USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=9 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= -1.69! C(o=-1.7!,f=-2.4!) USER MOD Set 1.2: A 320 ASN : amide:sc= -0.0426 X(o=-1.7,f=-1.7) USER MOD Set 2.1: A 304 LYS NZ :NH3+ 152:sc= -0.0112 (180deg=0) USER MOD Set 2.2: A 309 ASN : amide:sc= -0.0133 X(o=-0.025,f=-0.18) USER MOD Single : A 290 SER OG : rot -53:sc= 0.0464 USER MOD Single : A 298 SER OG : rot -123:sc= 0.633 USER MOD Single : A 302 TYR OH : rot 165:sc= -0.856 USER MOD Single : A 306 THR OG1 : rot 180:sc= 0.0415 USER MOD Single : A 307 SER OG : rot 124:sc= 0.318 USER MOD Single : A 311 MET CE :methyl 156:sc= -2.16! (180deg=-2.88!) USER MOD Single : A 317 SER OG : rot -45:sc= 0.413 USER MOD Single : A 318 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-3!) USER MOD Single : A 328 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 334 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 21.090 -2.522 -1.179 1.00 0.00 N ATOM 2 CA SER A 290 20.941 -3.920 -0.697 1.00 0.00 C ATOM 3 C SER A 290 22.170 -4.369 0.087 1.00 0.00 C ATOM 4 O SER A 290 22.542 -5.541 0.057 1.00 0.00 O ATOM 5 CB SER A 290 20.725 -4.832 -1.905 1.00 0.00 C ATOM 6 OG SER A 290 20.118 -6.054 -1.521 1.00 0.00 O ATOM 0 HA SER A 290 20.085 -3.976 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 290 20.098 -4.326 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 290 21.681 -5.034 -2.388 1.00 0.00 H new ATOM 0 HG SER A 290 20.635 -6.462 -0.795 1.00 0.00 H new ATOM 14 N PHE A 291 22.797 -3.428 0.786 1.00 0.00 N ATOM 15 CA PHE A 291 23.985 -3.729 1.577 1.00 0.00 C ATOM 16 C PHE A 291 23.650 -3.791 3.063 1.00 0.00 C ATOM 17 O PHE A 291 23.515 -4.873 3.635 1.00 0.00 O ATOM 18 CB PHE A 291 25.069 -2.679 1.327 1.00 0.00 C ATOM 19 CG PHE A 291 25.868 -2.926 0.078 1.00 0.00 C ATOM 20 CD1 PHE A 291 25.401 -2.501 -1.154 1.00 0.00 C ATOM 21 CD2 PHE A 291 27.086 -3.586 0.139 1.00 0.00 C ATOM 22 CE1 PHE A 291 26.133 -2.727 -2.304 1.00 0.00 C ATOM 23 CE2 PHE A 291 27.822 -3.815 -1.008 1.00 0.00 C ATOM 24 CZ PHE A 291 27.345 -3.385 -2.231 1.00 0.00 C ATOM 0 H PHE A 291 22.503 -2.452 0.821 1.00 0.00 H new ATOM 0 HA PHE A 291 24.358 -4.706 1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 291 24.603 -1.696 1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 291 25.745 -2.655 2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 291 24.453 -1.987 -1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 291 27.463 -3.925 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 291 25.758 -2.389 -3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 291 28.770 -4.330 -0.948 1.00 0.00 H new ATOM 0 HZ PHE A 291 27.919 -3.563 -3.128 1.00 0.00 H new ATOM 34 N GLU A 292 23.519 -2.625 3.682 1.00 0.00 N ATOM 35 CA GLU A 292 23.200 -2.543 5.103 1.00 0.00 C ATOM 36 C GLU A 292 22.019 -1.607 5.343 1.00 0.00 C ATOM 37 O GLU A 292 22.186 -0.496 5.846 1.00 0.00 O ATOM 38 CB GLU A 292 24.418 -2.060 5.892 1.00 0.00 C ATOM 39 CG GLU A 292 25.704 -2.788 5.536 1.00 0.00 C ATOM 40 CD GLU A 292 26.143 -3.759 6.613 1.00 0.00 C ATOM 41 OE1 GLU A 292 26.585 -3.295 7.686 1.00 0.00 O ATOM 42 OE2 GLU A 292 26.045 -4.983 6.387 1.00 0.00 O ATOM 0 H GLU A 292 23.629 -1.721 3.222 1.00 0.00 H new ATOM 0 HA GLU A 292 22.925 -3.540 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 292 24.554 -0.993 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 292 24.223 -2.185 6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 292 25.563 -3.329 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 292 26.495 -2.058 5.366 1.00 0.00 H new ATOM 49 N GLU A 293 20.823 -2.066 4.983 1.00 0.00 N ATOM 50 CA GLU A 293 19.616 -1.273 5.161 1.00 0.00 C ATOM 51 C GLU A 293 18.380 -2.165 5.210 1.00 0.00 C ATOM 52 O GLU A 293 17.637 -2.267 4.234 1.00 0.00 O ATOM 53 CB GLU A 293 19.476 -0.251 4.032 1.00 0.00 C ATOM 54 CG GLU A 293 20.705 0.624 3.842 1.00 0.00 C ATOM 55 CD GLU A 293 20.484 1.725 2.824 1.00 0.00 C ATOM 56 OE1 GLU A 293 20.309 1.403 1.630 1.00 0.00 O ATOM 57 OE2 GLU A 293 20.487 2.909 3.220 1.00 0.00 O ATOM 0 H GLU A 293 20.667 -2.984 4.566 1.00 0.00 H new ATOM 0 HA GLU A 293 19.699 -0.744 6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 293 19.269 -0.778 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 293 18.615 0.386 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 293 20.982 1.068 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 293 21.543 0.003 3.525 1.00 0.00 H new ATOM 64 N ASP A 294 18.164 -2.810 6.352 1.00 0.00 N ATOM 65 CA ASP A 294 17.014 -3.693 6.525 1.00 0.00 C ATOM 66 C ASP A 294 15.808 -2.922 7.057 1.00 0.00 C ATOM 67 O ASP A 294 14.720 -2.987 6.484 1.00 0.00 O ATOM 68 CB ASP A 294 17.365 -4.845 7.471 1.00 0.00 C ATOM 69 CG ASP A 294 17.534 -6.161 6.739 1.00 0.00 C ATOM 70 OD1 ASP A 294 16.522 -6.866 6.542 1.00 0.00 O ATOM 71 OD2 ASP A 294 18.679 -6.489 6.363 1.00 0.00 O ATOM 0 H ASP A 294 18.768 -2.739 7.170 1.00 0.00 H new ATOM 0 HA ASP A 294 16.753 -4.104 5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 294 18.286 -4.607 8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 294 16.581 -4.947 8.221 1.00 0.00 H new ATOM 76 N PRO A 295 15.980 -2.179 8.167 1.00 0.00 N ATOM 77 CA PRO A 295 14.894 -1.398 8.769 1.00 0.00 C ATOM 78 C PRO A 295 14.350 -0.337 7.820 1.00 0.00 C ATOM 79 O PRO A 295 13.188 -0.384 7.416 1.00 0.00 O ATOM 80 CB PRO A 295 15.548 -0.736 9.990 1.00 0.00 C ATOM 81 CG PRO A 295 16.777 -1.535 10.255 1.00 0.00 C ATOM 82 CD PRO A 295 17.238 -2.040 8.919 1.00 0.00 C ATOM 0 HA PRO A 295 14.039 -2.026 9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 295 15.792 0.307 9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 295 14.878 -0.747 10.850 1.00 0.00 H new ATOM 0 HG2 PRO A 295 17.546 -0.923 10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 295 16.566 -2.362 10.933 1.00 0.00 H new ATOM 0 HD2 PRO A 295 17.921 -1.341 8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 295 17.764 -2.991 9.006 1.00 0.00 H new ATOM 90 N GLU A 296 15.201 0.618 7.473 1.00 0.00 N ATOM 91 CA GLU A 296 14.816 1.699 6.572 1.00 0.00 C ATOM 92 C GLU A 296 14.464 1.157 5.190 1.00 0.00 C ATOM 93 O GLU A 296 15.348 0.855 4.387 1.00 0.00 O ATOM 94 CB GLU A 296 15.946 2.724 6.460 1.00 0.00 C ATOM 95 CG GLU A 296 15.907 3.792 7.543 1.00 0.00 C ATOM 96 CD GLU A 296 16.300 5.162 7.024 1.00 0.00 C ATOM 97 OE1 GLU A 296 15.948 5.483 5.869 1.00 0.00 O ATOM 98 OE2 GLU A 296 16.960 5.914 7.772 1.00 0.00 O ATOM 0 H GLU A 296 16.165 0.668 7.802 1.00 0.00 H new ATOM 0 HA GLU A 296 13.933 2.186 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 296 16.903 2.204 6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 296 15.893 3.206 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 296 14.903 3.841 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 296 16.579 3.508 8.353 1.00 0.00 H new ATOM 105 N ILE A 297 13.169 1.037 4.919 1.00 0.00 N ATOM 106 CA ILE A 297 12.697 0.533 3.635 1.00 0.00 C ATOM 107 C ILE A 297 12.694 1.640 2.583 1.00 0.00 C ATOM 108 O ILE A 297 12.645 2.825 2.913 1.00 0.00 O ATOM 109 CB ILE A 297 11.282 -0.088 3.768 1.00 0.00 C ATOM 110 CG1 ILE A 297 11.394 -1.596 3.991 1.00 0.00 C ATOM 111 CG2 ILE A 297 10.419 0.198 2.543 1.00 0.00 C ATOM 112 CD1 ILE A 297 10.079 -2.252 4.357 1.00 0.00 C ATOM 0 H ILE A 297 12.426 1.283 5.573 1.00 0.00 H new ATOM 0 HA ILE A 297 13.385 -0.248 3.312 1.00 0.00 H new ATOM 0 HB ILE A 297 10.796 0.373 4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 297 11.783 -2.061 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 297 12.118 -1.785 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.436 -0.254 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.309 1.275 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.894 -0.222 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 297 10.233 -3.321 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 297 9.698 -1.814 5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 297 9.358 -2.094 3.555 1.00 0.00 H new ATOM 124 N SER A 298 12.745 1.242 1.316 1.00 0.00 N ATOM 125 CA SER A 298 12.747 2.196 0.214 1.00 0.00 C ATOM 126 C SER A 298 11.333 2.683 -0.088 1.00 0.00 C ATOM 127 O SER A 298 10.356 1.977 0.160 1.00 0.00 O ATOM 128 CB SER A 298 13.357 1.561 -1.038 1.00 0.00 C ATOM 129 OG SER A 298 12.423 0.717 -1.689 1.00 0.00 O ATOM 0 H SER A 298 12.786 0.265 1.027 1.00 0.00 H new ATOM 0 HA SER A 298 13.352 3.053 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 298 13.685 2.343 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 298 14.242 0.986 -0.764 1.00 0.00 H new ATOM 0 HG SER A 298 12.798 -0.184 -1.771 1.00 0.00 H new ATOM 135 N LEU A 299 11.232 3.896 -0.623 1.00 0.00 N ATOM 136 CA LEU A 299 9.938 4.479 -0.959 1.00 0.00 C ATOM 137 C LEU A 299 9.480 4.036 -2.345 1.00 0.00 C ATOM 138 O LEU A 299 8.282 3.958 -2.620 1.00 0.00 O ATOM 139 CB LEU A 299 10.012 6.008 -0.895 1.00 0.00 C ATOM 140 CG LEU A 299 8.914 6.674 -0.065 1.00 0.00 C ATOM 141 CD1 LEU A 299 9.366 6.846 1.377 1.00 0.00 C ATOM 142 CD2 LEU A 299 8.530 8.018 -0.669 1.00 0.00 C ATOM 0 H LEU A 299 12.031 4.494 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 299 9.209 4.126 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.981 6.293 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 299 9.968 6.402 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 299 8.035 6.029 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 299 8.572 7.322 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 299 9.591 5.870 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 299 10.259 7.470 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 299 7.747 8.478 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 299 9.403 8.670 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 299 8.164 7.869 -1.685 1.00 0.00 H new ATOM 154 N ALA A 300 10.440 3.752 -3.215 1.00 0.00 N ATOM 155 CA ALA A 300 10.141 3.324 -4.577 1.00 0.00 C ATOM 156 C ALA A 300 9.406 1.987 -4.595 1.00 0.00 C ATOM 157 O ALA A 300 8.623 1.711 -5.504 1.00 0.00 O ATOM 158 CB ALA A 300 11.421 3.232 -5.392 1.00 0.00 C ATOM 0 H ALA A 300 11.436 3.810 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 300 9.485 4.071 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.184 2.912 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 300 11.903 4.209 -5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.095 2.509 -4.931 1.00 0.00 H new ATOM 164 N ASP A 301 9.665 1.159 -3.589 1.00 0.00 N ATOM 165 CA ASP A 301 9.030 -0.152 -3.495 1.00 0.00 C ATOM 166 C ASP A 301 7.570 -0.039 -3.059 1.00 0.00 C ATOM 167 O ASP A 301 6.828 -1.020 -3.100 1.00 0.00 O ATOM 168 CB ASP A 301 9.798 -1.039 -2.513 1.00 0.00 C ATOM 169 CG ASP A 301 10.971 -1.743 -3.166 1.00 0.00 C ATOM 170 OD1 ASP A 301 10.819 -2.210 -4.314 1.00 0.00 O ATOM 171 OD2 ASP A 301 12.042 -1.828 -2.529 1.00 0.00 O ATOM 0 H ASP A 301 10.309 1.371 -2.827 1.00 0.00 H new ATOM 0 HA ASP A 301 9.051 -0.603 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.159 -0.431 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.120 -1.782 -2.092 1.00 0.00 H new ATOM 176 N TYR A 302 7.161 1.153 -2.632 1.00 0.00 N ATOM 177 CA TYR A 302 5.794 1.376 -2.182 1.00 0.00 C ATOM 178 C TYR A 302 4.779 0.962 -3.243 1.00 0.00 C ATOM 179 O TYR A 302 5.137 0.710 -4.394 1.00 0.00 O ATOM 180 CB TYR A 302 5.598 2.844 -1.819 1.00 0.00 C ATOM 181 CG TYR A 302 6.111 3.168 -0.442 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.292 2.606 0.013 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.416 4.017 0.407 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.773 2.878 1.269 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.891 4.298 1.672 1.00 0.00 C ATOM 186 CZ TYR A 302 7.071 3.726 2.100 1.00 0.00 C ATOM 187 OH TYR A 302 7.551 4.001 3.360 1.00 0.00 O ATOM 0 H TYR A 302 7.759 1.978 -2.589 1.00 0.00 H new ATOM 0 HA TYR A 302 5.627 0.757 -1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.111 3.468 -2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.538 3.091 -1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.845 1.941 -0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.491 4.464 0.074 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.697 2.430 1.605 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.342 4.962 2.323 1.00 0.00 H new ATOM 0 HH TYR A 302 7.086 4.783 3.724 1.00 0.00 H new ATOM 197 N TRP A 303 3.512 0.900 -2.848 1.00 0.00 N ATOM 198 CA TRP A 303 2.442 0.524 -3.765 1.00 0.00 C ATOM 199 C TRP A 303 1.278 1.505 -3.667 1.00 0.00 C ATOM 200 O TRP A 303 1.146 2.229 -2.679 1.00 0.00 O ATOM 201 CB TRP A 303 1.957 -0.895 -3.464 1.00 0.00 C ATOM 202 CG TRP A 303 1.611 -1.111 -2.023 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.482 -1.342 -0.996 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.301 -1.114 -1.446 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.793 -1.487 0.182 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.452 -1.352 -0.067 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.986 -0.939 -1.961 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.634 -1.418 0.800 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.064 -1.005 -1.098 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.882 -1.242 0.270 1.00 0.00 C ATOM 0 H TRP A 303 3.201 1.105 -1.899 1.00 0.00 H new ATOM 0 HA TRP A 303 2.837 0.555 -4.780 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.081 -1.110 -4.077 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.731 -1.605 -3.755 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.556 -1.402 -1.097 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.211 -1.666 1.095 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -1.136 -0.755 -3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.496 -1.602 1.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.063 -0.872 -1.485 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.744 -1.287 0.919 1.00 0.00 H new ATOM 221 N LYS A 304 0.441 1.530 -4.698 1.00 0.00 N ATOM 222 CA LYS A 304 -0.708 2.428 -4.726 1.00 0.00 C ATOM 223 C LYS A 304 -1.993 1.688 -4.367 1.00 0.00 C ATOM 224 O LYS A 304 -2.326 0.673 -4.978 1.00 0.00 O ATOM 225 CB LYS A 304 -0.845 3.070 -6.108 1.00 0.00 C ATOM 226 CG LYS A 304 -1.504 4.439 -6.081 1.00 0.00 C ATOM 227 CD LYS A 304 -0.571 5.494 -5.509 1.00 0.00 C ATOM 228 CE LYS A 304 0.149 6.259 -6.608 1.00 0.00 C ATOM 229 NZ LYS A 304 -0.463 7.595 -6.849 1.00 0.00 N ATOM 0 H LYS A 304 0.536 0.940 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.543 3.208 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.144 3.161 -6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -1.427 2.409 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -1.799 4.722 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.415 4.394 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.141 6.190 -4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 304 0.161 5.018 -4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 304 1.197 6.384 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 304 0.126 5.678 -7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 0.261 8.249 -7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 -1.228 7.505 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -0.850 7.965 -5.958 1.00 0.00 H new ATOM 243 N CYS A 305 -2.715 2.204 -3.374 1.00 0.00 N ATOM 244 CA CYS A 305 -3.965 1.588 -2.944 1.00 0.00 C ATOM 245 C CYS A 305 -4.970 1.549 -4.092 1.00 0.00 C ATOM 246 O CYS A 305 -5.232 2.564 -4.738 1.00 0.00 O ATOM 247 CB CYS A 305 -4.551 2.344 -1.751 1.00 0.00 C ATOM 248 SG CYS A 305 -5.704 1.368 -0.760 1.00 0.00 S ATOM 0 H CYS A 305 -2.456 3.043 -2.855 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.753 0.564 -2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.735 2.683 -1.112 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -5.063 3.235 -2.114 1.00 0.00 H new ATOM 254 N THR A 306 -5.518 0.365 -4.349 1.00 0.00 N ATOM 255 CA THR A 306 -6.478 0.176 -5.434 1.00 0.00 C ATOM 256 C THR A 306 -7.843 0.797 -5.129 1.00 0.00 C ATOM 257 O THR A 306 -8.755 0.714 -5.952 1.00 0.00 O ATOM 258 CB THR A 306 -6.647 -1.314 -5.727 1.00 0.00 C ATOM 259 OG1 THR A 306 -6.689 -2.061 -4.524 1.00 0.00 O ATOM 260 CG2 THR A 306 -5.539 -1.886 -6.584 1.00 0.00 C ATOM 0 H THR A 306 -5.313 -0.482 -3.819 1.00 0.00 H new ATOM 0 HA THR A 306 -6.076 0.689 -6.308 1.00 0.00 H new ATOM 0 HB THR A 306 -7.586 -1.395 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 306 -6.799 -3.012 -4.733 1.00 0.00 H new ATOM 0 HG21 THR A 306 -5.721 -2.947 -6.753 1.00 0.00 H new ATOM 0 HG22 THR A 306 -5.513 -1.365 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 306 -4.583 -1.759 -6.076 1.00 0.00 H new ATOM 268 N SER A 307 -7.995 1.413 -3.960 1.00 0.00 N ATOM 269 CA SER A 307 -9.265 2.027 -3.596 1.00 0.00 C ATOM 270 C SER A 307 -9.106 3.523 -3.382 1.00 0.00 C ATOM 271 O SER A 307 -9.788 4.331 -4.011 1.00 0.00 O ATOM 272 CB SER A 307 -9.829 1.375 -2.332 1.00 0.00 C ATOM 273 OG SER A 307 -8.819 1.208 -1.351 1.00 0.00 O ATOM 0 H SER A 307 -7.262 1.499 -3.256 1.00 0.00 H new ATOM 0 HA SER A 307 -9.962 1.870 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 307 -10.634 1.990 -1.929 1.00 0.00 H new ATOM 0 HB3 SER A 307 -10.263 0.406 -2.581 1.00 0.00 H new ATOM 0 HG SER A 307 -9.096 1.645 -0.519 1.00 0.00 H new ATOM 279 N CYS A 308 -8.209 3.883 -2.478 1.00 0.00 N ATOM 280 CA CYS A 308 -7.961 5.281 -2.158 1.00 0.00 C ATOM 281 C CYS A 308 -6.764 5.843 -2.930 1.00 0.00 C ATOM 282 O CYS A 308 -6.566 7.057 -2.973 1.00 0.00 O ATOM 283 CB CYS A 308 -7.744 5.425 -0.653 1.00 0.00 C ATOM 284 SG CYS A 308 -6.124 4.871 -0.075 1.00 0.00 S ATOM 0 H CYS A 308 -7.638 3.223 -1.950 1.00 0.00 H new ATOM 0 HA CYS A 308 -8.834 5.859 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -7.876 6.471 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.515 4.859 -0.131 1.00 0.00 H new ATOM 290 N ASN A 309 -5.968 4.965 -3.536 1.00 0.00 N ATOM 291 CA ASN A 309 -4.800 5.398 -4.297 1.00 0.00 C ATOM 292 C ASN A 309 -3.810 6.152 -3.409 1.00 0.00 C ATOM 293 O ASN A 309 -3.530 7.329 -3.634 1.00 0.00 O ATOM 294 CB ASN A 309 -5.231 6.281 -5.470 1.00 0.00 C ATOM 295 CG ASN A 309 -4.404 6.029 -6.716 1.00 0.00 C ATOM 296 OD1 ASN A 309 -4.395 4.924 -7.256 1.00 0.00 O ATOM 297 ND2 ASN A 309 -3.704 7.059 -7.180 1.00 0.00 N ATOM 0 H ASN A 309 -6.110 3.955 -3.515 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.301 4.509 -4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.282 6.099 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -5.143 7.329 -5.184 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -3.130 6.950 -8.016 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -3.741 7.958 -6.700 1.00 0.00 H new ATOM 304 N GLU A 310 -3.279 5.463 -2.402 1.00 0.00 N ATOM 305 CA GLU A 310 -2.315 6.065 -1.487 1.00 0.00 C ATOM 306 C GLU A 310 -0.973 5.349 -1.568 1.00 0.00 C ATOM 307 O GLU A 310 -0.879 4.244 -2.104 1.00 0.00 O ATOM 308 CB GLU A 310 -2.836 6.016 -0.048 1.00 0.00 C ATOM 309 CG GLU A 310 -2.138 6.988 0.890 1.00 0.00 C ATOM 310 CD GLU A 310 -2.107 8.404 0.349 1.00 0.00 C ATOM 311 OE1 GLU A 310 -3.177 8.911 -0.048 1.00 0.00 O ATOM 312 OE2 GLU A 310 -1.013 9.006 0.324 1.00 0.00 O ATOM 0 H GLU A 310 -3.500 4.488 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.179 7.105 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -3.904 6.232 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.716 5.004 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.645 6.983 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.117 6.648 1.065 1.00 0.00 H new ATOM 319 N MET A 311 0.060 5.982 -1.025 1.00 0.00 N ATOM 320 CA MET A 311 1.399 5.406 -1.028 1.00 0.00 C ATOM 321 C MET A 311 1.650 4.627 0.258 1.00 0.00 C ATOM 322 O MET A 311 1.747 5.208 1.339 1.00 0.00 O ATOM 323 CB MET A 311 2.454 6.504 -1.187 1.00 0.00 C ATOM 324 CG MET A 311 2.456 7.152 -2.563 1.00 0.00 C ATOM 325 SD MET A 311 2.681 5.957 -3.895 1.00 0.00 S ATOM 326 CE MET A 311 4.300 5.303 -3.496 1.00 0.00 C ATOM 0 H MET A 311 -0.004 6.896 -0.576 1.00 0.00 H new ATOM 0 HA MET A 311 1.473 4.721 -1.873 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.283 7.272 -0.433 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.439 6.080 -0.993 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.516 7.683 -2.712 1.00 0.00 H new ATOM 0 HG3 MET A 311 3.252 7.895 -2.609 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.406 4.307 -3.926 1.00 0.00 H new ATOM 0 HE2 MET A 311 5.068 5.959 -3.905 1.00 0.00 H new ATOM 0 HE3 MET A 311 4.412 5.245 -2.413 1.00 0.00 H new ATOM 336 N ASN A 312 1.743 3.308 0.135 1.00 0.00 N ATOM 337 CA ASN A 312 1.970 2.450 1.290 1.00 0.00 C ATOM 338 C ASN A 312 3.240 1.618 1.121 1.00 0.00 C ATOM 339 O ASN A 312 3.497 1.080 0.044 1.00 0.00 O ATOM 340 CB ASN A 312 0.773 1.523 1.493 1.00 0.00 C ATOM 341 CG ASN A 312 -0.473 2.273 1.913 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.575 2.749 3.043 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.430 2.382 0.999 1.00 0.00 N ATOM 0 H ASN A 312 1.665 2.811 -0.752 1.00 0.00 H new ATOM 0 HA ASN A 312 2.093 3.088 2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.574 0.983 0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.018 0.778 2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -2.294 2.877 1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -1.301 1.971 0.074 1.00 0.00 H new ATOM 350 N PRO A 313 4.051 1.489 2.188 1.00 0.00 N ATOM 351 CA PRO A 313 5.287 0.706 2.140 1.00 0.00 C ATOM 352 C PRO A 313 5.010 -0.769 1.866 1.00 0.00 C ATOM 353 O PRO A 313 3.904 -1.254 2.102 1.00 0.00 O ATOM 354 CB PRO A 313 5.901 0.881 3.535 1.00 0.00 C ATOM 355 CG PRO A 313 5.177 2.025 4.162 1.00 0.00 C ATOM 356 CD PRO A 313 3.823 2.085 3.514 1.00 0.00 C ATOM 0 HA PRO A 313 5.945 1.040 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 313 5.786 -0.026 4.129 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.970 1.085 3.468 1.00 0.00 H new ATOM 0 HG2 PRO A 313 5.085 1.882 5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 313 5.721 2.957 4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 313 3.080 1.526 4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.460 3.110 3.437 1.00 0.00 H new ATOM 364 N PRO A 314 6.016 -1.507 1.368 1.00 0.00 N ATOM 365 CA PRO A 314 5.874 -2.934 1.070 1.00 0.00 C ATOM 366 C PRO A 314 5.370 -3.722 2.275 1.00 0.00 C ATOM 367 O PRO A 314 4.680 -4.730 2.125 1.00 0.00 O ATOM 368 CB PRO A 314 7.296 -3.377 0.693 1.00 0.00 C ATOM 369 CG PRO A 314 8.192 -2.267 1.133 1.00 0.00 C ATOM 370 CD PRO A 314 7.366 -1.016 1.064 1.00 0.00 C ATOM 0 HA PRO A 314 5.144 -3.113 0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.559 -4.312 1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.382 -3.548 -0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.557 -2.438 2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 314 9.067 -2.193 0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.698 -0.270 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.416 -0.551 0.080 1.00 0.00 H new ATOM 378 N LEU A 315 5.719 -3.252 3.468 1.00 0.00 N ATOM 379 CA LEU A 315 5.302 -3.907 4.703 1.00 0.00 C ATOM 380 C LEU A 315 4.888 -2.871 5.750 1.00 0.00 C ATOM 381 O LEU A 315 5.676 -1.994 6.102 1.00 0.00 O ATOM 382 CB LEU A 315 6.438 -4.777 5.248 1.00 0.00 C ATOM 383 CG LEU A 315 6.186 -6.284 5.184 1.00 0.00 C ATOM 384 CD1 LEU A 315 7.407 -7.052 5.665 1.00 0.00 C ATOM 385 CD2 LEU A 315 4.962 -6.654 6.008 1.00 0.00 C ATOM 0 H LEU A 315 6.291 -2.419 3.606 1.00 0.00 H new ATOM 0 HA LEU A 315 4.443 -4.540 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 315 7.347 -4.552 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.623 -4.499 6.285 1.00 0.00 H new ATOM 0 HG LEU A 315 5.998 -6.558 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 315 7.208 -8.122 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 315 8.261 -6.810 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 315 7.628 -6.775 6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 315 4.797 -7.730 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 315 5.122 -6.365 7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 315 4.089 -6.132 5.617 1.00 0.00 H new ATOM 397 N PRO A 316 3.644 -2.947 6.267 1.00 0.00 N ATOM 398 CA PRO A 316 2.659 -3.969 5.887 1.00 0.00 C ATOM 399 C PRO A 316 2.139 -3.770 4.467 1.00 0.00 C ATOM 400 O PRO A 316 2.261 -2.685 3.898 1.00 0.00 O ATOM 401 CB PRO A 316 1.519 -3.785 6.901 1.00 0.00 C ATOM 402 CG PRO A 316 2.063 -2.876 7.954 1.00 0.00 C ATOM 403 CD PRO A 316 3.099 -2.033 7.275 1.00 0.00 C ATOM 0 HA PRO A 316 3.095 -4.968 5.900 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.638 -3.353 6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.215 -4.741 7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.274 -2.257 8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.500 -3.446 8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 316 2.664 -1.142 6.822 1.00 0.00 H new ATOM 0 HD3 PRO A 316 3.866 -1.694 7.971 1.00 0.00 H new ATOM 411 N SER A 317 1.561 -4.823 3.900 1.00 0.00 N ATOM 412 CA SER A 317 1.026 -4.762 2.545 1.00 0.00 C ATOM 413 C SER A 317 -0.446 -4.351 2.551 1.00 0.00 C ATOM 414 O SER A 317 -1.268 -4.942 1.850 1.00 0.00 O ATOM 415 CB SER A 317 1.188 -6.115 1.850 1.00 0.00 C ATOM 416 OG SER A 317 2.409 -6.734 2.217 1.00 0.00 O ATOM 0 H SER A 317 1.451 -5.728 4.357 1.00 0.00 H new ATOM 0 HA SER A 317 1.589 -4.007 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 317 0.354 -6.765 2.114 1.00 0.00 H new ATOM 0 HB3 SER A 317 1.156 -5.978 0.769 1.00 0.00 H new ATOM 0 HG SER A 317 3.134 -6.075 2.181 1.00 0.00 H new ATOM 422 N HIS A 318 -0.772 -3.329 3.339 1.00 0.00 N ATOM 423 CA HIS A 318 -2.145 -2.841 3.424 1.00 0.00 C ATOM 424 C HIS A 318 -2.173 -1.347 3.739 1.00 0.00 C ATOM 425 O HIS A 318 -1.325 -0.840 4.472 1.00 0.00 O ATOM 426 CB HIS A 318 -2.927 -3.621 4.484 1.00 0.00 C ATOM 427 CG HIS A 318 -2.458 -3.377 5.885 1.00 0.00 C ATOM 428 ND1 HIS A 318 -1.602 -4.228 6.554 1.00 0.00 N ATOM 429 CD2 HIS A 318 -2.734 -2.371 6.749 1.00 0.00 C ATOM 430 CE1 HIS A 318 -1.373 -3.757 7.766 1.00 0.00 C ATOM 431 NE2 HIS A 318 -2.048 -2.631 7.909 1.00 0.00 N ATOM 0 H HIS A 318 -0.107 -2.825 3.925 1.00 0.00 H new ATOM 0 HA HIS A 318 -2.619 -2.996 2.455 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -3.982 -3.355 4.413 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -2.852 -4.686 4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -3.375 -1.522 6.560 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -0.741 -4.215 8.513 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -2.058 -2.049 8.746 1.00 0.00 H new ATOM 440 N CYS A 319 -3.152 -0.646 3.171 1.00 0.00 N ATOM 441 CA CYS A 319 -3.288 0.791 3.385 1.00 0.00 C ATOM 442 C CYS A 319 -3.614 1.106 4.840 1.00 0.00 C ATOM 443 O CYS A 319 -4.670 0.729 5.348 1.00 0.00 O ATOM 444 CB CYS A 319 -4.373 1.364 2.474 1.00 0.00 C ATOM 445 SG CYS A 319 -4.519 3.163 2.559 1.00 0.00 S ATOM 0 H CYS A 319 -3.862 -1.050 2.560 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.332 1.255 3.141 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.161 1.074 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.331 0.918 2.740 1.00 0.00 H new ATOM 450 N ASN A 320 -2.701 1.805 5.504 1.00 0.00 N ATOM 451 CA ASN A 320 -2.888 2.175 6.904 1.00 0.00 C ATOM 452 C ASN A 320 -4.077 3.116 7.079 1.00 0.00 C ATOM 453 O ASN A 320 -4.576 3.297 8.189 1.00 0.00 O ATOM 454 CB ASN A 320 -1.618 2.833 7.449 1.00 0.00 C ATOM 455 CG ASN A 320 -0.445 1.874 7.499 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.200 1.227 8.516 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.288 1.778 6.395 1.00 0.00 N ATOM 0 H ASN A 320 -1.823 2.128 5.096 1.00 0.00 H new ATOM 0 HA ASN A 320 -3.094 1.263 7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -1.358 3.688 6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.812 3.217 8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 320 1.090 1.149 6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 320 0.048 2.334 5.574 1.00 0.00 H new ATOM 464 N ARG A 321 -4.524 3.719 5.981 1.00 0.00 N ATOM 465 CA ARG A 321 -5.649 4.646 6.023 1.00 0.00 C ATOM 466 C ARG A 321 -6.981 3.916 5.858 1.00 0.00 C ATOM 467 O ARG A 321 -7.700 3.691 6.832 1.00 0.00 O ATOM 468 CB ARG A 321 -5.498 5.708 4.932 1.00 0.00 C ATOM 469 CG ARG A 321 -4.868 7.001 5.422 1.00 0.00 C ATOM 470 CD ARG A 321 -4.816 8.048 4.321 1.00 0.00 C ATOM 471 NE ARG A 321 -4.443 9.364 4.833 1.00 0.00 N ATOM 472 CZ ARG A 321 -4.660 10.503 4.178 1.00 0.00 C ATOM 473 NH1 ARG A 321 -5.247 10.490 2.988 1.00 0.00 N ATOM 474 NH2 ARG A 321 -4.289 11.657 4.714 1.00 0.00 N ATOM 0 H ARG A 321 -4.124 3.582 5.053 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.647 5.128 7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -4.890 5.302 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.480 5.928 4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -5.438 7.388 6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -3.859 6.801 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -4.099 7.739 3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -5.789 8.111 3.835 1.00 0.00 H new ATOM 0 HE ARG A 321 -3.990 9.414 5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -5.534 9.605 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -5.411 11.365 2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -3.837 11.673 5.628 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -4.455 12.529 4.212 1.00 0.00 H new ATOM 488 N CYS A 322 -7.312 3.564 4.619 1.00 0.00 N ATOM 489 CA CYS A 322 -8.566 2.880 4.324 1.00 0.00 C ATOM 490 C CYS A 322 -8.487 1.383 4.634 1.00 0.00 C ATOM 491 O CYS A 322 -9.512 0.737 4.856 1.00 0.00 O ATOM 492 CB CYS A 322 -8.959 3.104 2.857 1.00 0.00 C ATOM 493 SG CYS A 322 -8.194 1.960 1.680 1.00 0.00 S ATOM 0 H CYS A 322 -6.728 3.742 3.802 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.334 3.306 4.970 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.042 3.022 2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -8.693 4.123 2.576 1.00 0.00 H new ATOM 498 N TRP A 323 -7.276 0.830 4.640 1.00 0.00 N ATOM 499 CA TRP A 323 -7.095 -0.592 4.916 1.00 0.00 C ATOM 500 C TRP A 323 -7.796 -1.440 3.857 1.00 0.00 C ATOM 501 O TRP A 323 -8.719 -2.195 4.159 1.00 0.00 O ATOM 502 CB TRP A 323 -7.631 -0.935 6.309 1.00 0.00 C ATOM 503 CG TRP A 323 -6.729 -1.845 7.084 1.00 0.00 C ATOM 504 CD1 TRP A 323 -5.764 -1.477 7.976 1.00 0.00 C ATOM 505 CD2 TRP A 323 -6.706 -3.277 7.036 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.143 -2.592 8.487 1.00 0.00 N ATOM 507 CE2 TRP A 323 -5.703 -3.709 7.925 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.436 -4.236 6.328 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.413 -5.056 8.123 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -7.147 -5.574 6.526 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.143 -5.972 7.418 1.00 0.00 C ATOM 0 H TRP A 323 -6.412 1.341 4.458 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.028 -0.815 4.885 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -7.776 -0.013 6.872 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.610 -1.404 6.209 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -5.523 -0.458 8.242 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -4.388 -2.588 9.173 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -8.212 -3.937 5.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -4.639 -5.366 8.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.704 -6.324 5.984 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -5.941 -7.025 7.552 1.00 0.00 H new ATOM 522 N ALA A 324 -7.349 -1.306 2.611 1.00 0.00 N ATOM 523 CA ALA A 324 -7.930 -2.059 1.506 1.00 0.00 C ATOM 524 C ALA A 324 -7.038 -3.227 1.090 1.00 0.00 C ATOM 525 O ALA A 324 -7.422 -4.042 0.251 1.00 0.00 O ATOM 526 CB ALA A 324 -8.181 -1.140 0.319 1.00 0.00 C ATOM 0 H ALA A 324 -6.587 -0.683 2.343 1.00 0.00 H new ATOM 0 HA ALA A 324 -8.879 -2.472 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -8.615 -1.714 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.870 -0.347 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -7.238 -0.700 -0.006 1.00 0.00 H new ATOM 532 N LEU A 325 -5.843 -3.304 1.675 1.00 0.00 N ATOM 533 CA LEU A 325 -4.905 -4.374 1.356 1.00 0.00 C ATOM 534 C LEU A 325 -4.469 -4.293 -0.103 1.00 0.00 C ATOM 535 O LEU A 325 -5.276 -4.008 -0.988 1.00 0.00 O ATOM 536 CB LEU A 325 -5.536 -5.742 1.641 1.00 0.00 C ATOM 537 CG LEU A 325 -4.614 -6.750 2.328 1.00 0.00 C ATOM 538 CD1 LEU A 325 -4.566 -6.491 3.826 1.00 0.00 C ATOM 539 CD2 LEU A 325 -5.074 -8.176 2.044 1.00 0.00 C ATOM 0 H LEU A 325 -5.504 -2.639 2.370 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.025 -4.253 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.418 -5.595 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -5.879 -6.170 0.699 1.00 0.00 H new ATOM 0 HG LEU A 325 -3.608 -6.628 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -3.905 -7.217 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -4.190 -5.485 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -5.568 -6.586 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -4.406 -8.880 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -6.088 -8.312 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -5.057 -8.357 0.969 1.00 0.00 H new ATOM 551 N ARG A 326 -3.186 -4.546 -0.350 1.00 0.00 N ATOM 552 CA ARG A 326 -2.643 -4.502 -1.704 1.00 0.00 C ATOM 553 C ARG A 326 -3.490 -5.335 -2.662 1.00 0.00 C ATOM 554 O ARG A 326 -4.244 -6.211 -2.238 1.00 0.00 O ATOM 555 CB ARG A 326 -1.199 -5.007 -1.712 1.00 0.00 C ATOM 556 CG ARG A 326 -0.326 -4.335 -2.760 1.00 0.00 C ATOM 557 CD ARG A 326 1.131 -4.747 -2.623 1.00 0.00 C ATOM 558 NE ARG A 326 1.593 -5.505 -3.783 1.00 0.00 N ATOM 559 CZ ARG A 326 2.872 -5.633 -4.126 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.824 -5.063 -3.396 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.203 -6.336 -5.201 1.00 0.00 N ATOM 0 H ARG A 326 -2.504 -4.783 0.370 1.00 0.00 H new ATOM 0 HA ARG A 326 -2.662 -3.466 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -0.761 -4.845 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -1.200 -6.083 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -0.686 -4.595 -3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -0.409 -3.252 -2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 326 1.750 -3.858 -2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 326 1.255 -5.349 -1.723 1.00 0.00 H new ATOM 0 HE ARG A 326 0.893 -5.964 -4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 326 3.576 -4.523 -2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.803 -5.165 -3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 326 2.477 -6.778 -5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.184 -6.434 -5.464 1.00 0.00 H new ATOM 575 N GLU A 327 -3.361 -5.057 -3.954 1.00 0.00 N ATOM 576 CA GLU A 327 -4.116 -5.782 -4.968 1.00 0.00 C ATOM 577 C GLU A 327 -3.592 -7.206 -5.121 1.00 0.00 C ATOM 578 O GLU A 327 -4.331 -8.111 -5.509 1.00 0.00 O ATOM 579 CB GLU A 327 -4.042 -5.051 -6.309 1.00 0.00 C ATOM 580 CG GLU A 327 -4.963 -5.630 -7.370 1.00 0.00 C ATOM 581 CD GLU A 327 -4.204 -6.236 -8.535 1.00 0.00 C ATOM 582 OE1 GLU A 327 -3.242 -5.598 -9.013 1.00 0.00 O ATOM 583 OE2 GLU A 327 -4.571 -7.348 -8.968 1.00 0.00 O ATOM 0 H GLU A 327 -2.742 -4.336 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 327 -5.156 -5.830 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.293 -4.002 -6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -3.016 -5.083 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -5.597 -6.393 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -5.623 -4.845 -7.740 1.00 0.00 H new ATOM 590 N ASN A 328 -2.314 -7.398 -4.815 1.00 0.00 N ATOM 591 CA ASN A 328 -1.696 -8.712 -4.918 1.00 0.00 C ATOM 592 C ASN A 328 -0.601 -8.882 -3.872 1.00 0.00 C ATOM 593 O ASN A 328 0.386 -8.147 -3.865 1.00 0.00 O ATOM 594 CB ASN A 328 -1.117 -8.918 -6.320 1.00 0.00 C ATOM 595 CG ASN A 328 -1.390 -10.307 -6.860 1.00 0.00 C ATOM 596 OD1 ASN A 328 -0.780 -11.285 -6.426 1.00 0.00 O ATOM 597 ND2 ASN A 328 -2.311 -10.402 -7.812 1.00 0.00 N ATOM 0 H ASN A 328 -1.687 -6.660 -4.494 1.00 0.00 H new ATOM 0 HA ASN A 328 -2.465 -9.463 -4.736 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -1.542 -8.178 -6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 328 -0.041 -8.746 -6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -2.538 -11.312 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 328 -2.792 -9.565 -8.142 1.00 0.00 H new ATOM 604 N TRP A 329 -0.779 -9.862 -2.992 1.00 0.00 N ATOM 605 CA TRP A 329 0.201 -10.133 -1.945 1.00 0.00 C ATOM 606 C TRP A 329 0.391 -11.638 -1.737 1.00 0.00 C ATOM 607 O TRP A 329 1.193 -12.270 -2.426 1.00 0.00 O ATOM 608 CB TRP A 329 -0.182 -9.459 -0.624 1.00 0.00 C ATOM 609 CG TRP A 329 -1.579 -8.935 -0.580 1.00 0.00 C ATOM 610 CD1 TRP A 329 -1.948 -7.691 -0.182 1.00 0.00 C ATOM 611 CD2 TRP A 329 -2.791 -9.622 -0.935 1.00 0.00 C ATOM 612 NE1 TRP A 329 -3.302 -7.556 -0.264 1.00 0.00 N ATOM 613 CE2 TRP A 329 -3.847 -8.721 -0.721 1.00 0.00 C ATOM 614 CE3 TRP A 329 -3.092 -10.902 -1.410 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -5.176 -9.054 -0.964 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -4.412 -11.232 -1.651 1.00 0.00 C ATOM 617 CH2 TRP A 329 -5.440 -10.312 -1.426 1.00 0.00 C ATOM 0 H TRP A 329 -1.590 -10.480 -2.982 1.00 0.00 H new ATOM 0 HA TRP A 329 1.148 -9.709 -2.279 1.00 0.00 H new ATOM 0 HB2 TRP A 329 -0.050 -10.176 0.187 1.00 0.00 H new ATOM 0 HB3 TRP A 329 0.508 -8.636 -0.437 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.268 -6.921 0.151 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -3.826 -6.715 -0.022 1.00 0.00 H new ATOM 0 HE3 TRP A 329 -2.306 -11.621 -1.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -5.971 -8.343 -0.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -4.654 -12.218 -2.020 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -6.462 -10.601 -1.621 1.00 0.00 H new ATOM 628 N LEU A 330 -0.350 -12.208 -0.786 1.00 0.00 N ATOM 629 CA LEU A 330 -0.263 -13.632 -0.490 1.00 0.00 C ATOM 630 C LEU A 330 -0.782 -14.466 -1.659 1.00 0.00 C ATOM 631 O LEU A 330 -1.633 -14.014 -2.425 1.00 0.00 O ATOM 632 CB LEU A 330 -1.047 -13.964 0.784 1.00 0.00 C ATOM 633 CG LEU A 330 -2.321 -13.142 0.988 1.00 0.00 C ATOM 634 CD1 LEU A 330 -3.474 -14.031 1.430 1.00 0.00 C ATOM 635 CD2 LEU A 330 -2.086 -12.026 1.998 1.00 0.00 C ATOM 0 H LEU A 330 -1.019 -11.700 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 330 0.787 -13.879 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 330 -1.313 -15.021 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 330 -0.394 -13.815 1.644 1.00 0.00 H new ATOM 0 HG LEU A 330 -2.588 -12.689 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -4.369 -13.424 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -3.663 -14.787 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -3.217 -14.519 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -3.005 -11.454 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -1.788 -12.457 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 330 -1.297 -11.368 1.636 1.00 0.00 H new ATOM 647 N PRO A 331 -0.271 -15.701 -1.813 1.00 0.00 N ATOM 648 CA PRO A 331 -0.686 -16.598 -2.898 1.00 0.00 C ATOM 649 C PRO A 331 -2.157 -16.989 -2.796 1.00 0.00 C ATOM 650 O PRO A 331 -2.742 -16.966 -1.714 1.00 0.00 O ATOM 651 CB PRO A 331 0.209 -17.829 -2.714 1.00 0.00 C ATOM 652 CG PRO A 331 0.651 -17.775 -1.292 1.00 0.00 C ATOM 653 CD PRO A 331 0.747 -16.317 -0.947 1.00 0.00 C ATOM 0 HA PRO A 331 -0.583 -16.125 -3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -0.337 -18.749 -2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 331 1.061 -17.803 -3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -0.061 -18.284 -0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 331 1.613 -18.271 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 331 0.540 -16.138 0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 331 1.742 -15.920 -1.149 1.00 0.00 H new ATOM 661 N GLU A 332 -2.748 -17.346 -3.932 1.00 0.00 N ATOM 662 CA GLU A 332 -4.151 -17.742 -3.972 1.00 0.00 C ATOM 663 C GLU A 332 -4.401 -18.954 -3.078 1.00 0.00 C ATOM 664 O GLU A 332 -3.925 -20.053 -3.360 1.00 0.00 O ATOM 665 CB GLU A 332 -4.572 -18.058 -5.408 1.00 0.00 C ATOM 666 CG GLU A 332 -4.845 -16.820 -6.247 1.00 0.00 C ATOM 667 CD GLU A 332 -4.674 -17.073 -7.732 1.00 0.00 C ATOM 668 OE1 GLU A 332 -4.959 -18.203 -8.178 1.00 0.00 O ATOM 669 OE2 GLU A 332 -4.255 -16.139 -8.448 1.00 0.00 O ATOM 0 H GLU A 332 -2.277 -17.369 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 332 -4.748 -16.910 -3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -3.789 -18.646 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -5.468 -18.678 -5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -5.860 -16.473 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -4.171 -16.021 -5.938 1.00 0.00 H new ATOM 676 N ASP A 333 -5.150 -18.743 -2.001 1.00 0.00 N ATOM 677 CA ASP A 333 -5.463 -19.818 -1.066 1.00 0.00 C ATOM 678 C ASP A 333 -6.963 -20.104 -1.049 1.00 0.00 C ATOM 679 O ASP A 333 -7.624 -19.951 -0.022 1.00 0.00 O ATOM 680 CB ASP A 333 -4.981 -19.455 0.341 1.00 0.00 C ATOM 681 CG ASP A 333 -5.399 -18.056 0.752 1.00 0.00 C ATOM 682 OD1 ASP A 333 -4.920 -17.086 0.127 1.00 0.00 O ATOM 683 OD2 ASP A 333 -6.203 -17.931 1.699 1.00 0.00 O ATOM 0 H ASP A 333 -5.551 -17.838 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 333 -4.945 -20.718 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -5.379 -20.175 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -3.895 -19.533 0.382 1.00 0.00 H new ATOM 688 N LYS A 334 -7.491 -20.520 -2.194 1.00 0.00 N ATOM 689 CA LYS A 334 -8.911 -20.828 -2.313 1.00 0.00 C ATOM 690 C LYS A 334 -9.242 -22.141 -1.609 1.00 0.00 C ATOM 691 O LYS A 334 -8.406 -23.039 -1.524 1.00 0.00 O ATOM 692 CB LYS A 334 -9.317 -20.911 -3.785 1.00 0.00 C ATOM 693 CG LYS A 334 -10.821 -20.861 -4.005 1.00 0.00 C ATOM 694 CD LYS A 334 -11.340 -19.433 -3.971 1.00 0.00 C ATOM 695 CE LYS A 334 -12.587 -19.273 -4.825 1.00 0.00 C ATOM 696 NZ LYS A 334 -13.695 -20.152 -4.358 1.00 0.00 N ATOM 0 H LYS A 334 -6.957 -20.652 -3.053 1.00 0.00 H new ATOM 0 HA LYS A 334 -9.472 -20.025 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -8.851 -20.089 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -8.927 -21.836 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -11.065 -21.315 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -11.322 -21.450 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -11.564 -19.150 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -10.565 -18.754 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -12.913 -18.233 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -12.349 -19.508 -5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -14.566 -19.918 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -13.446 -21.147 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -13.848 -20.006 -3.340 1.00 0.00 H new ATOM 710 N GLY A 335 -10.468 -22.243 -1.106 1.00 0.00 N ATOM 711 CA GLY A 335 -10.889 -23.449 -0.416 1.00 0.00 C ATOM 712 C GLY A 335 -12.234 -23.955 -0.900 1.00 0.00 C ATOM 713 O GLY A 335 -12.709 -24.979 -0.368 1.00 0.00 O ATOM 714 OXT GLY A 335 -12.812 -23.325 -1.810 1.00 0.00 O ATOM 0 H GLY A 335 -11.177 -21.512 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -10.139 -24.227 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -10.943 -23.251 0.655 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.138 2.865 1.000 1.00 0.00 ZN