 338 C ASN A 312 3.045 1.745 1.176 1.00 0.00 C ATOM 339 O ASN A 312 3.338 1.269 0.079 1.00 0.00 O ATOM 340 CB ASN A 312 0.601 1.700 1.693 1.00 0.00 C ATOM 341 CG ASN A 312 -0.360 2.368 2.654 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.219 2.254 3.872 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.344 3.070 2.108 1.00 0.00 N ATOM 0 H ASN A 312 1.224 2.810 -0.660 1.00 0.00 H new ATOM 0 HA ASN A 312 1.957 3.298 2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.071 1.435 0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 312 0.964 0.771 2.132 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -2.024 3.544 2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -1.421 3.136 1.093 1.00 0.00 H new ATOM 350 N PRO A 313 3.806 1.540 2.266 1.00 0.00 N ATOM 351 CA PRO A 313 5.034 0.739 2.231 1.00 0.00 C ATOM 352 C PRO A 313 4.756 -0.736 1.957 1.00 0.00 C ATOM 353 O PRO A 313 3.637 -1.212 2.147 1.00 0.00 O ATOM 354 CB PRO A 313 5.623 0.920 3.633 1.00 0.00 C ATOM 355 CG PRO A 313 4.461 1.282 4.492 1.00 0.00 C ATOM 356 CD PRO A 313 3.529 2.070 3.613 1.00 0.00 C ATOM 0 HA PRO A 313 5.702 1.057 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.102 0.005 3.981 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.382 1.702 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 313 3.970 0.390 4.881 1.00 0.00 H new ATOM 0 HG3 PRO A 313 4.779 1.872 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.487 1.923 3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.728 3.140 3.673 1.00 0.00 H new ATOM 364 N PRO A 314 5.778 -1.483 1.503 1.00 0.00 N ATOM 365 CA PRO A 314 5.641 -2.911 1.202 1.00 0.00 C ATOM 366 C PRO A 314 5.172 -3.715 2.411 1.00 0.00 C ATOM 367 O PRO A 314 4.465 -4.712 2.270 1.00 0.00 O ATOM 368 CB PRO A 314 7.058 -3.339 0.792 1.00 0.00 C ATOM 369 CG PRO A 314 7.956 -2.257 1.291 1.00 0.00 C ATOM 370 CD PRO A 314 7.143 -0.996 1.252 1.00 0.00 C ATOM 0 HA PRO A 314 4.892 -3.089 0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.321 -4.302 1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.138 -3.449 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.298 -2.470 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 314 8.845 -2.168 0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.465 -0.283 2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.223 -0.493 0.288 1.00 0.00 H new ATOM 378 N LEU A 315 5.570 -3.271 3.598 1.00 0.00 N ATOM 379 CA LEU A 315 5.191 -3.946 4.834 1.00 0.00 C ATOM 380 C LEU A 315 4.764 -2.932 5.897 1.00 0.00 C ATOM 381 O LEU A 315 5.560 -2.088 6.307 1.00 0.00 O ATOM 382 CB LEU A 315 6.359 -4.785 5.358 1.00 0.00 C ATOM 383 CG LEU A 315 5.958 -6.029 6.152 1.00 0.00 C ATOM 384 CD1 LEU A 315 5.850 -7.237 5.235 1.00 0.00 C ATOM 385 CD2 LEU A 315 6.958 -6.295 7.268 1.00 0.00 C ATOM 0 H LEU A 315 6.155 -2.446 3.731 1.00 0.00 H new ATOM 0 HA LEU A 315 4.347 -4.601 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 315 6.972 -5.095 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.984 -4.155 5.991 1.00 0.00 H new ATOM 0 HG LEU A 315 4.981 -5.849 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 315 5.564 -8.112 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 315 5.096 -7.048 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 315 6.813 -7.418 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 315 6.657 -7.184 7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 315 7.948 -6.453 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 315 6.987 -5.439 7.942 1.00 0.00 H new ATOM 397 N PRO A 316 3.499 -2.991 6.362 1.00 0.00 N ATOM 398 CA PRO A 316 2.505 -3.975 5.910 1.00 0.00 C ATOM 399 C PRO A 316 2.052 -3.723 4.476 1.00 0.00 C ATOM 400 O PRO A 316 2.229 -2.627 3.942 1.00 0.00 O ATOM 401 CB PRO A 316 1.327 -3.787 6.881 1.00 0.00 C ATOM 402 CG PRO A 316 1.852 -2.930 7.985 1.00 0.00 C ATOM 403 CD PRO A 316 2.937 -2.094 7.377 1.00 0.00 C ATOM 0 HA PRO A 316 2.913 -4.986 5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.481 -3.312 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 316 0.976 -4.746 7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.063 -2.303 8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.240 -3.539 8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 316 2.544 -1.178 6.936 1.00 0.00 H new ATOM 0 HD3 PRO A 316 3.683 -1.798 8.115 1.00 0.00 H new ATOM 411 N SER A 317 1.470 -4.744 3.856 1.00 0.00 N ATOM 412 CA SER A 317 0.993 -4.633 2.481 1.00 0.00 C ATOM 413 C SER A 317 -0.469 -4.192 2.437 1.00 0.00 C ATOM 414 O SER A 317 -1.234 -4.636 1.580 1.00 0.00 O ATOM 415 CB SER A 317 1.156 -5.969 1.755 1.00 0.00 C ATOM 416 OG SER A 317 2.147 -6.770 2.375 1.00 0.00 O ATOM 0 H SER A 317 1.317 -5.658 4.283 1.00 0.00 H new ATOM 0 HA SER A 317 1.593 -3.875 1.978 1.00 0.00 H new ATOM 0 HB2 SER A 317 0.205 -6.502 1.749 1.00 0.00 H new ATOM 0 HB3 SER A 317 1.427 -5.790 0.715 1.00 0.00 H new ATOM 0 HG SER A 317 2.986 -6.267 2.431 1.00 0.00 H new ATOM 422 N HIS A 318 -0.852 -3.315 3.360 1.00 0.00 N ATOM 423 CA HIS A 318 -2.221 -2.814 3.417 1.00 0.00 C ATOM 424 C HIS A 318 -2.236 -1.302 3.621 1.00 0.00 C ATOM 425 O HIS A 318 -1.303 -0.735 4.190 1.00 0.00 O ATOM 426 CB HIS A 318 -2.995 -3.507 4.541 1.00 0.00 C ATOM 427 CG HIS A 318 -2.503 -3.163 5.914 1.00 0.00 C ATOM 428 ND1 HIS A 318 -1.779 -4.038 6.697 1.00 0.00 N ATOM 429 CD2 HIS A 318 -2.637 -2.031 6.645 1.00 0.00 C ATOM 430 CE1 HIS A 318 -1.490 -3.459 7.849 1.00 0.00 C ATOM 431 NE2 HIS A 318 -1.999 -2.242 7.842 1.00 0.00 N ATOM 0 H HIS A 318 -0.234 -2.937 4.078 1.00 0.00 H new ATOM 0 HA HIS A 318 -2.706 -3.037 2.467 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -4.048 -3.237 4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -2.931 -4.586 4.402 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -3.150 -1.130 6.343 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -0.932 -3.906 8.659 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -1.930 -1.567 8.603 1.00 0.00 H new ATOM 440 N CYS A 319 -3.297 -0.655 3.152 1.00 0.00 N ATOM 441 CA CYS A 319 -3.425 0.792 3.282 1.00 0.00 C ATOM 442 C CYS A 319 -3.641 1.196 4.736 1.00 0.00 C ATOM 443 O CYS A 319 -4.642 0.829 5.350 1.00 0.00 O ATOM 444 CB CYS A 319 -4.579 1.309 2.423 1.00 0.00 C ATOM 445 SG CYS A 319 -4.509 3.085 2.096 1.00 0.00 S ATOM 0 H CYS A 319 -4.079 -1.108 2.679 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.494 1.240 2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.580 0.774 1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.521 1.078 2.920 1.00 0.00 H new ATOM 450 N ASN A 320 -2.701 1.959 5.279 1.00 0.00 N ATOM 451 CA ASN A 320 -2.795 2.416 6.661 1.00 0.00 C ATOM 452 C ASN A 320 -3.823 3.539 6.807 1.00 0.00 C ATOM 453 O ASN A 320 -4.087 4.005 7.915 1.00 0.00 O ATOM 454 CB ASN A 320 -1.426 2.894 7.152 1.00 0.00 C ATOM 455 CG ASN A 320 -0.723 1.854 8.004 1.00 0.00 C ATOM 456 OD1 ASN A 320 -1.143 1.566 9.125 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.353 1.284 7.475 1.00 0.00 N ATOM 0 H ASN A 320 -1.866 2.274 4.785 1.00 0.00 H new ATOM 0 HA ASN A 320 -3.124 1.575 7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -0.801 3.140 6.294 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.549 3.810 7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 320 0.867 0.577 8.001 1.00 0.00 H new ATOM 0 HD22 ASN A 320 0.666 1.553 6.542 1.00 0.00 H new ATOM 464 N ARG A 321 -4.397 3.976 5.687 1.00 0.00 N ATOM 465 CA ARG A 321 -5.388 5.046 5.706 1.00 0.00 C ATOM 466 C ARG A 321 -6.808 4.491 5.631 1.00 0.00 C ATOM 467 O ARG A 321 -7.603 4.671 6.553 1.00 0.00 O ATOM 468 CB ARG A 321 -5.142 6.013 4.544 1.00 0.00 C ATOM 469 CG ARG A 321 -4.482 7.316 4.967 1.00 0.00 C ATOM 470 CD ARG A 321 -5.430 8.186 5.777 1.00 0.00 C ATOM 471 NE ARG A 321 -4.928 8.433 7.126 1.00 0.00 N ATOM 472 CZ ARG A 321 -3.991 9.333 7.417 1.00 0.00 C ATOM 473 NH1 ARG A 321 -3.452 10.072 6.455 1.00 0.00 N ATOM 474 NH2 ARG A 321 -3.591 9.494 8.671 1.00 0.00 N ATOM 0 H ARG A 321 -4.192 3.606 4.759 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.284 5.582 6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -4.514 5.522 3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.093 6.237 4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -3.592 7.099 5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.152 7.861 4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -5.576 9.137 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -6.405 7.702 5.836 1.00 0.00 H new ATOM 0 HE ARG A 321 -5.319 7.883 7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -3.755 9.951 5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -2.734 10.760 6.682 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -4.001 8.928 9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -2.873 10.184 8.893 1.00 0.00 H new ATOM 488 N CYS A 322 -7.127 3.826 4.523 1.00 0.00 N ATOM 489 CA CYS A 322 -8.461 3.262 4.332 1.00 0.00 C ATOM 490 C CYS A 322 -8.508 1.771 4.676 1.00 0.00 C ATOM 491 O CYS A 322 -9.578 1.163 4.661 1.00 0.00 O ATOM 492 CB CYS A 322 -8.931 3.491 2.888 1.00 0.00 C ATOM 493 SG CYS A 322 -8.355 2.256 1.694 1.00 0.00 S ATOM 0 H CYS A 322 -6.484 3.665 3.748 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.136 3.776 5.017 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.021 3.508 2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -8.593 4.475 2.563 1.00 0.00 H new ATOM 498 N TRP A 323 -7.353 1.182 4.981 1.00 0.00 N ATOM 499 CA TRP A 323 -7.293 -0.237 5.318 1.00 0.00 C ATOM 500 C TRP A 323 -7.690 -1.091 4.117 1.00 0.00 C ATOM 501 O TRP A 323 -8.791 -1.640 4.068 1.00 0.00 O ATOM 502 CB TRP A 323 -8.207 -0.541 6.510 1.00 0.00 C ATOM 503 CG TRP A 323 -7.470 -1.067 7.705 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.843 -0.333 8.670 1.00 0.00 C ATOM 505 CD2 TRP A 323 -7.282 -2.442 8.060 1.00 0.00 C ATOM 506 NE1 TRP A 323 -6.276 -1.167 9.603 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.533 -2.466 9.251 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.676 -3.655 7.487 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -6.170 -3.656 9.878 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -7.315 -4.834 8.110 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.569 -4.827 9.295 1.00 0.00 C ATOM 0 H TRP A 323 -6.453 1.662 5.001 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.267 -0.482 5.592 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.739 0.368 6.791 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.959 -1.270 6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.799 0.746 8.696 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.750 -0.868 10.424 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -8.252 -3.670 6.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -5.594 -3.654 10.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.613 -5.777 7.676 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -6.303 -5.766 9.758 1.00 0.00 H new ATOM 522 N ALA A 324 -6.787 -1.196 3.147 1.00 0.00 N ATOM 523 CA ALA A 324 -7.046 -1.981 1.946 1.00 0.00 C ATOM 524 C ALA A 324 -5.811 -2.766 1.523 1.00 0.00 C ATOM 525 O ALA A 324 -4.806 -2.187 1.111 1.00 0.00 O ATOM 526 CB ALA A 324 -7.510 -1.074 0.816 1.00 0.00 C ATOM 0 H ALA A 324 -5.871 -0.748 3.169 1.00 0.00 H new ATOM 0 HA ALA A 324 -7.836 -2.697 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.700 -1.672 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.426 -0.563 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.737 -0.337 0.600 1.00 0.00 H new ATOM 532 N LEU A 325 -5.893 -4.088 1.625 1.00 0.00 N ATOM 533 CA LEU A 325 -4.782 -4.954 1.249 1.00 0.00 C ATOM 534 C LEU A 325 -4.575 -4.940 -0.262 1.00 0.00 C ATOM 535 O LEU A 325 -5.534 -5.009 -1.030 1.00 0.00 O ATOM 536 CB LEU A 325 -5.034 -6.384 1.734 1.00 0.00 C ATOM 537 CG LEU A 325 -4.217 -6.805 2.956 1.00 0.00 C ATOM 538 CD1 LEU A 325 -4.799 -6.195 4.222 1.00 0.00 C ATOM 539 CD2 LEU A 325 -4.167 -8.321 3.067 1.00 0.00 C ATOM 0 H LEU A 325 -6.717 -4.583 1.965 1.00 0.00 H new ATOM 0 HA LEU A 325 -3.877 -4.575 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.093 -6.491 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -4.818 -7.072 0.917 1.00 0.00 H new ATOM 0 HG LEU A 325 -3.199 -6.436 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -4.205 -6.505 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -4.783 -5.108 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -5.827 -6.534 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -3.582 -8.603 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -5.180 -8.712 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -3.704 -8.736 2.172 1.00 0.00 H new ATOM 551 N ARG A 326 -3.317 -4.849 -0.682 1.00 0.00 N ATOM 552 CA ARG A 326 -2.983 -4.824 -2.102 1.00 0.00 C ATOM 553 C ARG A 326 -3.587 -6.022 -2.830 1.00 0.00 C ATOM 554 O ARG A 326 -3.929 -7.029 -2.212 1.00 0.00 O ATOM 555 CB ARG A 326 -1.464 -4.816 -2.286 1.00 0.00 C ATOM 556 CG ARG A 326 -0.997 -3.964 -3.453 1.00 0.00 C ATOM 557 CD ARG A 326 0.518 -3.967 -3.569 1.00 0.00 C ATOM 558 NE ARG A 326 0.990 -4.943 -4.548 1.00 0.00 N ATOM 559 CZ ARG A 326 2.220 -4.949 -5.056 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.106 -4.034 -4.679 1.00 0.00 N ATOM 561 NH2 ARG A 326 2.568 -5.872 -5.943 1.00 0.00 N ATOM 0 H ARG A 326 -2.512 -4.791 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.403 -3.914 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -0.998 -4.451 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -1.119 -5.839 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -1.435 -4.339 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.352 -2.941 -3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 326 0.862 -2.973 -3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.956 -4.189 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 326 0.338 -5.663 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.845 -3.322 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.047 -4.043 -5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 326 1.893 -6.578 -6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 326 3.511 -5.876 -6.332 1.00 0.00 H new ATOM 575 N GLU A 327 -3.714 -5.904 -4.148 1.00 0.00 N ATOM 576 CA GLU A 327 -4.274 -6.976 -4.962 1.00 0.00 C ATOM 577 C GLU A 327 -3.299 -8.147 -5.055 1.00 0.00 C ATOM 578 O GLU A 327 -3.708 -9.302 -5.172 1.00 0.00 O ATOM 579 CB GLU A 327 -4.611 -6.461 -6.363 1.00 0.00 C ATOM 580 CG GLU A 327 -5.979 -6.900 -6.859 1.00 0.00 C ATOM 581 CD GLU A 327 -6.379 -6.210 -8.149 1.00 0.00 C ATOM 582 OE1 GLU A 327 -5.755 -6.494 -9.192 1.00 0.00 O ATOM 583 OE2 GLU A 327 -7.317 -5.386 -8.114 1.00 0.00 O ATOM 0 H GLU A 327 -3.436 -5.076 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 327 -5.190 -7.324 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.567 -5.372 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -3.851 -6.810 -7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -5.977 -7.979 -7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -6.724 -6.690 -6.092 1.00 0.00 H new ATOM 590 N ASN A 328 -2.008 -7.837 -4.999 1.00 0.00 N ATOM 591 CA ASN A 328 -0.971 -8.858 -5.075 1.00 0.00 C ATOM 592 C ASN A 328 0.224 -8.479 -4.207 1.00 0.00 C ATOM 593 O ASN A 328 1.113 -7.746 -4.642 1.00 0.00 O ATOM 594 CB ASN A 328 -0.523 -9.055 -6.525 1.00 0.00 C ATOM 595 CG ASN A 328 0.388 -10.255 -6.691 1.00 0.00 C ATOM 596 OD1 ASN A 328 0.083 -11.351 -6.222 1.00 0.00 O ATOM 597 ND2 ASN A 328 1.516 -10.054 -7.363 1.00 0.00 N ATOM 0 H ASN A 328 -1.655 -6.885 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 328 -1.387 -9.794 -4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -1.400 -9.178 -7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 328 -0.005 -8.159 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 328 2.168 -10.825 -7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 328 1.730 -9.129 -7.735 1.00 0.00 H new ATOM 604 N TRP A 329 0.239 -8.982 -2.977 1.00 0.00 N ATOM 605 CA TRP A 329 1.328 -8.693 -2.046 1.00 0.00 C ATOM 606 C TRP A 329 2.247 -9.898 -1.895 1.00 0.00 C ATOM 607 O TRP A 329 3.467 -9.780 -1.999 1.00 0.00 O ATOM 608 CB TRP A 329 0.783 -8.278 -0.673 1.00 0.00 C ATOM 609 CG TRP A 329 -0.591 -8.801 -0.387 1.00 0.00 C ATOM 610 CD1 TRP A 329 -1.764 -8.338 -0.907 1.00 0.00 C ATOM 611 CD2 TRP A 329 -0.937 -9.884 0.484 1.00 0.00 C ATOM 612 NE1 TRP A 329 -2.818 -9.066 -0.415 1.00 0.00 N ATOM 613 CE2 TRP A 329 -2.338 -10.021 0.441 1.00 0.00 C ATOM 614 CE3 TRP A 329 -0.200 -10.751 1.296 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -3.014 -10.990 1.178 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -0.872 -11.713 2.026 1.00 0.00 C ATOM 617 CH2 TRP A 329 -2.267 -11.826 1.963 1.00 0.00 C ATOM 0 H TRP A 329 -0.488 -9.591 -2.601 1.00 0.00 H new ATOM 0 HA TRP A 329 1.902 -7.863 -2.458 1.00 0.00 H new ATOM 0 HB2 TRP A 329 1.465 -8.631 0.101 1.00 0.00 H new ATOM 0 HB3 TRP A 329 0.768 -7.190 -0.612 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.851 -7.518 -1.604 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -3.800 -8.920 -0.649 1.00 0.00 H new ATOM 0 HE3 TRP A 329 0.876 -10.670 1.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -4.089 -11.079 1.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -0.312 -12.389 2.656 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -2.763 -12.588 2.546 1.00 0.00 H new ATOM 628 N LEU A 330 1.649 -11.056 -1.648 1.00 0.00 N ATOM 629 CA LEU A 330 2.409 -12.290 -1.481 1.00 0.00 C ATOM 630 C LEU A 330 3.256 -12.580 -2.719 1.00 0.00 C ATOM 631 O LEU A 330 2.724 -12.917 -3.778 1.00 0.00 O ATOM 632 CB LEU A 330 1.465 -13.463 -1.212 1.00 0.00 C ATOM 633 CG LEU A 330 0.187 -13.458 -2.050 1.00 0.00 C ATOM 634 CD1 LEU A 330 0.073 -14.736 -2.866 1.00 0.00 C ATOM 635 CD2 LEU A 330 -1.037 -13.276 -1.163 1.00 0.00 C ATOM 0 H LEU A 330 0.639 -11.168 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 330 3.075 -12.164 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 330 2.001 -14.394 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 330 1.192 -13.457 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 330 0.237 -12.616 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -0.844 -14.711 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 330 0.931 -14.819 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 330 0.050 -15.595 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -1.936 -13.275 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -1.090 -14.094 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 330 -0.962 -12.328 -0.629 1.00 0.00 H new ATOM 647 N PRO A 331 4.592 -12.454 -2.608 1.00 0.00 N ATOM 648 CA PRO A 331 5.501 -12.706 -3.730 1.00 0.00 C ATOM 649 C PRO A 331 5.648 -14.192 -4.034 1.00 0.00 C ATOM 650 O PRO A 331 4.966 -15.028 -3.442 1.00 0.00 O ATOM 651 CB PRO A 331 6.830 -12.128 -3.241 1.00 0.00 C ATOM 652 CG PRO A 331 6.766 -12.246 -1.758 1.00 0.00 C ATOM 653 CD PRO A 331 5.319 -12.057 -1.386 1.00 0.00 C ATOM 0 HA PRO A 331 5.140 -12.261 -4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 331 7.677 -12.682 -3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.949 -11.090 -3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 331 7.129 -13.219 -1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 331 7.393 -11.493 -1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 331 5.040 -12.677 -0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.107 -11.024 -1.111 1.00 0.00 H new ATOM 661 N GLU A 332 6.542 -14.515 -4.963 1.00 0.00 N ATOM 662 CA GLU A 332 6.779 -15.901 -5.348 1.00 0.00 C ATOM 663 C GLU A 332 7.486 -16.664 -4.231 1.00 0.00 C ATOM 664 O GLU A 332 8.629 -17.095 -4.383 1.00 0.00 O ATOM 665 CB GLU A 332 7.609 -15.956 -6.631 1.00 0.00 C ATOM 666 CG GLU A 332 9.009 -15.383 -6.475 1.00 0.00 C ATOM 667 CD GLU A 332 9.536 -14.777 -7.761 1.00 0.00 C ATOM 668 OE1 GLU A 332 9.836 -15.544 -8.700 1.00 0.00 O ATOM 669 OE2 GLU A 332 9.648 -13.535 -7.830 1.00 0.00 O ATOM 0 H GLU A 332 7.114 -13.835 -5.463 1.00 0.00 H new ATOM 0 HA GLU A 332 5.814 -16.376 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 332 7.684 -16.992 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 332 7.087 -15.409 -7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 332 9.001 -14.622 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 332 9.686 -16.171 -6.145 1.00 0.00 H new ATOM 676 N ASP A 333 6.797 -16.828 -3.106 1.00 0.00 N ATOM 677 CA ASP A 333 7.357 -17.537 -1.962 1.00 0.00 C ATOM 678 C ASP A 333 6.740 -18.926 -1.828 1.00 0.00 C ATOM 679 O ASP A 333 7.404 -19.873 -1.405 1.00 0.00 O ATOM 680 CB ASP A 333 7.129 -16.739 -0.677 1.00 0.00 C ATOM 681 CG ASP A 333 8.334 -16.765 0.242 1.00 0.00 C ATOM 682 OD1 ASP A 333 8.791 -17.874 0.590 1.00 0.00 O ATOM 683 OD2 ASP A 333 8.822 -15.677 0.614 1.00 0.00 O ATOM 0 H ASP A 333 5.849 -16.479 -2.963 1.00 0.00 H new ATOM 0 HA ASP A 333 8.429 -17.649 -2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 333 6.892 -15.706 -0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 333 6.265 -17.144 -0.150 1.00 0.00 H new ATOM 688 N LYS A 334 5.467 -19.040 -2.192 1.00 0.00 N ATOM 689 CA LYS A 334 4.761 -20.313 -2.114 1.00 0.00 C ATOM 690 C LYS A 334 4.814 -21.048 -3.449 1.00 0.00 C ATOM 691 O LYS A 334 4.897 -22.276 -3.490 1.00 0.00 O ATOM 692 CB LYS A 334 3.305 -20.088 -1.700 1.00 0.00 C ATOM 693 CG LYS A 334 3.149 -19.172 -0.495 1.00 0.00 C ATOM 694 CD LYS A 334 1.997 -19.612 0.393 1.00 0.00 C ATOM 695 CE LYS A 334 1.690 -18.576 1.462 1.00 0.00 C ATOM 696 NZ LYS A 334 0.261 -18.612 1.877 1.00 0.00 N ATOM 0 H LYS A 334 4.903 -18.266 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 334 5.255 -20.928 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 334 2.758 -19.663 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 334 2.847 -21.051 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 334 4.074 -19.168 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 334 2.979 -18.150 -0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 334 1.110 -19.780 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 334 2.244 -20.562 0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 334 2.325 -18.752 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 334 1.934 -17.583 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 0.093 -17.891 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -0.345 -18.419 1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 0.034 -19.552 2.261 1.00 0.00 H new ATOM 710 N GLY A 335 4.765 -20.289 -4.539 1.00 0.00 N ATOM 711 CA GLY A 335 4.807 -20.886 -5.860 1.00 0.00 C ATOM 712 C GLY A 335 4.501 -19.887 -6.958 1.00 0.00 C ATOM 713 O GLY A 335 3.964 -18.804 -6.643 1.00 0.00 O ATOM 714 OXT GLY A 335 4.800 -20.187 -8.133 1.00 0.00 O ATOM 0 H GLY A 335 4.697 -19.271 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 335 5.794 -21.316 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 335 4.089 -21.705 -5.908 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.357 3.036 0.738 1.00 0.00 ZN