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 Single : A 290 SER OG : rot -28:sc= 0.1 USER MOD Single : A 298 SER OG : rot 180:sc= 0 USER MOD Single : A 302 TYR OH : rot 180:sc= 0 USER MOD Single : A 304 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 307 SER OG : rot 180:sc= 0 USER MOD Single : A 309 ASN : amide:sc= -0.126 X(o=-0.13,f=0.23) USER MOD Single : A 311 MET CE :methyl -164:sc= -2.17 (180deg=-2.95) USER MOD Single : A 312 ASN : amide:sc= -1.84! C(o=-1.8!,f=-4.9!) USER MOD Single : A 317 SER OG : rot -38:sc= 0.777 USER MOD Single : A 318 HIS : no HD1:sc= -3.29! K(o=-3.3!,f=-2) USER MOD Single : A 320 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 328 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.6!) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 27.375 -10.037 11.662 1.00 0.00 N ATOM 2 CA SER A 290 26.000 -10.227 12.191 1.00 0.00 C ATOM 3 C SER A 290 25.081 -10.828 11.133 1.00 0.00 C ATOM 4 O SER A 290 25.318 -10.681 9.934 1.00 0.00 O ATOM 5 CB SER A 290 25.462 -8.869 12.647 1.00 0.00 C ATOM 6 OG SER A 290 25.438 -7.943 11.575 1.00 0.00 O ATOM 0 HA SER A 290 26.032 -10.921 13.031 1.00 0.00 H new ATOM 0 HB2 SER A 290 24.456 -8.990 13.050 1.00 0.00 H new ATOM 0 HB3 SER A 290 26.084 -8.480 13.453 1.00 0.00 H new ATOM 0 HG SER A 290 26.135 -8.176 10.926 1.00 0.00 H new ATOM 14 N PHE A 291 24.031 -11.508 11.584 1.00 0.00 N ATOM 15 CA PHE A 291 23.077 -12.132 10.675 1.00 0.00 C ATOM 16 C PHE A 291 21.674 -11.577 10.892 1.00 0.00 C ATOM 17 O PHE A 291 20.683 -12.292 10.743 1.00 0.00 O ATOM 18 CB PHE A 291 23.076 -13.650 10.871 1.00 0.00 C ATOM 19 CG PHE A 291 22.932 -14.419 9.588 1.00 0.00 C ATOM 20 CD1 PHE A 291 24.049 -14.783 8.854 1.00 0.00 C ATOM 21 CD2 PHE A 291 21.678 -14.777 9.118 1.00 0.00 C ATOM 22 CE1 PHE A 291 23.919 -15.491 7.674 1.00 0.00 C ATOM 23 CE2 PHE A 291 21.543 -15.484 7.938 1.00 0.00 C ATOM 24 CZ PHE A 291 22.664 -15.841 7.215 1.00 0.00 C ATOM 0 H PHE A 291 23.820 -11.641 12.573 1.00 0.00 H new ATOM 0 HA PHE A 291 23.382 -11.904 9.654 1.00 0.00 H new ATOM 0 HB2 PHE A 291 24.004 -13.946 11.361 1.00 0.00 H new ATOM 0 HB3 PHE A 291 22.261 -13.921 11.542 1.00 0.00 H new ATOM 0 HD1 PHE A 291 25.032 -14.511 9.208 1.00 0.00 H new ATOM 0 HD2 PHE A 291 20.798 -14.501 9.679 1.00 0.00 H new ATOM 0 HE1 PHE A 291 24.798 -15.770 7.111 1.00 0.00 H new ATOM 0 HE2 PHE A 291 20.561 -15.757 7.581 1.00 0.00 H new ATOM 0 HZ PHE A 291 22.560 -16.393 6.292 1.00 0.00 H new ATOM 34 N GLU A 292 21.597 -10.298 11.245 1.00 0.00 N ATOM 35 CA GLU A 292 20.313 -9.647 11.482 1.00 0.00 C ATOM 36 C GLU A 292 19.767 -9.038 10.195 1.00 0.00 C ATOM 37 O GLU A 292 20.504 -8.420 9.426 1.00 0.00 O ATOM 38 CB GLU A 292 20.459 -8.562 12.551 1.00 0.00 C ATOM 39 CG GLU A 292 21.113 -9.053 13.832 1.00 0.00 C ATOM 40 CD GLU A 292 20.102 -9.369 14.916 1.00 0.00 C ATOM 41 OE1 GLU A 292 18.988 -9.822 14.578 1.00 0.00 O ATOM 42 OE2 GLU A 292 20.424 -9.163 16.106 1.00 0.00 O ATOM 0 H GLU A 292 22.407 -9.692 11.373 1.00 0.00 H new ATOM 0 HA GLU A 292 19.609 -10.402 11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 292 21.048 -7.740 12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 292 19.473 -8.161 12.787 1.00 0.00 H new ATOM 0 HG2 GLU A 292 21.701 -9.945 13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 292 21.806 -8.295 14.196 1.00 0.00 H new ATOM 49 N GLU A 293 18.471 -9.218 9.965 1.00 0.00 N ATOM 50 CA GLU A 293 17.825 -8.686 8.770 1.00 0.00 C ATOM 51 C GLU A 293 17.935 -7.166 8.724 1.00 0.00 C ATOM 52 O GLU A 293 18.549 -6.550 9.595 1.00 0.00 O ATOM 53 CB GLU A 293 16.355 -9.105 8.731 1.00 0.00 C ATOM 54 CG GLU A 293 16.150 -10.610 8.781 1.00 0.00 C ATOM 55 CD GLU A 293 16.435 -11.281 7.451 1.00 0.00 C ATOM 56 OE1 GLU A 293 17.594 -11.215 6.989 1.00 0.00 O ATOM 57 OE2 GLU A 293 15.500 -11.871 6.871 1.00 0.00 O ATOM 0 H GLU A 293 17.847 -9.728 10.590 1.00 0.00 H new ATOM 0 HA GLU A 293 18.335 -9.095 7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 293 15.833 -8.647 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 293 15.899 -8.715 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 293 16.799 -11.036 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 293 15.124 -10.824 9.079 1.00 0.00 H new ATOM 64 N ASP A 294 17.336 -6.565 7.699 1.00 0.00 N ATOM 65 CA ASP A 294 17.367 -5.116 7.539 1.00 0.00 C ATOM 66 C ASP A 294 15.964 -4.562 7.300 1.00 0.00 C ATOM 67 O ASP A 294 15.534 -4.413 6.156 1.00 0.00 O ATOM 68 CB ASP A 294 18.286 -4.729 6.378 1.00 0.00 C ATOM 69 CG ASP A 294 18.018 -5.549 5.131 1.00 0.00 C ATOM 70 OD1 ASP A 294 16.927 -6.150 5.037 1.00 0.00 O ATOM 71 OD2 ASP A 294 18.900 -5.590 4.248 1.00 0.00 O ATOM 0 H ASP A 294 16.824 -7.059 6.968 1.00 0.00 H new ATOM 0 HA ASP A 294 17.756 -4.683 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 294 18.153 -3.671 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 294 19.325 -4.862 6.681 1.00 0.00 H new ATOM 76 N PRO A 295 15.231 -4.249 8.382 1.00 0.00 N ATOM 77 CA PRO A 295 13.870 -3.709 8.285 1.00 0.00 C ATOM 78 C PRO A 295 13.800 -2.458 7.414 1.00 0.00 C ATOM 79 O PRO A 295 12.736 -2.105 6.905 1.00 0.00 O ATOM 80 CB PRO A 295 13.513 -3.370 9.735 1.00 0.00 C ATOM 81 CG PRO A 295 14.391 -4.246 10.559 1.00 0.00 C ATOM 82 CD PRO A 295 15.668 -4.397 9.782 1.00 0.00 C ATOM 0 HA PRO A 295 13.186 -4.419 7.819 1.00 0.00 H new ATOM 0 HB2 PRO A 295 13.692 -2.316 9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 295 12.460 -3.563 9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 295 14.579 -3.802 11.537 1.00 0.00 H new ATOM 0 HG3 PRO A 295 13.923 -5.215 10.733 1.00 0.00 H new ATOM 0 HD2 PRO A 295 16.399 -3.637 10.058 1.00 0.00 H new ATOM 0 HD3 PRO A 295 16.134 -5.367 9.958 1.00 0.00 H new ATOM 90 N GLU A 296 14.938 -1.788 7.247 1.00 0.00 N ATOM 91 CA GLU A 296 15.003 -0.574 6.438 1.00 0.00 C ATOM 92 C GLU A 296 14.397 -0.804 5.056 1.00 0.00 C ATOM 93 O GLU A 296 15.076 -1.261 4.136 1.00 0.00 O ATOM 94 CB GLU A 296 16.453 -0.106 6.303 1.00 0.00 C ATOM 95 CG GLU A 296 17.125 0.177 7.637 1.00 0.00 C ATOM 96 CD GLU A 296 18.224 1.217 7.529 1.00 0.00 C ATOM 97 OE1 GLU A 296 18.890 1.269 6.475 1.00 0.00 O ATOM 98 OE2 GLU A 296 18.417 1.979 8.500 1.00 0.00 O ATOM 0 H GLU A 296 15.828 -2.066 7.661 1.00 0.00 H new ATOM 0 HA GLU A 296 14.423 0.200 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 296 17.024 -0.867 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 296 16.480 0.797 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 296 16.376 0.519 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 296 17.544 -0.749 8.032 1.00 0.00 H new ATOM 105 N ILE A 297 13.113 -0.487 4.922 1.00 0.00 N ATOM 106 CA ILE A 297 12.406 -0.659 3.659 1.00 0.00 C ATOM 107 C ILE A 297 12.634 0.536 2.734 1.00 0.00 C ATOM 108 O ILE A 297 12.984 1.626 3.184 1.00 0.00 O ATOM 109 CB ILE A 297 10.890 -0.876 3.902 1.00 0.00 C ATOM 110 CG1 ILE A 297 10.586 -2.371 3.972 1.00 0.00 C ATOM 111 CG2 ILE A 297 10.038 -0.214 2.822 1.00 0.00 C ATOM 112 CD1 ILE A 297 9.205 -2.684 4.505 1.00 0.00 C ATOM 0 H ILE A 297 12.540 -0.108 5.676 1.00 0.00 H new ATOM 0 HA ILE A 297 12.807 -1.547 3.171 1.00 0.00 H new ATOM 0 HB ILE A 297 10.634 -0.406 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 297 10.688 -2.801 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 297 11.329 -2.855 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 297 8.983 -0.391 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.231 0.859 2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.291 -0.636 1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 297 9.059 -3.764 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 297 9.105 -2.284 5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 297 8.454 -2.229 3.859 1.00 0.00 H new ATOM 124 N SER A 298 12.431 0.316 1.439 1.00 0.00 N ATOM 125 CA SER A 298 12.612 1.370 0.444 1.00 0.00 C ATOM 126 C SER A 298 11.276 2.008 0.073 1.00 0.00 C ATOM 127 O SER A 298 10.216 1.531 0.479 1.00 0.00 O ATOM 128 CB SER A 298 13.288 0.808 -0.808 1.00 0.00 C ATOM 129 OG SER A 298 14.290 -0.134 -0.469 1.00 0.00 O ATOM 0 H SER A 298 12.141 -0.582 1.053 1.00 0.00 H new ATOM 0 HA SER A 298 13.250 2.139 0.880 1.00 0.00 H new ATOM 0 HB2 SER A 298 12.542 0.335 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.730 1.622 -1.383 1.00 0.00 H new ATOM 0 HG SER A 298 14.705 -0.479 -1.287 1.00 0.00 H new ATOM 135 N LEU A 299 11.336 3.087 -0.700 1.00 0.00 N ATOM 136 CA LEU A 299 10.131 3.792 -1.126 1.00 0.00 C ATOM 137 C LEU A 299 9.673 3.320 -2.504 1.00 0.00 C ATOM 138 O LEU A 299 8.490 3.397 -2.837 1.00 0.00 O ATOM 139 CB LEU A 299 10.378 5.302 -1.149 1.00 0.00 C ATOM 140 CG LEU A 299 9.114 6.164 -1.210 1.00 0.00 C ATOM 141 CD1 LEU A 299 9.299 7.440 -0.404 1.00 0.00 C ATOM 142 CD2 LEU A 299 8.761 6.489 -2.653 1.00 0.00 C ATOM 0 H LEU A 299 12.206 3.493 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 299 9.342 3.569 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.944 5.576 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 299 11.003 5.540 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 299 8.290 5.600 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 299 8.391 8.040 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 299 9.504 7.187 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 299 10.135 8.009 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 299 7.860 7.102 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 299 9.584 7.034 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 299 8.585 5.564 -3.202 1.00 0.00 H new ATOM 154 N ALA A 300 10.619 2.839 -3.302 1.00 0.00 N ATOM 155 CA ALA A 300 10.321 2.361 -4.648 1.00 0.00 C ATOM 156 C ALA A 300 9.411 1.137 -4.622 1.00 0.00 C ATOM 157 O ALA A 300 8.704 0.859 -5.591 1.00 0.00 O ATOM 158 CB ALA A 300 11.610 2.044 -5.388 1.00 0.00 C ATOM 0 H ALA A 300 11.602 2.769 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 300 9.791 3.155 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.376 1.688 -6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.221 2.944 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.159 1.272 -4.848 1.00 0.00 H new ATOM 164 N ASP A 301 9.434 0.404 -3.514 1.00 0.00 N ATOM 165 CA ASP A 301 8.613 -0.794 -3.374 1.00 0.00 C ATOM 166 C ASP A 301 7.165 -0.447 -3.026 1.00 0.00 C ATOM 167 O ASP A 301 6.292 -1.315 -3.046 1.00 0.00 O ATOM 168 CB ASP A 301 9.198 -1.712 -2.299 1.00 0.00 C ATOM 169 CG ASP A 301 10.239 -2.663 -2.855 1.00 0.00 C ATOM 170 OD1 ASP A 301 10.059 -3.141 -3.995 1.00 0.00 O ATOM 171 OD2 ASP A 301 11.236 -2.930 -2.151 1.00 0.00 O ATOM 0 H ASP A 301 10.011 0.618 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 301 8.615 -1.310 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 301 9.647 -1.106 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 301 8.394 -2.286 -1.839 1.00 0.00 H new ATOM 176 N TYR A 302 6.914 0.820 -2.697 1.00 0.00 N ATOM 177 CA TYR A 302 5.574 1.265 -2.337 1.00 0.00 C ATOM 178 C TYR A 302 4.535 0.827 -3.366 1.00 0.00 C ATOM 179 O TYR A 302 4.877 0.357 -4.450 1.00 0.00 O ATOM 180 CB TYR A 302 5.552 2.782 -2.183 1.00 0.00 C ATOM 181 CG TYR A 302 6.008 3.221 -0.818 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.108 2.624 -0.228 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.339 4.212 -0.114 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.534 2.994 1.023 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.761 4.595 1.145 1.00 0.00 C ATOM 186 CZ TYR A 302 6.860 3.982 1.711 1.00 0.00 C ATOM 187 OH TYR A 302 7.283 4.356 2.965 1.00 0.00 O ATOM 0 H TYR A 302 7.622 1.553 -2.673 1.00 0.00 H new ATOM 0 HA TYR A 302 5.314 0.799 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.194 3.232 -2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.541 3.149 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.642 1.852 -0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.477 4.690 -0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.393 2.514 1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.234 5.369 1.683 1.00 0.00 H new ATOM 0 HH TYR A 302 6.700 5.064 3.309 1.00 0.00 H new ATOM 197 N TRP A 303 3.263 0.987 -3.013 1.00 0.00 N ATOM 198 CA TRP A 303 2.168 0.609 -3.899 1.00 0.00 C ATOM 199 C TRP A 303 1.013 1.602 -3.789 1.00 0.00 C ATOM 200 O TRP A 303 0.959 2.405 -2.856 1.00 0.00 O ATOM 201 CB TRP A 303 1.679 -0.800 -3.562 1.00 0.00 C ATOM 202 CG TRP A 303 1.383 -0.991 -2.106 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.283 -1.257 -1.114 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.098 -0.930 -1.478 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.635 -1.366 0.092 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.293 -1.170 -0.105 1.00 0.00 C ATOM 207 CE3 TRP A 303 -1.197 -0.696 -1.945 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.760 -1.181 0.805 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.243 -0.707 -1.040 1.00 0.00 C ATOM 210 CH2 TRP A 303 -2.019 -0.948 0.322 1.00 0.00 C ATOM 0 H TRP A 303 2.965 1.376 -2.118 1.00 0.00 H new ATOM 0 HA TRP A 303 2.538 0.623 -4.924 1.00 0.00 H new ATOM 0 HB2 TRP A 303 0.780 -1.013 -4.140 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.434 -1.523 -3.870 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.348 -1.366 -1.257 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.080 -1.561 0.989 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -1.378 -0.510 -2.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.590 -1.367 1.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.249 -0.527 -1.389 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.856 -0.950 1.004 1.00 0.00 H new ATOM 221 N LYS A 304 0.095 1.541 -4.748 1.00 0.00 N ATOM 222 CA LYS A 304 -1.058 2.434 -4.762 1.00 0.00 C ATOM 223 C LYS A 304 -2.328 1.703 -4.338 1.00 0.00 C ATOM 224 O LYS A 304 -2.610 0.602 -4.812 1.00 0.00 O ATOM 225 CB LYS A 304 -1.246 3.035 -6.158 1.00 0.00 C ATOM 226 CG LYS A 304 -2.412 4.006 -6.251 1.00 0.00 C ATOM 227 CD LYS A 304 -2.286 4.912 -7.465 1.00 0.00 C ATOM 228 CE LYS A 304 -1.226 5.981 -7.256 1.00 0.00 C ATOM 229 NZ LYS A 304 -1.189 6.956 -8.381 1.00 0.00 N ATOM 0 H LYS A 304 0.127 0.882 -5.526 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.869 3.235 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 304 -0.331 3.551 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -1.398 2.228 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -3.347 3.449 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.455 4.612 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -2.034 4.315 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -3.247 5.386 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 304 -1.423 6.510 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 304 -0.249 5.508 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 -0.453 7.668 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 -0.975 6.456 -9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -2.113 7.426 -8.463 1.00 0.00 H new ATOM 243 N CYS A 305 -3.094 2.322 -3.443 1.00 0.00 N ATOM 244 CA CYS A 305 -4.337 1.728 -2.960 1.00 0.00 C ATOM 245 C CYS A 305 -5.392 1.714 -4.061 1.00 0.00 C ATOM 246 O CYS A 305 -5.700 2.747 -4.656 1.00 0.00 O ATOM 247 CB CYS A 305 -4.856 2.492 -1.741 1.00 0.00 C ATOM 248 SG CYS A 305 -6.015 1.548 -0.724 1.00 0.00 S ATOM 0 H CYS A 305 -2.876 3.233 -3.039 1.00 0.00 H new ATOM 0 HA CYS A 305 -4.131 0.699 -2.667 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -4.009 2.792 -1.125 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -5.345 3.406 -2.078 1.00 0.00 H new ATOM 254 N THR A 306 -5.935 0.532 -4.336 1.00 0.00 N ATOM 255 CA THR A 306 -6.944 0.369 -5.379 1.00 0.00 C ATOM 256 C THR A 306 -8.300 0.955 -4.981 1.00 0.00 C ATOM 257 O THR A 306 -9.254 0.889 -5.758 1.00 0.00 O ATOM 258 CB THR A 306 -7.106 -1.111 -5.722 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.631 -1.827 -4.618 1.00 0.00 O ATOM 260 CG2 THR A 306 -5.810 -1.778 -6.127 1.00 0.00 C ATOM 0 H THR A 306 -5.692 -0.331 -3.849 1.00 0.00 H new ATOM 0 HA THR A 306 -6.593 0.920 -6.251 1.00 0.00 H new ATOM 0 HB THR A 306 -7.789 -1.137 -6.571 1.00 0.00 H new ATOM 0 HG1 THR A 306 -7.729 -2.772 -4.858 1.00 0.00 H new ATOM 0 HG21 THR A 306 -5.997 -2.827 -6.357 1.00 0.00 H new ATOM 0 HG22 THR A 306 -5.404 -1.280 -7.008 1.00 0.00 H new ATOM 0 HG23 THR A 306 -5.094 -1.708 -5.309 1.00 0.00 H new ATOM 268 N SER A 307 -8.399 1.524 -3.781 1.00 0.00 N ATOM 269 CA SER A 307 -9.658 2.102 -3.327 1.00 0.00 C ATOM 270 C SER A 307 -9.525 3.602 -3.115 1.00 0.00 C ATOM 271 O SER A 307 -10.266 4.393 -3.701 1.00 0.00 O ATOM 272 CB SER A 307 -10.112 1.431 -2.029 1.00 0.00 C ATOM 273 OG SER A 307 -10.061 0.019 -2.138 1.00 0.00 O ATOM 0 H SER A 307 -7.631 1.596 -3.114 1.00 0.00 H new ATOM 0 HA SER A 307 -10.406 1.929 -4.100 1.00 0.00 H new ATOM 0 HB2 SER A 307 -9.477 1.758 -1.206 1.00 0.00 H new ATOM 0 HB3 SER A 307 -11.129 1.744 -1.791 1.00 0.00 H new ATOM 0 HG SER A 307 -10.354 -0.385 -1.295 1.00 0.00 H new ATOM 279 N CYS A 308 -8.587 3.984 -2.264 1.00 0.00 N ATOM 280 CA CYS A 308 -8.359 5.388 -1.954 1.00 0.00 C ATOM 281 C CYS A 308 -7.226 5.985 -2.793 1.00 0.00 C ATOM 282 O CYS A 308 -7.080 7.205 -2.866 1.00 0.00 O ATOM 283 CB CYS A 308 -8.059 5.535 -0.462 1.00 0.00 C ATOM 284 SG CYS A 308 -6.376 5.086 0.014 1.00 0.00 S ATOM 0 H CYS A 308 -7.968 3.339 -1.773 1.00 0.00 H new ATOM 0 HA CYS A 308 -9.263 5.943 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -8.242 6.569 -0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.759 4.915 0.099 1.00 0.00 H new ATOM 290 N ASN A 309 -6.428 5.127 -3.426 1.00 0.00 N ATOM 291 CA ASN A 309 -5.318 5.588 -4.256 1.00 0.00 C ATOM 292 C ASN A 309 -4.277 6.340 -3.426 1.00 0.00 C ATOM 293 O ASN A 309 -4.032 7.527 -3.647 1.00 0.00 O ATOM 294 CB ASN A 309 -5.840 6.481 -5.384 1.00 0.00 C ATOM 295 CG ASN A 309 -6.018 5.721 -6.684 1.00 0.00 C ATOM 296 OD1 ASN A 309 -6.471 4.577 -6.691 1.00 0.00 O ATOM 297 ND2 ASN A 309 -5.662 6.358 -7.794 1.00 0.00 N ATOM 0 H ASN A 309 -6.529 4.113 -3.380 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.833 4.712 -4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.794 6.917 -5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -5.147 7.307 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -5.760 5.899 -8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -5.291 7.307 -7.741 1.00 0.00 H new ATOM 304 N GLU A 310 -3.661 5.640 -2.479 1.00 0.00 N ATOM 305 CA GLU A 310 -2.639 6.236 -1.624 1.00 0.00 C ATOM 306 C GLU A 310 -1.318 5.488 -1.767 1.00 0.00 C ATOM 307 O GLU A 310 -1.275 4.388 -2.313 1.00 0.00 O ATOM 308 CB GLU A 310 -3.090 6.221 -0.164 1.00 0.00 C ATOM 309 CG GLU A 310 -2.345 7.209 0.719 1.00 0.00 C ATOM 310 CD GLU A 310 -2.326 8.612 0.143 1.00 0.00 C ATOM 311 OE1 GLU A 310 -1.474 8.885 -0.726 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.166 9.436 0.562 1.00 0.00 O ATOM 0 H GLU A 310 -3.852 4.657 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.492 7.270 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.156 6.442 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.956 5.217 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.810 7.232 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.320 6.864 0.858 1.00 0.00 H new ATOM 319 N MET A 311 -0.243 6.094 -1.277 1.00 0.00 N ATOM 320 CA MET A 311 1.080 5.484 -1.356 1.00 0.00 C ATOM 321 C MET A 311 1.456 4.805 -0.042 1.00 0.00 C ATOM 322 O MET A 311 1.815 5.471 0.930 1.00 0.00 O ATOM 323 CB MET A 311 2.127 6.540 -1.714 1.00 0.00 C ATOM 324 CG MET A 311 1.970 7.102 -3.117 1.00 0.00 C ATOM 325 SD MET A 311 2.015 5.823 -4.387 1.00 0.00 S ATOM 326 CE MET A 311 3.373 4.811 -3.804 1.00 0.00 C ATOM 0 H MET A 311 -0.261 7.006 -0.821 1.00 0.00 H new ATOM 0 HA MET A 311 1.052 4.724 -2.136 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.067 7.357 -0.995 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.120 6.102 -1.616 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.026 7.642 -3.184 1.00 0.00 H new ATOM 0 HG3 MET A 311 2.764 7.824 -3.306 1.00 0.00 H new ATOM 0 HE1 MET A 311 3.710 4.156 -4.608 1.00 0.00 H new ATOM 0 HE2 MET A 311 4.196 5.453 -3.489 1.00 0.00 H new ATOM 0 HE3 MET A 311 3.040 4.207 -2.960 1.00 0.00 H new ATOM 336 N ASN A 312 1.371 3.477 -0.018 1.00 0.00 N ATOM 337 CA ASN A 312 1.705 2.713 1.180 1.00 0.00 C ATOM 338 C ASN A 312 2.936 1.837 0.956 1.00 0.00 C ATOM 339 O ASN A 312 3.115 1.269 -0.121 1.00 0.00 O ATOM 340 CB ASN A 312 0.523 1.840 1.598 1.00 0.00 C ATOM 341 CG ASN A 312 -0.402 2.548 2.562 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.211 2.498 3.777 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.413 3.215 2.023 1.00 0.00 N ATOM 0 H ASN A 312 1.075 2.910 -0.812 1.00 0.00 H new ATOM 0 HA ASN A 312 1.930 3.425 1.974 1.00 0.00 H new ATOM 0 HB2 ASN A 312 -0.038 1.543 0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 312 0.895 0.926 2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -2.071 3.714 2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -1.532 3.229 1.010 1.00 0.00 H new ATOM 350 N PRO A 313 3.802 1.713 1.979 1.00 0.00 N ATOM 351 CA PRO A 313 5.017 0.896 1.891 1.00 0.00 C ATOM 352 C PRO A 313 4.709 -0.594 1.775 1.00 0.00 C ATOM 353 O PRO A 313 3.585 -1.026 2.033 1.00 0.00 O ATOM 354 CB PRO A 313 5.743 1.184 3.208 1.00 0.00 C ATOM 355 CG PRO A 313 4.674 1.629 4.143 1.00 0.00 C ATOM 356 CD PRO A 313 3.664 2.355 3.299 1.00 0.00 C ATOM 0 HA PRO A 313 5.602 1.139 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.251 0.295 3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.503 1.955 3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.220 0.778 4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 313 5.078 2.282 4.916 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.655 2.246 3.696 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.874 3.424 3.251 1.00 0.00 H new ATOM 364 N PRO A 314 5.710 -1.402 1.387 1.00 0.00 N ATOM 365 CA PRO A 314 5.546 -2.851 1.241 1.00 0.00 C ATOM 366 C PRO A 314 5.065 -3.508 2.531 1.00 0.00 C ATOM 367 O PRO A 314 4.340 -4.503 2.501 1.00 0.00 O ATOM 368 CB PRO A 314 6.953 -3.349 0.876 1.00 0.00 C ATOM 369 CG PRO A 314 7.873 -2.231 1.237 1.00 0.00 C ATOM 370 CD PRO A 314 7.079 -0.970 1.066 1.00 0.00 C ATOM 0 HA PRO A 314 4.793 -3.098 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.203 -4.257 1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.022 -3.588 -0.185 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.227 -2.333 2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 314 8.754 -2.228 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.422 -0.182 1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.153 -0.580 0.051 1.00 0.00 H new ATOM 378 N LEU A 315 5.473 -2.942 3.663 1.00 0.00 N ATOM 379 CA LEU A 315 5.084 -3.469 4.965 1.00 0.00 C ATOM 380 C LEU A 315 4.645 -2.334 5.895 1.00 0.00 C ATOM 381 O LEU A 315 5.431 -1.433 6.189 1.00 0.00 O ATOM 382 CB LEU A 315 6.247 -4.241 5.593 1.00 0.00 C ATOM 383 CG LEU A 315 6.089 -5.762 5.588 1.00 0.00 C ATOM 384 CD1 LEU A 315 6.385 -6.325 4.207 1.00 0.00 C ATOM 385 CD2 LEU A 315 6.999 -6.394 6.630 1.00 0.00 C ATOM 0 H LEU A 315 6.073 -2.118 3.704 1.00 0.00 H new ATOM 0 HA LEU A 315 4.243 -4.148 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 315 7.163 -3.984 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.371 -3.907 6.623 1.00 0.00 H new ATOM 0 HG LEU A 315 5.057 -6.003 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 315 6.267 -7.409 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 315 5.693 -5.896 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 315 7.407 -6.075 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 315 6.874 -7.477 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 315 8.036 -6.145 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 315 6.740 -6.014 7.618 1.00 0.00 H new ATOM 397 N PRO A 316 3.384 -2.354 6.372 1.00 0.00 N ATOM 398 CA PRO A 316 2.403 -3.401 6.055 1.00 0.00 C ATOM 399 C PRO A 316 1.949 -3.347 4.600 1.00 0.00 C ATOM 400 O PRO A 316 2.115 -2.330 3.925 1.00 0.00 O ATOM 401 CB PRO A 316 1.223 -3.102 6.993 1.00 0.00 C ATOM 402 CG PRO A 316 1.740 -2.110 7.981 1.00 0.00 C ATOM 403 CD PRO A 316 2.813 -1.343 7.268 1.00 0.00 C ATOM 0 HA PRO A 316 2.824 -4.397 6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.374 -2.699 6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 316 0.878 -4.008 7.491 1.00 0.00 H new ATOM 0 HG2 PRO A 316 0.945 -1.446 8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.138 -2.609 8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 316 2.407 -0.495 6.717 1.00 0.00 H new ATOM 0 HD3 PRO A 316 3.557 -0.947 7.960 1.00 0.00 H new ATOM 411 N SER A 317 1.380 -4.448 4.122 1.00 0.00 N ATOM 412 CA SER A 317 0.904 -4.530 2.744 1.00 0.00 C ATOM 413 C SER A 317 -0.549 -4.071 2.627 1.00 0.00 C ATOM 414 O SER A 317 -1.277 -4.514 1.739 1.00 0.00 O ATOM 415 CB SER A 317 1.039 -5.961 2.224 1.00 0.00 C ATOM 416 OG SER A 317 2.277 -6.531 2.614 1.00 0.00 O ATOM 0 H SER A 317 1.237 -5.297 4.668 1.00 0.00 H new ATOM 0 HA SER A 317 1.520 -3.865 2.139 1.00 0.00 H new ATOM 0 HB2 SER A 317 0.219 -6.569 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 317 0.960 -5.965 1.137 1.00 0.00 H new ATOM 0 HG SER A 317 2.978 -5.848 2.576 1.00 0.00 H new ATOM 422 N HIS A 318 -0.966 -3.178 3.522 1.00 0.00 N ATOM 423 CA HIS A 318 -2.331 -2.662 3.502 1.00 0.00 C ATOM 424 C HIS A 318 -2.349 -1.171 3.821 1.00 0.00 C ATOM 425 O HIS A 318 -1.507 -0.676 4.569 1.00 0.00 O ATOM 426 CB HIS A 318 -3.209 -3.427 4.496 1.00 0.00 C ATOM 427 CG HIS A 318 -2.730 -3.350 5.912 1.00 0.00 C ATOM 428 ND1 HIS A 318 -1.777 -4.201 6.432 1.00 0.00 N ATOM 429 CD2 HIS A 318 -3.082 -2.522 6.922 1.00 0.00 C ATOM 430 CE1 HIS A 318 -1.565 -3.899 7.701 1.00 0.00 C ATOM 431 NE2 HIS A 318 -2.345 -2.884 8.022 1.00 0.00 N ATOM 0 H HIS A 318 -0.381 -2.799 4.266 1.00 0.00 H new ATOM 0 HA HIS A 318 -2.733 -2.805 2.499 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -4.225 -3.035 4.445 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -3.255 -4.474 4.195 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -3.808 -1.724 6.872 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -0.872 -4.398 8.362 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -2.393 -2.440 8.939 1.00 0.00 H new ATOM 440 N CYS A 319 -3.309 -0.460 3.239 1.00 0.00 N ATOM 441 CA CYS A 319 -3.431 0.978 3.452 1.00 0.00 C ATOM 442 C CYS A 319 -3.638 1.306 4.926 1.00 0.00 C ATOM 443 O CYS A 319 -4.613 0.875 5.537 1.00 0.00 O ATOM 444 CB CYS A 319 -4.588 1.542 2.630 1.00 0.00 C ATOM 445 SG CYS A 319 -4.580 3.344 2.498 1.00 0.00 S ATOM 0 H CYS A 319 -4.014 -0.856 2.617 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.499 1.440 3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.552 1.114 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.529 1.224 3.079 1.00 0.00 H new ATOM 450 N ASN A 320 -2.718 2.079 5.489 1.00 0.00 N ATOM 451 CA ASN A 320 -2.804 2.470 6.891 1.00 0.00 C ATOM 452 C ASN A 320 -3.917 3.495 7.118 1.00 0.00 C ATOM 453 O ASN A 320 -4.222 3.843 8.259 1.00 0.00 O ATOM 454 CB ASN A 320 -1.466 3.044 7.362 1.00 0.00 C ATOM 455 CG ASN A 320 -0.419 1.969 7.576 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.697 0.925 8.168 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.794 2.218 7.097 1.00 0.00 N ATOM 0 H ASN A 320 -1.904 2.448 4.997 1.00 0.00 H new ATOM 0 HA ASN A 320 -3.040 1.578 7.471 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -1.102 3.760 6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.616 3.592 8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 320 1.539 1.531 7.213 1.00 0.00 H new ATOM 0 HD22 ASN A 320 0.981 3.096 6.613 1.00 0.00 H new ATOM 464 N ARG A 321 -4.518 3.979 6.032 1.00 0.00 N ATOM 465 CA ARG A 321 -5.588 4.965 6.129 1.00 0.00 C ATOM 466 C ARG A 321 -6.962 4.311 5.999 1.00 0.00 C ATOM 467 O ARG A 321 -7.741 4.290 6.953 1.00 0.00 O ATOM 468 CB ARG A 321 -5.417 6.036 5.051 1.00 0.00 C ATOM 469 CG ARG A 321 -6.006 7.385 5.433 1.00 0.00 C ATOM 470 CD ARG A 321 -7.249 7.702 4.616 1.00 0.00 C ATOM 471 NE ARG A 321 -7.442 9.141 4.450 1.00 0.00 N ATOM 472 CZ ARG A 321 -8.219 9.681 3.515 1.00 0.00 C ATOM 473 NH1 ARG A 321 -8.876 8.908 2.659 1.00 0.00 N ATOM 474 NH2 ARG A 321 -8.340 10.999 3.434 1.00 0.00 N ATOM 0 H ARG A 321 -4.282 3.704 5.079 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.526 5.429 7.113 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -4.355 6.160 4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -5.888 5.691 4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -6.256 7.387 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -5.260 8.165 5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -7.169 7.231 3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -8.124 7.273 5.105 1.00 0.00 H new ATOM 0 HE ARG A 321 -6.952 9.768 5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -8.787 7.894 2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -9.470 9.329 1.944 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -7.837 11.598 4.089 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -8.936 11.413 2.717 1.00 0.00 H new ATOM 488 N CYS A 322 -7.260 3.789 4.812 1.00 0.00 N ATOM 489 CA CYS A 322 -8.548 3.150 4.561 1.00 0.00 C ATOM 490 C CYS A 322 -8.517 1.656 4.894 1.00 0.00 C ATOM 491 O CYS A 322 -9.562 1.006 4.940 1.00 0.00 O ATOM 492 CB CYS A 322 -8.973 3.367 3.099 1.00 0.00 C ATOM 493 SG CYS A 322 -8.298 2.169 1.920 1.00 0.00 S ATOM 0 H CYS A 322 -6.629 3.796 4.011 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.282 3.615 5.219 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.061 3.335 3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -8.668 4.367 2.792 1.00 0.00 H new ATOM 498 N TRP A 323 -7.323 1.111 5.121 1.00 0.00 N ATOM 499 CA TRP A 323 -7.183 -0.307 5.443 1.00 0.00 C ATOM 500 C TRP A 323 -7.574 -1.176 4.252 1.00 0.00 C ATOM 501 O TRP A 323 -8.628 -1.812 4.251 1.00 0.00 O ATOM 502 CB TRP A 323 -8.036 -0.664 6.665 1.00 0.00 C ATOM 503 CG TRP A 323 -7.250 -1.301 7.769 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.557 -0.662 8.756 1.00 0.00 C ATOM 505 CD2 TRP A 323 -7.073 -2.704 7.998 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.960 -1.580 9.585 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.262 -2.841 9.141 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.521 -3.858 7.348 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.891 -4.085 9.645 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -7.152 -5.091 7.851 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.344 -5.197 8.989 1.00 0.00 C ATOM 0 H TRP A 323 -6.444 1.627 5.088 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.136 -0.500 5.678 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.514 0.240 7.043 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.833 -1.341 6.358 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.488 0.410 8.869 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.386 -1.359 10.398 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -8.144 -3.787 6.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -5.268 -4.169 10.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.493 -5.989 7.357 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -6.073 -6.176 9.356 1.00 0.00 H new ATOM 522 N ALA A 324 -6.718 -1.196 3.234 1.00 0.00 N ATOM 523 CA ALA A 324 -6.977 -1.987 2.037 1.00 0.00 C ATOM 524 C ALA A 324 -5.763 -2.825 1.654 1.00 0.00 C ATOM 525 O ALA A 324 -4.662 -2.301 1.489 1.00 0.00 O ATOM 526 CB ALA A 324 -7.383 -1.079 0.885 1.00 0.00 C ATOM 0 H ALA A 324 -5.842 -0.675 3.215 1.00 0.00 H new ATOM 0 HA ALA A 324 -7.798 -2.671 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.574 -1.681 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.287 -0.532 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.579 -0.372 0.678 1.00 0.00 H new ATOM 532 N LEU A 325 -5.971 -4.130 1.512 1.00 0.00 N ATOM 533 CA LEU A 325 -4.894 -5.041 1.145 1.00 0.00 C ATOM 534 C LEU A 325 -4.543 -4.902 -0.333 1.00 0.00 C ATOM 535 O LEU A 325 -5.413 -4.996 -1.199 1.00 0.00 O ATOM 536 CB LEU A 325 -5.288 -6.482 1.459 1.00 0.00 C ATOM 537 CG LEU A 325 -4.325 -7.212 2.393 1.00 0.00 C ATOM 538 CD1 LEU A 325 -2.903 -7.142 1.858 1.00 0.00 C ATOM 539 CD2 LEU A 325 -4.401 -6.628 3.797 1.00 0.00 C ATOM 0 H LEU A 325 -6.876 -4.580 1.646 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.014 -4.779 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.281 -6.484 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -5.359 -7.038 0.524 1.00 0.00 H new ATOM 0 HG LEU A 325 -4.619 -8.261 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -2.232 -7.668 2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -2.861 -7.608 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -2.595 -6.099 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -3.709 -7.159 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -4.133 -5.572 3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -5.416 -6.734 4.181 1.00 0.00 H new ATOM 551 N ARG A 326 -3.264 -4.674 -0.614 1.00 0.00 N ATOM 552 CA ARG A 326 -2.803 -4.520 -1.991 1.00 0.00 C ATOM 553 C ARG A 326 -3.084 -5.776 -2.808 1.00 0.00 C ATOM 554 O ARG A 326 -3.612 -6.760 -2.291 1.00 0.00 O ATOM 555 CB ARG A 326 -1.311 -4.198 -2.032 1.00 0.00 C ATOM 556 CG ARG A 326 -0.511 -4.961 -1.002 1.00 0.00 C ATOM 557 CD ARG A 326 0.742 -5.576 -1.604 1.00 0.00 C ATOM 558 NE ARG A 326 1.898 -4.691 -1.483 1.00 0.00 N ATOM 559 CZ ARG A 326 3.159 -5.095 -1.622 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.431 -6.370 -1.880 1.00 0.00 N ATOM 561 NH2 ARG A 326 4.151 -4.224 -1.502 1.00 0.00 N ATOM 0 H ARG A 326 -2.530 -4.592 0.090 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.355 -3.689 -2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -0.924 -4.425 -3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -1.172 -3.129 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -0.232 -4.291 -0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.130 -5.747 -0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 326 0.956 -6.522 -1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.566 -5.801 -2.656 1.00 0.00 H new ATOM 0 HE ARG A 326 1.729 -3.706 -1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.672 -7.045 -1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.399 -6.674 -1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 326 3.948 -3.244 -1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 326 5.117 -4.533 -1.608 1.00 0.00 H new ATOM 575 N GLU A 327 -2.725 -5.734 -4.087 1.00 0.00 N ATOM 576 CA GLU A 327 -2.934 -6.869 -4.978 1.00 0.00 C ATOM 577 C GLU A 327 -1.619 -7.305 -5.620 1.00 0.00 C ATOM 578 O GLU A 327 -1.608 -7.868 -6.714 1.00 0.00 O ATOM 579 CB GLU A 327 -3.954 -6.512 -6.062 1.00 0.00 C ATOM 580 CG GLU A 327 -5.006 -7.586 -6.283 1.00 0.00 C ATOM 581 CD GLU A 327 -4.734 -8.426 -7.516 1.00 0.00 C ATOM 582 OE1 GLU A 327 -5.097 -7.984 -8.627 1.00 0.00 O ATOM 583 OE2 GLU A 327 -4.157 -9.524 -7.371 1.00 0.00 O ATOM 0 H GLU A 327 -2.288 -4.926 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 327 -3.321 -7.699 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.450 -5.580 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -3.428 -6.332 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -5.047 -8.235 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -5.985 -7.116 -6.377 1.00 0.00 H new ATOM 590 N ASN A 328 -0.513 -7.040 -4.931 1.00 0.00 N ATOM 591 CA ASN A 328 0.807 -7.403 -5.432 1.00 0.00 C ATOM 592 C ASN A 328 1.431 -8.512 -4.586 1.00 0.00 C ATOM 593 O ASN A 328 2.320 -9.228 -5.046 1.00 0.00 O ATOM 594 CB ASN A 328 1.723 -6.177 -5.447 1.00 0.00 C ATOM 595 CG ASN A 328 2.005 -5.684 -6.853 1.00 0.00 C ATOM 596 OD1 ASN A 328 1.255 -5.970 -7.785 1.00 0.00 O ATOM 597 ND2 ASN A 328 3.093 -4.939 -7.012 1.00 0.00 N ATOM 0 H ASN A 328 -0.506 -6.575 -4.023 1.00 0.00 H new ATOM 0 HA ASN A 328 0.691 -7.775 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 328 1.262 -5.376 -4.869 1.00 0.00 H new ATOM 0 HB3 ASN A 328 2.664 -6.424 -4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 328 3.334 -4.580 -7.936 1.00 0.00 H new ATOM 0 HD22 ASN A 328 3.687 -4.726 -6.211 1.00 0.00 H new ATOM 604 N TRP A 329 0.960 -8.648 -3.349 1.00 0.00 N ATOM 605 CA TRP A 329 1.475 -9.670 -2.443 1.00 0.00 C ATOM 606 C TRP A 329 1.291 -11.066 -3.037 1.00 0.00 C ATOM 607 O TRP A 329 1.095 -11.215 -4.243 1.00 0.00 O ATOM 608 CB TRP A 329 0.778 -9.565 -1.082 1.00 0.00 C ATOM 609 CG TRP A 329 -0.649 -10.007 -1.115 1.00 0.00 C ATOM 610 CD1 TRP A 329 -1.431 -10.128 -2.220 1.00 0.00 C ATOM 611 CD2 TRP A 329 -1.463 -10.386 0.000 1.00 0.00 C ATOM 612 NE1 TRP A 329 -2.682 -10.560 -1.869 1.00 0.00 N ATOM 613 CE2 TRP A 329 -2.729 -10.726 -0.509 1.00 0.00 C ATOM 614 CE3 TRP A 329 -1.244 -10.473 1.378 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -3.774 -11.145 0.312 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -2.281 -10.888 2.192 1.00 0.00 C ATOM 617 CH2 TRP A 329 -3.532 -11.221 1.656 1.00 0.00 C ATOM 0 H TRP A 329 0.224 -8.064 -2.952 1.00 0.00 H new ATOM 0 HA TRP A 329 2.543 -9.503 -2.303 1.00 0.00 H new ATOM 0 HB2 TRP A 329 1.322 -10.169 -0.355 1.00 0.00 H new ATOM 0 HB3 TRP A 329 0.824 -8.532 -0.737 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.112 -9.914 -3.229 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -3.453 -10.731 -2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 329 -0.282 -10.221 1.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -4.740 -11.400 -0.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -2.125 -10.957 3.258 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -4.322 -11.544 2.318 1.00 0.00 H new ATOM 628 N LEU A 330 1.359 -12.087 -2.186 1.00 0.00 N ATOM 629 CA LEU A 330 1.204 -13.466 -2.637 1.00 0.00 C ATOM 630 C LEU A 330 -0.139 -13.666 -3.338 1.00 0.00 C ATOM 631 O LEU A 330 -1.187 -13.315 -2.796 1.00 0.00 O ATOM 632 CB LEU A 330 1.316 -14.426 -1.453 1.00 0.00 C ATOM 633 CG LEU A 330 0.460 -14.050 -0.248 1.00 0.00 C ATOM 634 CD1 LEU A 330 -0.872 -14.782 -0.289 1.00 0.00 C ATOM 635 CD2 LEU A 330 1.198 -14.346 1.048 1.00 0.00 C ATOM 0 H LEU A 330 1.520 -11.985 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 330 2.001 -13.678 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 330 1.034 -15.425 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 330 2.359 -14.476 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 330 0.262 -12.979 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -1.469 -14.501 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -1.407 -14.513 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -0.697 -15.858 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 330 0.570 -14.071 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 330 1.431 -15.410 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 330 2.123 -13.770 1.080 1.00 0.00 H new ATOM 647 N PRO A 331 -0.128 -14.235 -4.559 1.00 0.00 N ATOM 648 CA PRO A 331 -1.354 -14.476 -5.326 1.00 0.00 C ATOM 649 C PRO A 331 -2.165 -15.642 -4.772 1.00 0.00 C ATOM 650 O PRO A 331 -1.766 -16.284 -3.800 1.00 0.00 O ATOM 651 CB PRO A 331 -0.832 -14.806 -6.725 1.00 0.00 C ATOM 652 CG PRO A 331 0.517 -15.391 -6.492 1.00 0.00 C ATOM 653 CD PRO A 331 1.075 -14.686 -5.286 1.00 0.00 C ATOM 0 HA PRO A 331 -2.030 -13.621 -5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -1.487 -15.511 -7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -0.775 -13.913 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 331 0.451 -16.465 -6.320 1.00 0.00 H new ATOM 0 HG3 PRO A 331 1.160 -15.246 -7.360 1.00 0.00 H new ATOM 0 HD2 PRO A 331 1.684 -15.354 -4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 331 1.710 -13.847 -5.570 1.00 0.00 H new ATOM 661 N GLU A 332 -3.307 -15.911 -5.396 1.00 0.00 N ATOM 662 CA GLU A 332 -4.175 -17.001 -4.968 1.00 0.00 C ATOM 663 C GLU A 332 -3.444 -18.338 -5.028 1.00 0.00 C ATOM 664 O GLU A 332 -3.185 -18.868 -6.109 1.00 0.00 O ATOM 665 CB GLU A 332 -5.428 -17.051 -5.844 1.00 0.00 C ATOM 666 CG GLU A 332 -5.130 -17.246 -7.322 1.00 0.00 C ATOM 667 CD GLU A 332 -5.668 -16.119 -8.181 1.00 0.00 C ATOM 668 OE1 GLU A 332 -5.394 -14.943 -7.857 1.00 0.00 O ATOM 669 OE2 GLU A 332 -6.362 -16.409 -9.177 1.00 0.00 O ATOM 0 H GLU A 332 -3.653 -15.388 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 332 -4.467 -16.816 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -6.069 -17.863 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -5.989 -16.126 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -4.052 -17.323 -7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -5.563 -18.189 -7.654 1.00 0.00 H new ATOM 676 N ASP A 333 -3.113 -18.879 -3.859 1.00 0.00 N ATOM 677 CA ASP A 333 -2.411 -20.154 -3.778 1.00 0.00 C ATOM 678 C ASP A 333 -2.313 -20.630 -2.332 1.00 0.00 C ATOM 679 O ASP A 333 -1.878 -19.887 -1.451 1.00 0.00 O ATOM 680 CB ASP A 333 -1.011 -20.028 -4.385 1.00 0.00 C ATOM 681 CG ASP A 333 -0.689 -21.167 -5.332 1.00 0.00 C ATOM 682 OD1 ASP A 333 -1.097 -22.313 -5.046 1.00 0.00 O ATOM 683 OD2 ASP A 333 -0.027 -20.915 -6.361 1.00 0.00 O ATOM 0 H ASP A 333 -3.320 -18.454 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 333 -2.979 -20.891 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -0.933 -19.081 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -0.271 -20.004 -3.585 1.00 0.00 H new ATOM 688 N LYS A 334 -2.721 -21.872 -2.094 1.00 0.00 N ATOM 689 CA LYS A 334 -2.679 -22.446 -0.753 1.00 0.00 C ATOM 690 C LYS A 334 -1.872 -23.739 -0.739 1.00 0.00 C ATOM 691 O LYS A 334 -2.340 -24.780 -1.204 1.00 0.00 O ATOM 692 CB LYS A 334 -4.098 -22.712 -0.245 1.00 0.00 C ATOM 693 CG LYS A 334 -4.944 -21.456 -0.123 1.00 0.00 C ATOM 694 CD LYS A 334 -5.892 -21.534 1.063 1.00 0.00 C ATOM 695 CE LYS A 334 -6.137 -20.163 1.672 1.00 0.00 C ATOM 696 NZ LYS A 334 -7.394 -19.547 1.166 1.00 0.00 N ATOM 0 H LYS A 334 -3.084 -22.500 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 334 -2.192 -21.728 -0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -4.593 -23.409 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -4.041 -23.198 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -4.294 -20.588 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -5.517 -21.312 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -6.840 -21.966 0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -5.476 -22.200 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -6.188 -20.252 2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -5.295 -19.509 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -7.524 -18.613 1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -7.336 -19.439 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -8.201 -20.158 1.405 1.00 0.00 H new ATOM 710 N GLY A 335 -0.657 -23.668 -0.206 1.00 0.00 N ATOM 711 CA GLY A 335 0.196 -24.840 -0.142 1.00 0.00 C ATOM 712 C GLY A 335 1.599 -24.512 0.328 1.00 0.00 C ATOM 713 O GLY A 335 2.370 -23.929 -0.465 1.00 0.00 O ATOM 714 OXT GLY A 335 1.929 -24.836 1.488 1.00 0.00 O ATOM 0 H GLY A 335 -0.247 -22.819 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -0.248 -25.572 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 335 0.245 -25.304 -1.127 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.305 3.048 1.042 1.00 0.00 ZN