USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=7 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= -1.07 K(o=-1.1,f=-5.9!) USER MOD Set 1.2: A 320 ASN : amide:sc=-0.00782 K(o=-1.1,f=-2) USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 180:sc= 0.0841 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 -28:sc= 0.607 USER MOD Single : A 307 SER OG : rot 180:sc= 0 USER MOD Single : A 309 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.9!) USER MOD Single : A 311 MET CE :methyl 158:sc= -3.37! (180deg=-4.43!) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 318 HIS : no HD1:sc= -10.8! C(o=-11!,f=-9.4!) USER MOD Single : A 328 ASN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 11.310 -11.301 -8.208 1.00 0.00 N ATOM 2 CA SER A 290 11.592 -10.433 -7.035 1.00 0.00 C ATOM 3 C SER A 290 12.867 -9.622 -7.242 1.00 0.00 C ATOM 4 O SER A 290 13.678 -9.934 -8.115 1.00 0.00 O ATOM 5 CB SER A 290 11.725 -11.319 -5.794 1.00 0.00 C ATOM 6 OG SER A 290 11.110 -10.716 -4.669 1.00 0.00 O ATOM 0 HA SER A 290 10.772 -9.727 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 290 11.268 -12.290 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 290 12.779 -11.499 -5.583 1.00 0.00 H new ATOM 0 HG SER A 290 11.207 -11.302 -3.890 1.00 0.00 H new ATOM 14 N PHE A 291 13.039 -8.580 -6.434 1.00 0.00 N ATOM 15 CA PHE A 291 14.215 -7.725 -6.530 1.00 0.00 C ATOM 16 C PHE A 291 14.419 -6.934 -5.241 1.00 0.00 C ATOM 17 O PHE A 291 13.921 -5.816 -5.102 1.00 0.00 O ATOM 18 CB PHE A 291 14.080 -6.767 -7.717 1.00 0.00 C ATOM 19 CG PHE A 291 14.897 -7.173 -8.910 1.00 0.00 C ATOM 20 CD1 PHE A 291 16.235 -6.826 -9.000 1.00 0.00 C ATOM 21 CD2 PHE A 291 14.327 -7.901 -9.942 1.00 0.00 C ATOM 22 CE1 PHE A 291 16.989 -7.197 -10.098 1.00 0.00 C ATOM 23 CE2 PHE A 291 15.075 -8.275 -11.041 1.00 0.00 C ATOM 24 CZ PHE A 291 16.408 -7.922 -11.120 1.00 0.00 C ATOM 0 H PHE A 291 12.378 -8.308 -5.706 1.00 0.00 H new ATOM 0 HA PHE A 291 15.086 -8.362 -6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 291 13.031 -6.707 -8.008 1.00 0.00 H new ATOM 0 HB3 PHE A 291 14.381 -5.768 -7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 291 16.694 -6.259 -8.204 1.00 0.00 H new ATOM 0 HD2 PHE A 291 13.285 -8.179 -9.886 1.00 0.00 H new ATOM 0 HE1 PHE A 291 18.031 -6.920 -10.156 1.00 0.00 H new ATOM 0 HE2 PHE A 291 14.618 -8.843 -11.838 1.00 0.00 H new ATOM 0 HZ PHE A 291 16.995 -8.212 -11.979 1.00 0.00 H new ATOM 34 N GLU A 292 15.155 -7.520 -4.303 1.00 0.00 N ATOM 35 CA GLU A 292 15.425 -6.869 -3.026 1.00 0.00 C ATOM 36 C GLU A 292 16.743 -6.103 -3.078 1.00 0.00 C ATOM 37 O GLU A 292 17.688 -6.517 -3.750 1.00 0.00 O ATOM 38 CB GLU A 292 15.468 -7.905 -1.901 1.00 0.00 C ATOM 39 CG GLU A 292 14.110 -8.177 -1.274 1.00 0.00 C ATOM 40 CD GLU A 292 14.198 -8.431 0.218 1.00 0.00 C ATOM 41 OE1 GLU A 292 14.950 -9.342 0.623 1.00 0.00 O ATOM 42 OE2 GLU A 292 13.513 -7.718 0.983 1.00 0.00 O ATOM 0 H GLU A 292 15.575 -8.444 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 292 14.620 -6.162 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 292 15.872 -8.839 -2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 292 16.154 -7.561 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 292 13.453 -7.327 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 292 13.656 -9.041 -1.760 1.00 0.00 H new ATOM 49 N GLU A 293 16.799 -4.982 -2.365 1.00 0.00 N ATOM 50 CA GLU A 293 17.997 -4.158 -2.330 1.00 0.00 C ATOM 51 C GLU A 293 18.114 -3.422 -1.000 1.00 0.00 C ATOM 52 O GLU A 293 17.302 -2.550 -0.688 1.00 0.00 O ATOM 53 CB GLU A 293 17.989 -3.153 -3.483 1.00 0.00 C ATOM 54 CG GLU A 293 17.870 -3.798 -4.855 1.00 0.00 C ATOM 55 CD GLU A 293 19.070 -4.657 -5.200 1.00 0.00 C ATOM 56 OE1 GLU A 293 20.204 -4.260 -4.855 1.00 0.00 O ATOM 57 OE2 GLU A 293 18.877 -5.727 -5.815 1.00 0.00 O ATOM 0 H GLU A 293 16.026 -4.625 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 293 18.860 -4.815 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 293 17.159 -2.460 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 293 18.905 -2.564 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 293 16.968 -4.409 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 293 17.755 -3.020 -5.610 1.00 0.00 H new ATOM 64 N ASP A 294 19.130 -3.779 -0.219 1.00 0.00 N ATOM 65 CA ASP A 294 19.356 -3.152 1.079 1.00 0.00 C ATOM 66 C ASP A 294 18.195 -3.439 2.031 1.00 0.00 C ATOM 67 O ASP A 294 17.033 -3.250 1.673 1.00 0.00 O ATOM 68 CB ASP A 294 19.532 -1.640 0.913 1.00 0.00 C ATOM 69 CG ASP A 294 19.903 -0.954 2.213 1.00 0.00 C ATOM 70 OD1 ASP A 294 20.663 -1.551 3.004 1.00 0.00 O ATOM 71 OD2 ASP A 294 19.434 0.181 2.438 1.00 0.00 O ATOM 0 H ASP A 294 19.810 -4.499 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 294 20.266 -3.573 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 294 20.306 -1.447 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 294 18.607 -1.209 0.529 1.00 0.00 H new ATOM 76 N PRO A 295 18.487 -3.902 3.264 1.00 0.00 N ATOM 77 CA PRO A 295 17.459 -4.212 4.257 1.00 0.00 C ATOM 78 C PRO A 295 16.968 -2.970 4.999 1.00 0.00 C ATOM 79 O PRO A 295 16.817 -2.985 6.221 1.00 0.00 O ATOM 80 CB PRO A 295 18.166 -5.172 5.231 1.00 0.00 C ATOM 81 CG PRO A 295 19.579 -5.304 4.748 1.00 0.00 C ATOM 82 CD PRO A 295 19.826 -4.168 3.795 1.00 0.00 C ATOM 0 HA PRO A 295 16.569 -4.637 3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 295 18.139 -4.782 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 295 17.670 -6.142 5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 295 20.277 -5.265 5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 295 19.729 -6.263 4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 295 20.242 -3.297 4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 295 20.527 -4.444 3.008 1.00 0.00 H new ATOM 90 N GLU A 296 16.719 -1.894 4.257 1.00 0.00 N ATOM 91 CA GLU A 296 16.246 -0.648 4.850 1.00 0.00 C ATOM 92 C GLU A 296 14.866 -0.265 4.317 1.00 0.00 C ATOM 93 O GLU A 296 14.182 0.577 4.898 1.00 0.00 O ATOM 94 CB GLU A 296 17.241 0.480 4.572 1.00 0.00 C ATOM 95 CG GLU A 296 18.542 0.345 5.348 1.00 0.00 C ATOM 96 CD GLU A 296 18.951 1.634 6.033 1.00 0.00 C ATOM 97 OE1 GLU A 296 18.303 2.006 7.035 1.00 0.00 O ATOM 98 OE2 GLU A 296 19.918 2.272 5.568 1.00 0.00 O ATOM 0 H GLU A 296 16.837 -1.861 3.244 1.00 0.00 H new ATOM 0 HA GLU A 296 16.164 -0.802 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 296 17.464 0.503 3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 296 16.776 1.434 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 296 18.434 -0.441 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 296 19.335 0.032 4.669 1.00 0.00 H new ATOM 105 N ILE A 297 14.460 -0.888 3.213 1.00 0.00 N ATOM 106 CA ILE A 297 13.166 -0.611 2.613 1.00 0.00 C ATOM 107 C ILE A 297 13.023 0.867 2.263 1.00 0.00 C ATOM 108 O ILE A 297 12.688 1.689 3.117 1.00 0.00 O ATOM 109 CB ILE A 297 12.023 -1.029 3.554 1.00 0.00 C ATOM 110 CG1 ILE A 297 12.127 -2.518 3.885 1.00 0.00 C ATOM 111 CG2 ILE A 297 10.677 -0.714 2.926 1.00 0.00 C ATOM 112 CD1 ILE A 297 11.067 -2.999 4.852 1.00 0.00 C ATOM 0 H ILE A 297 15.013 -1.588 2.718 1.00 0.00 H new ATOM 0 HA ILE A 297 13.104 -1.196 1.695 1.00 0.00 H new ATOM 0 HB ILE A 297 12.110 -0.462 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 297 12.053 -3.093 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 297 13.111 -2.720 4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.879 -1.016 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.606 0.357 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.578 -1.257 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 297 11.203 -4.064 5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 297 11.154 -2.451 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 297 10.079 -2.829 4.423 1.00 0.00 H new ATOM 124 N SER A 298 13.277 1.195 1.001 1.00 0.00 N ATOM 125 CA SER A 298 13.175 2.572 0.533 1.00 0.00 C ATOM 126 C SER A 298 11.730 2.924 0.198 1.00 0.00 C ATOM 127 O SER A 298 10.929 2.051 -0.137 1.00 0.00 O ATOM 128 CB SER A 298 14.062 2.782 -0.696 1.00 0.00 C ATOM 129 OG SER A 298 14.246 1.569 -1.406 1.00 0.00 O ATOM 0 H SER A 298 13.555 0.526 0.283 1.00 0.00 H new ATOM 0 HA SER A 298 13.515 3.229 1.333 1.00 0.00 H new ATOM 0 HB2 SER A 298 13.610 3.526 -1.352 1.00 0.00 H new ATOM 0 HB3 SER A 298 15.030 3.176 -0.387 1.00 0.00 H new ATOM 0 HG SER A 298 14.815 1.730 -2.188 1.00 0.00 H new ATOM 135 N LEU A 299 11.401 4.208 0.294 1.00 0.00 N ATOM 136 CA LEU A 299 10.051 4.678 0.004 1.00 0.00 C ATOM 137 C LEU A 299 9.624 4.301 -1.413 1.00 0.00 C ATOM 138 O LEU A 299 8.433 4.187 -1.704 1.00 0.00 O ATOM 139 CB LEU A 299 9.966 6.194 0.186 1.00 0.00 C ATOM 140 CG LEU A 299 8.631 6.705 0.735 1.00 0.00 C ATOM 141 CD1 LEU A 299 8.819 7.322 2.113 1.00 0.00 C ATOM 142 CD2 LEU A 299 8.009 7.714 -0.220 1.00 0.00 C ATOM 0 H LEU A 299 12.052 4.943 0.571 1.00 0.00 H new ATOM 0 HA LEU A 299 9.372 4.193 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.763 6.509 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 299 10.153 6.672 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 299 7.953 5.856 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 299 7.859 7.679 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 299 9.217 6.572 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 299 9.516 8.158 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 299 7.061 8.065 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 299 8.685 8.560 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 299 7.835 7.241 -1.186 1.00 0.00 H new ATOM 154 N ALA A 300 10.604 4.113 -2.289 1.00 0.00 N ATOM 155 CA ALA A 300 10.335 3.757 -3.676 1.00 0.00 C ATOM 156 C ALA A 300 9.682 2.382 -3.788 1.00 0.00 C ATOM 157 O ALA A 300 8.999 2.088 -4.769 1.00 0.00 O ATOM 158 CB ALA A 300 11.621 3.798 -4.487 1.00 0.00 C ATOM 0 H ALA A 300 11.594 4.202 -2.062 1.00 0.00 H new ATOM 0 HA ALA A 300 9.635 4.489 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.407 3.530 -5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.042 4.803 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.337 3.090 -4.070 1.00 0.00 H new ATOM 164 N ASP A 301 9.900 1.539 -2.782 1.00 0.00 N ATOM 165 CA ASP A 301 9.335 0.194 -2.777 1.00 0.00 C ATOM 166 C ASP A 301 7.852 0.206 -2.405 1.00 0.00 C ATOM 167 O ASP A 301 7.174 -0.817 -2.505 1.00 0.00 O ATOM 168 CB ASP A 301 10.107 -0.700 -1.805 1.00 0.00 C ATOM 169 CG ASP A 301 11.439 -1.152 -2.369 1.00 0.00 C ATOM 170 OD1 ASP A 301 12.086 -0.351 -3.076 1.00 0.00 O ATOM 171 OD2 ASP A 301 11.835 -2.305 -2.104 1.00 0.00 O ATOM 0 H ASP A 301 10.463 1.764 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 301 9.425 -0.205 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.275 -0.159 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.503 -1.574 -1.562 1.00 0.00 H new ATOM 176 N TYR A 302 7.351 1.361 -1.969 1.00 0.00 N ATOM 177 CA TYR A 302 5.952 1.491 -1.580 1.00 0.00 C ATOM 178 C TYR A 302 5.021 0.974 -2.667 1.00 0.00 C ATOM 179 O TYR A 302 5.466 0.586 -3.747 1.00 0.00 O ATOM 180 CB TYR A 302 5.625 2.951 -1.290 1.00 0.00 C ATOM 181 CG TYR A 302 6.051 3.387 0.086 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.207 2.879 0.654 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.297 4.290 0.821 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.605 3.253 1.913 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.689 4.675 2.089 1.00 0.00 C ATOM 186 CZ TYR A 302 6.845 4.152 2.632 1.00 0.00 C ATOM 187 OH TYR A 302 7.242 4.530 3.894 1.00 0.00 O ATOM 0 H TYR A 302 7.895 2.219 -1.877 1.00 0.00 H new ATOM 0 HA TYR A 302 5.801 0.891 -0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.114 3.582 -2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.551 3.106 -1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.807 2.175 0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.391 4.698 0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.510 2.845 2.339 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.095 5.380 2.651 1.00 0.00 H new ATOM 0 HH TYR A 302 6.597 5.169 4.262 1.00 0.00 H new ATOM 197 N TRP A 303 3.723 0.997 -2.385 1.00 0.00 N ATOM 198 CA TRP A 303 2.733 0.556 -3.355 1.00 0.00 C ATOM 199 C TRP A 303 1.558 1.518 -3.400 1.00 0.00 C ATOM 200 O TRP A 303 1.385 2.351 -2.509 1.00 0.00 O ATOM 201 CB TRP A 303 2.247 -0.867 -3.066 1.00 0.00 C ATOM 202 CG TRP A 303 1.801 -1.111 -1.652 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.563 -1.554 -0.604 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.473 -0.952 -1.142 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.785 -1.676 0.528 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.498 -1.313 0.219 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.737 -0.536 -1.705 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.644 -1.270 1.020 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -1.863 -0.494 -0.907 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.811 -0.859 0.439 1.00 0.00 C ATOM 0 H TRP A 303 3.335 1.315 -1.497 1.00 0.00 H new ATOM 0 HA TRP A 303 3.218 0.548 -4.331 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.419 -1.095 -3.737 1.00 0.00 H new ATOM 0 HB3 TRP A 303 3.050 -1.564 -3.303 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.619 -1.775 -0.656 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.112 -1.985 1.443 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -0.790 -0.252 -2.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.607 -1.551 2.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -2.802 -0.172 -1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.711 -0.816 1.034 1.00 0.00 H new ATOM 221 N LYS A 304 0.761 1.402 -4.452 1.00 0.00 N ATOM 222 CA LYS A 304 -0.397 2.271 -4.628 1.00 0.00 C ATOM 223 C LYS A 304 -1.696 1.540 -4.328 1.00 0.00 C ATOM 224 O LYS A 304 -2.036 0.552 -4.980 1.00 0.00 O ATOM 225 CB LYS A 304 -0.440 2.834 -6.050 1.00 0.00 C ATOM 226 CG LYS A 304 -1.631 3.748 -6.305 1.00 0.00 C ATOM 227 CD LYS A 304 -1.427 4.596 -7.551 1.00 0.00 C ATOM 228 CE LYS A 304 -0.489 5.763 -7.285 1.00 0.00 C ATOM 229 NZ LYS A 304 -0.975 7.020 -7.917 1.00 0.00 N ATOM 0 H LYS A 304 0.893 0.717 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.294 3.093 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.480 3.387 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -0.468 2.007 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -2.534 3.148 -6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -1.784 4.397 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.021 3.977 -8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -2.389 4.973 -7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 304 -0.390 5.912 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 304 0.504 5.525 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 -0.308 7.792 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 -1.045 6.887 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -1.912 7.261 -7.535 1.00 0.00 H new ATOM 243 N CYS A 305 -2.423 2.044 -3.341 1.00 0.00 N ATOM 244 CA CYS A 305 -3.697 1.457 -2.947 1.00 0.00 C ATOM 245 C CYS A 305 -4.742 1.668 -4.044 1.00 0.00 C ATOM 246 O CYS A 305 -5.001 2.795 -4.463 1.00 0.00 O ATOM 247 CB CYS A 305 -4.142 2.065 -1.613 1.00 0.00 C ATOM 248 SG CYS A 305 -5.829 1.666 -1.108 1.00 0.00 S ATOM 0 H CYS A 305 -2.151 2.862 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.583 0.381 -2.813 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.458 1.730 -0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -4.046 3.149 -1.677 1.00 0.00 H new ATOM 254 N THR A 306 -5.316 0.566 -4.525 1.00 0.00 N ATOM 255 CA THR A 306 -6.308 0.615 -5.601 1.00 0.00 C ATOM 256 C THR A 306 -7.627 1.247 -5.156 1.00 0.00 C ATOM 257 O THR A 306 -8.514 1.482 -5.976 1.00 0.00 O ATOM 258 CB THR A 306 -6.569 -0.792 -6.141 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.544 -0.763 -7.168 1.00 0.00 O ATOM 260 CG2 THR A 306 -7.046 -1.763 -5.083 1.00 0.00 C ATOM 0 H THR A 306 -5.111 -0.374 -4.186 1.00 0.00 H new ATOM 0 HA THR A 306 -5.892 1.246 -6.387 1.00 0.00 H new ATOM 0 HB THR A 306 -5.607 -1.137 -6.519 1.00 0.00 H new ATOM 0 HG1 THR A 306 -8.145 -0.002 -7.027 1.00 0.00 H new ATOM 0 HG21 THR A 306 -7.212 -2.741 -5.535 1.00 0.00 H new ATOM 0 HG22 THR A 306 -6.292 -1.848 -4.300 1.00 0.00 H new ATOM 0 HG23 THR A 306 -7.979 -1.401 -4.650 1.00 0.00 H new ATOM 268 N SER A 307 -7.758 1.517 -3.865 1.00 0.00 N ATOM 269 CA SER A 307 -8.974 2.115 -3.336 1.00 0.00 C ATOM 270 C SER A 307 -8.918 3.636 -3.411 1.00 0.00 C ATOM 271 O SER A 307 -9.553 4.251 -4.267 1.00 0.00 O ATOM 272 CB SER A 307 -9.195 1.669 -1.888 1.00 0.00 C ATOM 273 OG SER A 307 -10.422 0.973 -1.750 1.00 0.00 O ATOM 0 H SER A 307 -7.038 1.332 -3.166 1.00 0.00 H new ATOM 0 HA SER A 307 -9.810 1.776 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 307 -8.372 1.028 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 307 -9.191 2.539 -1.232 1.00 0.00 H new ATOM 0 HG SER A 307 -10.539 0.697 -0.817 1.00 0.00 H new ATOM 279 N CYS A 308 -8.159 4.235 -2.502 1.00 0.00 N ATOM 280 CA CYS A 308 -8.027 5.689 -2.457 1.00 0.00 C ATOM 281 C CYS A 308 -6.772 6.181 -3.180 1.00 0.00 C ATOM 282 O CYS A 308 -6.504 7.382 -3.207 1.00 0.00 O ATOM 283 CB CYS A 308 -8.024 6.187 -1.008 1.00 0.00 C ATOM 284 SG CYS A 308 -6.997 5.215 0.119 1.00 0.00 S ATOM 0 H CYS A 308 -7.626 3.740 -1.787 1.00 0.00 H new ATOM 0 HA CYS A 308 -8.891 6.101 -2.979 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -7.678 7.221 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -9.048 6.188 -0.636 1.00 0.00 H new ATOM 290 N ASN A 309 -6.003 5.264 -3.767 1.00 0.00 N ATOM 291 CA ASN A 309 -4.787 5.642 -4.481 1.00 0.00 C ATOM 292 C ASN A 309 -3.736 6.179 -3.514 1.00 0.00 C ATOM 293 O ASN A 309 -2.910 7.013 -3.883 1.00 0.00 O ATOM 294 CB ASN A 309 -5.099 6.691 -5.553 1.00 0.00 C ATOM 295 CG ASN A 309 -5.061 6.115 -6.954 1.00 0.00 C ATOM 296 OD1 ASN A 309 -4.510 5.038 -7.180 1.00 0.00 O ATOM 297 ND2 ASN A 309 -5.646 6.834 -7.905 1.00 0.00 N ATOM 0 H ASN A 309 -6.199 4.263 -3.762 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.389 4.751 -4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.085 7.117 -5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.380 7.507 -5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -5.650 6.498 -8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -6.091 7.722 -7.672 1.00 0.00 H new ATOM 304 N GLU A 310 -3.770 5.692 -2.279 1.00 0.00 N ATOM 305 CA GLU A 310 -2.814 6.123 -1.267 1.00 0.00 C ATOM 306 C GLU A 310 -1.509 5.355 -1.407 1.00 0.00 C ATOM 307 O GLU A 310 -1.473 4.276 -1.997 1.00 0.00 O ATOM 308 CB GLU A 310 -3.385 5.919 0.138 1.00 0.00 C ATOM 309 CG GLU A 310 -2.919 6.963 1.140 1.00 0.00 C ATOM 310 CD GLU A 310 -3.951 8.047 1.374 1.00 0.00 C ATOM 311 OE1 GLU A 310 -5.155 7.721 1.426 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.555 9.226 1.503 1.00 0.00 O ATOM 0 H GLU A 310 -4.447 5.001 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.620 7.185 -1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.474 5.938 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -3.100 4.930 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.689 6.475 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.995 7.417 0.783 1.00 0.00 H new ATOM 319 N MET A 311 -0.440 5.910 -0.857 1.00 0.00 N ATOM 320 CA MET A 311 0.861 5.267 -0.920 1.00 0.00 C ATOM 321 C MET A 311 1.170 4.575 0.401 1.00 0.00 C ATOM 322 O MET A 311 0.888 5.108 1.474 1.00 0.00 O ATOM 323 CB MET A 311 1.948 6.291 -1.250 1.00 0.00 C ATOM 324 CG MET A 311 1.899 6.785 -2.689 1.00 0.00 C ATOM 325 SD MET A 311 3.475 6.602 -3.547 1.00 0.00 S ATOM 326 CE MET A 311 3.892 4.910 -3.131 1.00 0.00 C ATOM 0 H MET A 311 -0.449 6.802 -0.363 1.00 0.00 H new ATOM 0 HA MET A 311 0.841 4.518 -1.711 1.00 0.00 H new ATOM 0 HB2 MET A 311 1.849 7.143 -0.578 1.00 0.00 H new ATOM 0 HB3 MET A 311 2.925 5.846 -1.060 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.130 6.235 -3.231 1.00 0.00 H new ATOM 0 HG3 MET A 311 1.606 7.835 -2.698 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.596 4.518 -3.865 1.00 0.00 H new ATOM 0 HE2 MET A 311 4.346 4.880 -2.140 1.00 0.00 H new ATOM 0 HE3 MET A 311 2.988 4.301 -3.135 1.00 0.00 H new ATOM 336 N ASN A 312 1.738 3.380 0.317 1.00 0.00 N ATOM 337 CA ASN A 312 2.070 2.610 1.508 1.00 0.00 C ATOM 338 C ASN A 312 3.400 1.887 1.335 1.00 0.00 C ATOM 339 O ASN A 312 3.830 1.633 0.213 1.00 0.00 O ATOM 340 CB ASN A 312 0.968 1.593 1.784 1.00 0.00 C ATOM 341 CG ASN A 312 -0.394 2.242 1.940 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.776 2.652 3.035 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.136 2.333 0.840 1.00 0.00 N ATOM 0 H ASN A 312 1.978 2.923 -0.563 1.00 0.00 H new ATOM 0 HA ASN A 312 2.157 3.297 2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.932 0.871 0.968 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.209 1.038 2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -2.063 2.757 0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -0.778 1.979 -0.047 1.00 0.00 H new ATOM 350 N PRO A 313 4.068 1.533 2.443 1.00 0.00 N ATOM 351 CA PRO A 313 5.344 0.831 2.388 1.00 0.00 C ATOM 352 C PRO A 313 5.166 -0.657 2.120 1.00 0.00 C ATOM 353 O PRO A 313 4.047 -1.166 2.106 1.00 0.00 O ATOM 354 CB PRO A 313 5.928 1.067 3.776 1.00 0.00 C ATOM 355 CG PRO A 313 4.736 1.147 4.661 1.00 0.00 C ATOM 356 CD PRO A 313 3.638 1.778 3.835 1.00 0.00 C ATOM 0 HA PRO A 313 5.982 1.188 1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.591 0.255 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.513 1.986 3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.442 0.156 5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 313 4.949 1.745 5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.669 1.323 4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.541 2.844 4.043 1.00 0.00 H new ATOM 364 N PRO A 314 6.275 -1.371 1.892 1.00 0.00 N ATOM 365 CA PRO A 314 6.258 -2.807 1.614 1.00 0.00 C ATOM 366 C PRO A 314 5.994 -3.649 2.863 1.00 0.00 C ATOM 367 O PRO A 314 5.596 -4.811 2.762 1.00 0.00 O ATOM 368 CB PRO A 314 7.663 -3.093 1.057 1.00 0.00 C ATOM 369 CG PRO A 314 8.327 -1.761 0.907 1.00 0.00 C ATOM 370 CD PRO A 314 7.643 -0.840 1.874 1.00 0.00 C ATOM 0 HA PRO A 314 5.455 -3.069 0.926 1.00 0.00 H new ATOM 0 HB2 PRO A 314 8.227 -3.736 1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.605 -3.610 0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 314 9.393 -1.831 1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 314 8.233 -1.392 -0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 314 8.105 -0.870 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.673 0.197 1.540 1.00 0.00 H new ATOM 378 N LEU A 315 6.244 -3.073 4.038 1.00 0.00 N ATOM 379 CA LEU A 315 6.058 -3.793 5.298 1.00 0.00 C ATOM 380 C LEU A 315 4.647 -4.375 5.424 1.00 0.00 C ATOM 381 O LEU A 315 4.485 -5.572 5.661 1.00 0.00 O ATOM 382 CB LEU A 315 6.358 -2.872 6.485 1.00 0.00 C ATOM 383 CG LEU A 315 7.840 -2.752 6.851 1.00 0.00 C ATOM 384 CD1 LEU A 315 8.358 -1.357 6.532 1.00 0.00 C ATOM 385 CD2 LEU A 315 8.059 -3.080 8.321 1.00 0.00 C ATOM 0 H LEU A 315 6.575 -2.114 4.144 1.00 0.00 H new ATOM 0 HA LEU A 315 6.759 -4.628 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 315 5.973 -1.877 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 315 5.812 -3.236 7.355 1.00 0.00 H new ATOM 0 HG LEU A 315 8.399 -3.472 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 315 9.413 -1.291 6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 315 8.240 -1.160 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 315 7.793 -0.620 7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 315 9.119 -2.989 8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 315 7.487 -2.387 8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 315 7.729 -4.100 8.519 1.00 0.00 H new ATOM 397 N PRO A 316 3.604 -3.540 5.272 1.00 0.00 N ATOM 398 CA PRO A 316 2.218 -3.976 5.374 1.00 0.00 C ATOM 399 C PRO A 316 1.652 -4.440 4.040 1.00 0.00 C ATOM 400 O PRO A 316 2.389 -4.633 3.073 1.00 0.00 O ATOM 401 CB PRO A 316 1.508 -2.705 5.825 1.00 0.00 C ATOM 402 CG PRO A 316 2.282 -1.596 5.192 1.00 0.00 C ATOM 403 CD PRO A 316 3.692 -2.098 4.993 1.00 0.00 C ATOM 0 HA PRO A 316 2.101 -4.828 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.467 -2.697 5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.505 -2.617 6.911 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.837 -1.310 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.274 -0.710 5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 316 4.043 -1.909 3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 316 4.390 -1.603 5.669 1.00 0.00 H new ATOM 411 N SER A 317 0.335 -4.601 3.994 1.00 0.00 N ATOM 412 CA SER A 317 -0.336 -5.025 2.776 1.00 0.00 C ATOM 413 C SER A 317 -1.523 -4.111 2.471 1.00 0.00 C ATOM 414 O SER A 317 -1.750 -3.752 1.317 1.00 0.00 O ATOM 415 CB SER A 317 -0.787 -6.481 2.886 1.00 0.00 C ATOM 416 OG SER A 317 0.071 -7.335 2.149 1.00 0.00 O ATOM 0 H SER A 317 -0.287 -4.444 4.787 1.00 0.00 H new ATOM 0 HA SER A 317 0.373 -4.952 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 317 -0.797 -6.784 3.933 1.00 0.00 H new ATOM 0 HB3 SER A 317 -1.808 -6.578 2.517 1.00 0.00 H new ATOM 0 HG SER A 317 -0.236 -8.262 2.236 1.00 0.00 H new ATOM 422 N HIS A 318 -2.270 -3.710 3.506 1.00 0.00 N ATOM 423 CA HIS A 318 -3.403 -2.814 3.293 1.00 0.00 C ATOM 424 C HIS A 318 -2.990 -1.372 3.482 1.00 0.00 C ATOM 425 O HIS A 318 -2.011 -1.063 4.162 1.00 0.00 O ATOM 426 CB HIS A 318 -4.621 -3.109 4.189 1.00 0.00 C ATOM 427 CG HIS A 318 -4.336 -3.824 5.459 1.00 0.00 C ATOM 428 ND1 HIS A 318 -5.126 -4.845 5.934 1.00 0.00 N ATOM 429 CD2 HIS A 318 -3.362 -3.650 6.360 1.00 0.00 C ATOM 430 CE1 HIS A 318 -4.643 -5.274 7.080 1.00 0.00 C ATOM 431 NE2 HIS A 318 -3.565 -4.564 7.366 1.00 0.00 N ATOM 0 H HIS A 318 -2.113 -3.986 4.476 1.00 0.00 H new ATOM 0 HA HIS A 318 -3.715 -2.993 2.264 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -5.108 -2.164 4.429 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.335 -3.699 3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -2.563 -2.925 6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -5.056 -6.069 7.683 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -2.981 -4.676 8.195 1.00 0.00 H new ATOM 440 N CYS A 319 -3.756 -0.501 2.863 1.00 0.00 N ATOM 441 CA CYS A 319 -3.512 0.928 2.925 1.00 0.00 C ATOM 442 C CYS A 319 -3.659 1.434 4.358 1.00 0.00 C ATOM 443 O CYS A 319 -4.537 0.989 5.098 1.00 0.00 O ATOM 444 CB CYS A 319 -4.478 1.640 1.976 1.00 0.00 C ATOM 445 SG CYS A 319 -4.633 3.424 2.236 1.00 0.00 S ATOM 0 H CYS A 319 -4.567 -0.761 2.301 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.491 1.142 2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.151 1.465 0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.464 1.186 2.078 1.00 0.00 H new ATOM 450 N ASN A 320 -2.783 2.360 4.745 1.00 0.00 N ATOM 451 CA ASN A 320 -2.797 2.922 6.094 1.00 0.00 C ATOM 452 C ASN A 320 -3.880 3.988 6.260 1.00 0.00 C ATOM 453 O ASN A 320 -3.747 4.896 7.080 1.00 0.00 O ATOM 454 CB ASN A 320 -1.430 3.521 6.428 1.00 0.00 C ATOM 455 CG ASN A 320 -0.300 2.531 6.223 1.00 0.00 C ATOM 456 OD1 ASN A 320 0.614 2.770 5.434 1.00 0.00 O ATOM 457 ND2 ASN A 320 -0.357 1.411 6.934 1.00 0.00 N ATOM 0 H ASN A 320 -2.053 2.738 4.141 1.00 0.00 H new ATOM 0 HA ASN A 320 -3.022 2.108 6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -1.259 4.398 5.804 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.428 3.861 7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 320 0.376 0.708 6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 320 -1.133 1.254 7.577 1.00 0.00 H new ATOM 464 N ARG A 321 -4.954 3.869 5.489 1.00 0.00 N ATOM 465 CA ARG A 321 -6.059 4.813 5.560 1.00 0.00 C ATOM 466 C ARG A 321 -7.385 4.070 5.463 1.00 0.00 C ATOM 467 O ARG A 321 -8.230 4.157 6.354 1.00 0.00 O ATOM 468 CB ARG A 321 -5.957 5.846 4.436 1.00 0.00 C ATOM 469 CG ARG A 321 -4.665 6.649 4.457 1.00 0.00 C ATOM 470 CD ARG A 321 -4.895 8.064 4.965 1.00 0.00 C ATOM 471 NE ARG A 321 -4.636 8.178 6.399 1.00 0.00 N ATOM 472 CZ ARG A 321 -4.750 9.314 7.083 1.00 0.00 C ATOM 473 NH1 ARG A 321 -5.117 10.433 6.471 1.00 0.00 N ATOM 474 NH2 ARG A 321 -4.497 9.331 8.386 1.00 0.00 N ATOM 0 H ARG A 321 -5.082 3.124 4.805 1.00 0.00 H new ATOM 0 HA ARG A 321 -6.009 5.334 6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -6.041 5.335 3.477 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.801 6.532 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -3.934 6.148 5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.242 6.686 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -4.248 8.754 4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -5.923 8.362 4.757 1.00 0.00 H new ATOM 0 HE ARG A 321 -4.352 7.339 6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -5.314 10.426 5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -5.202 11.300 7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -4.216 8.474 8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -4.584 10.201 8.911 1.00 0.00 H new ATOM 488 N CYS A 322 -7.552 3.332 4.371 1.00 0.00 N ATOM 489 CA CYS A 322 -8.765 2.560 4.143 1.00 0.00 C ATOM 490 C CYS A 322 -8.570 1.092 4.532 1.00 0.00 C ATOM 491 O CYS A 322 -9.543 0.350 4.677 1.00 0.00 O ATOM 492 CB CYS A 322 -9.187 2.666 2.675 1.00 0.00 C ATOM 493 SG CYS A 322 -8.165 1.704 1.532 1.00 0.00 S ATOM 0 H CYS A 322 -6.858 3.253 3.627 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.553 2.973 4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.222 2.337 2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -9.157 3.714 2.376 1.00 0.00 H new ATOM 498 N TRP A 323 -7.313 0.675 4.693 1.00 0.00 N ATOM 499 CA TRP A 323 -7.003 -0.702 5.053 1.00 0.00 C ATOM 500 C TRP A 323 -7.310 -1.653 3.898 1.00 0.00 C ATOM 501 O TRP A 323 -7.727 -2.792 4.112 1.00 0.00 O ATOM 502 CB TRP A 323 -7.772 -1.125 6.308 1.00 0.00 C ATOM 503 CG TRP A 323 -6.892 -1.312 7.506 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.089 -0.374 8.089 1.00 0.00 C ATOM 505 CD2 TRP A 323 -6.722 -2.514 8.265 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.432 -0.919 9.165 1.00 0.00 N ATOM 507 CE2 TRP A 323 -5.805 -2.232 9.293 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.259 -3.802 8.175 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.412 -3.190 10.225 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -6.869 -4.751 9.100 1.00 0.00 C ATOM 511 CH2 TRP A 323 -5.953 -4.441 10.114 1.00 0.00 C ATOM 0 H TRP A 323 -6.496 1.274 4.579 1.00 0.00 H new ATOM 0 HA TRP A 323 -5.936 -0.756 5.267 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.527 -0.372 6.534 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.301 -2.056 6.105 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -5.986 0.647 7.753 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -4.774 -0.427 9.770 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -7.966 -4.050 7.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -4.706 -2.953 11.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.277 -5.749 9.041 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -5.669 -5.205 10.822 1.00 0.00 H new ATOM 522 N ALA A 324 -7.081 -1.187 2.673 1.00 0.00 N ATOM 523 CA ALA A 324 -7.313 -2.008 1.489 1.00 0.00 C ATOM 524 C ALA A 324 -6.137 -2.951 1.281 1.00 0.00 C ATOM 525 O ALA A 324 -5.166 -2.599 0.614 1.00 0.00 O ATOM 526 CB ALA A 324 -7.513 -1.134 0.260 1.00 0.00 C ATOM 0 H ALA A 324 -6.736 -0.248 2.475 1.00 0.00 H new ATOM 0 HA ALA A 324 -8.220 -2.594 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.684 -1.766 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.375 -0.484 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.623 -0.525 0.098 1.00 0.00 H new ATOM 532 N LEU A 325 -6.214 -4.132 1.889 1.00 0.00 N ATOM 533 CA LEU A 325 -5.136 -5.111 1.803 1.00 0.00 C ATOM 534 C LEU A 325 -4.734 -5.405 0.368 1.00 0.00 C ATOM 535 O LEU A 325 -5.128 -6.419 -0.206 1.00 0.00 O ATOM 536 CB LEU A 325 -5.511 -6.396 2.535 1.00 0.00 C ATOM 537 CG LEU A 325 -4.313 -7.188 3.036 1.00 0.00 C ATOM 538 CD1 LEU A 325 -3.617 -6.407 4.126 1.00 0.00 C ATOM 539 CD2 LEU A 325 -4.741 -8.559 3.534 1.00 0.00 C ATOM 0 H LEU A 325 -7.013 -4.434 2.447 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.267 -4.671 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.151 -6.147 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -6.098 -7.026 1.867 1.00 0.00 H new ATOM 0 HG LEU A 325 -3.616 -7.343 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -2.758 -6.972 4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -3.280 -5.449 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -4.310 -6.235 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -3.867 -9.107 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -5.452 -8.443 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -5.211 -9.111 2.720 1.00 0.00 H new ATOM 551 N ARG A 326 -3.913 -4.503 -0.177 1.00 0.00 N ATOM 552 CA ARG A 326 -3.383 -4.605 -1.538 1.00 0.00 C ATOM 553 C ARG A 326 -4.279 -5.434 -2.466 1.00 0.00 C ATOM 554 O ARG A 326 -5.482 -5.563 -2.239 1.00 0.00 O ATOM 555 CB ARG A 326 -1.972 -5.186 -1.473 1.00 0.00 C ATOM 556 CG ARG A 326 -1.026 -4.601 -2.504 1.00 0.00 C ATOM 557 CD ARG A 326 0.296 -4.203 -1.876 1.00 0.00 C ATOM 558 NE ARG A 326 1.256 -3.761 -2.879 1.00 0.00 N ATOM 559 CZ ARG A 326 2.511 -4.206 -2.966 1.00 0.00 C ATOM 560 NH1 ARG A 326 2.976 -5.091 -2.094 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.304 -3.760 -3.930 1.00 0.00 N ATOM 0 H ARG A 326 -3.594 -3.672 0.321 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.357 -3.604 -1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -1.563 -5.014 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -2.026 -6.266 -1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -0.850 -5.330 -3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.486 -3.730 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 326 0.130 -3.404 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.707 -5.049 -1.326 1.00 0.00 H new ATOM 0 HE ARG A 326 0.949 -3.066 -3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.373 -5.438 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 326 3.937 -5.425 -2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 326 2.955 -3.078 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.264 -4.099 -3.998 1.00 0.00 H new ATOM 575 N GLU A 327 -3.687 -5.981 -3.522 1.00 0.00 N ATOM 576 CA GLU A 327 -4.432 -6.786 -4.484 1.00 0.00 C ATOM 577 C GLU A 327 -3.542 -7.851 -5.112 1.00 0.00 C ATOM 578 O GLU A 327 -3.934 -9.013 -5.228 1.00 0.00 O ATOM 579 CB GLU A 327 -5.036 -5.895 -5.572 1.00 0.00 C ATOM 580 CG GLU A 327 -6.554 -5.835 -5.537 1.00 0.00 C ATOM 581 CD GLU A 327 -7.162 -5.655 -6.914 1.00 0.00 C ATOM 582 OE1 GLU A 327 -7.340 -4.493 -7.337 1.00 0.00 O ATOM 583 OE2 GLU A 327 -7.462 -6.675 -7.570 1.00 0.00 O ATOM 0 H GLU A 327 -2.694 -5.882 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 327 -5.239 -7.287 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.638 -4.886 -5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -4.718 -6.261 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -6.940 -6.751 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -6.867 -5.011 -4.895 1.00 0.00 H new ATOM 590 N ASN A 328 -2.346 -7.450 -5.518 1.00 0.00 N ATOM 591 CA ASN A 328 -1.401 -8.371 -6.137 1.00 0.00 C ATOM 592 C ASN A 328 -0.179 -8.580 -5.248 1.00 0.00 C ATOM 593 O ASN A 328 0.879 -7.996 -5.485 1.00 0.00 O ATOM 594 CB ASN A 328 -0.967 -7.848 -7.507 1.00 0.00 C ATOM 595 CG ASN A 328 -0.135 -8.856 -8.274 1.00 0.00 C ATOM 596 OD1 ASN A 328 0.962 -8.548 -8.738 1.00 0.00 O ATOM 597 ND2 ASN A 328 -0.655 -10.070 -8.410 1.00 0.00 N ATOM 0 H ASN A 328 -2.006 -6.492 -5.430 1.00 0.00 H new ATOM 0 HA ASN A 328 -1.902 -9.331 -6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -1.851 -7.591 -8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 328 -0.393 -6.931 -7.377 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -0.141 -10.791 -8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 328 -1.569 -10.281 -8.009 1.00 0.00 H new ATOM 604 N TRP A 329 -0.329 -9.418 -4.227 1.00 0.00 N ATOM 605 CA TRP A 329 0.769 -9.704 -3.309 1.00 0.00 C ATOM 606 C TRP A 329 1.214 -11.159 -3.430 1.00 0.00 C ATOM 607 O TRP A 329 2.202 -11.461 -4.098 1.00 0.00 O ATOM 608 CB TRP A 329 0.388 -9.386 -1.851 1.00 0.00 C ATOM 609 CG TRP A 329 -1.087 -9.262 -1.589 1.00 0.00 C ATOM 610 CD1 TRP A 329 -1.989 -8.507 -2.285 1.00 0.00 C ATOM 611 CD2 TRP A 329 -1.827 -9.897 -0.539 1.00 0.00 C ATOM 612 NE1 TRP A 329 -3.241 -8.643 -1.738 1.00 0.00 N ATOM 613 CE2 TRP A 329 -3.168 -9.492 -0.666 1.00 0.00 C ATOM 614 CE3 TRP A 329 -1.485 -10.775 0.494 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -4.166 -9.932 0.200 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -2.476 -11.211 1.354 1.00 0.00 C ATOM 617 CH2 TRP A 329 -3.803 -10.790 1.201 1.00 0.00 C ATOM 0 H TRP A 329 -1.197 -9.910 -4.015 1.00 0.00 H new ATOM 0 HA TRP A 329 1.601 -9.057 -3.589 1.00 0.00 H new ATOM 0 HB2 TRP A 329 0.791 -10.168 -1.208 1.00 0.00 H new ATOM 0 HB3 TRP A 329 0.872 -8.454 -1.560 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.751 -7.893 -3.141 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -4.088 -8.186 -2.075 1.00 0.00 H new ATOM 0 HE3 TRP A 329 -0.465 -11.107 0.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -5.190 -9.607 0.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -2.223 -11.887 2.157 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -4.555 -11.150 1.888 1.00 0.00 H new ATOM 628 N LEU A 330 0.480 -12.055 -2.782 1.00 0.00 N ATOM 629 CA LEU A 330 0.802 -13.478 -2.819 1.00 0.00 C ATOM 630 C LEU A 330 0.766 -14.008 -4.252 1.00 0.00 C ATOM 631 O LEU A 330 -0.045 -13.563 -5.064 1.00 0.00 O ATOM 632 CB LEU A 330 -0.175 -14.272 -1.949 1.00 0.00 C ATOM 633 CG LEU A 330 -0.279 -13.800 -0.499 1.00 0.00 C ATOM 634 CD1 LEU A 330 -1.477 -14.440 0.186 1.00 0.00 C ATOM 635 CD2 LEU A 330 1.003 -14.116 0.258 1.00 0.00 C ATOM 0 H LEU A 330 -0.342 -11.823 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 330 1.811 -13.603 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 330 -1.165 -14.223 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 330 0.126 -15.319 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 330 -0.421 -12.719 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -1.535 -14.092 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -2.389 -14.163 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -1.366 -15.524 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 330 0.911 -13.773 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 330 1.176 -15.192 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 330 1.842 -13.609 -0.220 1.00 0.00 H new ATOM 647 N PRO A 331 1.646 -14.971 -4.580 1.00 0.00 N ATOM 648 CA PRO A 331 1.703 -15.559 -5.923 1.00 0.00 C ATOM 649 C PRO A 331 0.347 -16.084 -6.380 1.00 0.00 C ATOM 650 O PRO A 331 -0.004 -15.987 -7.556 1.00 0.00 O ATOM 651 CB PRO A 331 2.697 -16.713 -5.767 1.00 0.00 C ATOM 652 CG PRO A 331 3.544 -16.332 -4.603 1.00 0.00 C ATOM 653 CD PRO A 331 2.648 -15.562 -3.674 1.00 0.00 C ATOM 0 HA PRO A 331 1.996 -14.827 -6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 331 2.182 -17.657 -5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 331 3.297 -16.842 -6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 331 3.950 -17.215 -4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 331 4.392 -15.725 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 331 2.185 -16.212 -2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 331 3.198 -14.796 -3.128 1.00 0.00 H new ATOM 661 N GLU A 332 -0.414 -16.637 -5.441 1.00 0.00 N ATOM 662 CA GLU A 332 -1.734 -17.177 -5.744 1.00 0.00 C ATOM 663 C GLU A 332 -2.737 -16.799 -4.659 1.00 0.00 C ATOM 664 O GLU A 332 -2.358 -16.366 -3.572 1.00 0.00 O ATOM 665 CB GLU A 332 -1.665 -18.698 -5.884 1.00 0.00 C ATOM 666 CG GLU A 332 -1.127 -19.399 -4.646 1.00 0.00 C ATOM 667 CD GLU A 332 -0.246 -20.585 -4.985 1.00 0.00 C ATOM 668 OE1 GLU A 332 0.850 -20.372 -5.546 1.00 0.00 O ATOM 669 OE2 GLU A 332 -0.653 -21.729 -4.691 1.00 0.00 O ATOM 0 H GLU A 332 -0.138 -16.723 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 332 -2.068 -16.747 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -2.662 -19.080 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -1.033 -18.948 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -0.558 -18.687 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -1.962 -19.735 -4.031 1.00 0.00 H new ATOM 676 N ASP A 333 -4.020 -16.966 -4.963 1.00 0.00 N ATOM 677 CA ASP A 333 -5.079 -16.644 -4.014 1.00 0.00 C ATOM 678 C ASP A 333 -5.898 -17.882 -3.669 1.00 0.00 C ATOM 679 O ASP A 333 -6.285 -18.083 -2.518 1.00 0.00 O ATOM 680 CB ASP A 333 -5.993 -15.558 -4.587 1.00 0.00 C ATOM 681 CG ASP A 333 -5.287 -14.223 -4.725 1.00 0.00 C ATOM 682 OD1 ASP A 333 -4.848 -13.674 -3.692 1.00 0.00 O ATOM 683 OD2 ASP A 333 -5.174 -13.727 -5.866 1.00 0.00 O ATOM 0 H ASP A 333 -4.351 -17.323 -5.859 1.00 0.00 H new ATOM 0 HA ASP A 333 -4.612 -16.274 -3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -6.361 -15.874 -5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -6.863 -15.441 -3.941 1.00 0.00 H new ATOM 688 N LYS A 334 -6.158 -18.709 -4.674 1.00 0.00 N ATOM 689 CA LYS A 334 -6.931 -19.930 -4.482 1.00 0.00 C ATOM 690 C LYS A 334 -6.496 -21.010 -5.467 1.00 0.00 C ATOM 691 O LYS A 334 -6.176 -22.131 -5.072 1.00 0.00 O ATOM 692 CB LYS A 334 -8.425 -19.644 -4.646 1.00 0.00 C ATOM 693 CG LYS A 334 -9.319 -20.702 -4.021 1.00 0.00 C ATOM 694 CD LYS A 334 -10.502 -20.078 -3.297 1.00 0.00 C ATOM 695 CE LYS A 334 -10.271 -20.025 -1.795 1.00 0.00 C ATOM 696 NZ LYS A 334 -10.968 -21.133 -1.086 1.00 0.00 N ATOM 0 H LYS A 334 -5.844 -18.556 -5.632 1.00 0.00 H new ATOM 0 HA LYS A 334 -6.747 -20.292 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -8.653 -18.677 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -8.657 -19.565 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -9.681 -21.377 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -8.738 -21.302 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -10.671 -19.070 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -11.403 -20.653 -3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -9.202 -20.079 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -10.622 -19.069 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -10.785 -21.061 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -11.991 -21.067 -1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -10.615 -22.046 -1.437 1.00 0.00 H new ATOM 710 N GLY A 335 -6.487 -20.666 -6.751 1.00 0.00 N ATOM 711 CA GLY A 335 -6.090 -21.618 -7.770 1.00 0.00 C ATOM 712 C GLY A 335 -5.801 -20.955 -9.102 1.00 0.00 C ATOM 713 O GLY A 335 -6.270 -19.817 -9.313 1.00 0.00 O ATOM 714 OXT GLY A 335 -5.104 -21.573 -9.935 1.00 0.00 O ATOM 0 H GLY A 335 -6.748 -19.745 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -5.203 -22.155 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -6.880 -22.357 -7.900 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.418 3.073 0.760 1.00 0.00 ZN