USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 305 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 384 SER OG : rot -32:sc= 0.2 USER MOD Single : A 390 ASN : amide:sc= -0.753! X(o=-0.75!,f=-0.5) USER MOD Single : A 391 LYS NZ :NH3+ -122:sc= 1.29 (180deg=-0.246) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0.00956 USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 399 SER OG : rot -79:sc= 0.746 USER MOD Single : A 402 LYS NZ :NH3+ -158:sc= 0.935 (180deg=0.393) USER MOD Single : A 405 SER OG : rot -72:sc= 0.102 USER MOD Single : A 407 HIS : no HE2:sc= 0.0861 K(o=0.086,f=-4.9!) USER MOD Single : A 408 LYS NZ :NH3+ -167:sc= 1.06 (180deg=0.729) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -0.552 K(o=-0.55,f=-2.6) USER MOD Single : A 418 GLN :FLIP amide:sc= -0.401 F(o=-4.3!,f=-0.4) USER MOD Single : A 420 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3!) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ -171:sc=-0.00458 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -6.014 11.891 -1.310 1.00 0.00 N ATOM 33 CA SER A 384 -4.705 11.293 -1.512 1.00 0.00 C ATOM 34 C SER A 384 -4.707 9.833 -1.064 1.00 0.00 C ATOM 35 O SER A 384 -4.090 9.483 -0.058 1.00 0.00 O ATOM 36 CB SER A 384 -3.648 12.087 -0.741 1.00 0.00 C ATOM 37 OG SER A 384 -4.029 12.251 0.619 1.00 0.00 O ATOM 0 HA SER A 384 -4.465 11.322 -2.575 1.00 0.00 H new ATOM 0 HB2 SER A 384 -2.689 11.571 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 384 -3.511 13.064 -1.205 1.00 0.00 H new ATOM 0 HG SER A 384 -5.005 12.309 0.681 1.00 0.00 H new ATOM 43 N PRO A 385 -5.434 8.960 -1.789 1.00 0.00 N ATOM 44 CA PRO A 385 -5.546 7.542 -1.437 1.00 0.00 C ATOM 45 C PRO A 385 -4.187 6.848 -1.370 1.00 0.00 C ATOM 46 O PRO A 385 -3.945 6.023 -0.488 1.00 0.00 O ATOM 47 CB PRO A 385 -6.404 6.943 -2.558 1.00 0.00 C ATOM 48 CG PRO A 385 -6.394 7.953 -3.654 1.00 0.00 C ATOM 49 CD PRO A 385 -6.226 9.287 -2.988 1.00 0.00 C ATOM 0 HA PRO A 385 -5.981 7.411 -0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -5.996 5.991 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.420 6.749 -2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -5.580 7.761 -4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -7.321 7.917 -4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -5.708 9.998 -3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.186 9.733 -2.729 1.00 0.00 H new ATOM 57 N GLU A 386 -3.293 7.214 -2.281 1.00 0.00 N ATOM 58 CA GLU A 386 -1.954 6.646 -2.295 1.00 0.00 C ATOM 59 C GLU A 386 -1.164 7.119 -1.083 1.00 0.00 C ATOM 60 O GLU A 386 -0.584 6.311 -0.356 1.00 0.00 O ATOM 61 CB GLU A 386 -1.215 7.029 -3.575 1.00 0.00 C ATOM 62 CG GLU A 386 0.165 6.400 -3.688 1.00 0.00 C ATOM 63 CD GLU A 386 0.951 6.913 -4.875 1.00 0.00 C ATOM 64 OE1 GLU A 386 0.451 7.801 -5.594 1.00 0.00 O ATOM 65 OE2 GLU A 386 2.082 6.434 -5.095 1.00 0.00 O ATOM 0 H GLU A 386 -3.472 7.899 -3.016 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.048 5.561 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -1.814 6.729 -4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.116 8.114 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.725 6.599 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 386 0.060 5.318 -3.768 1.00 0.00 H new ATOM 72 N ALA A 387 -1.151 8.433 -0.874 1.00 0.00 N ATOM 73 CA ALA A 387 -0.414 9.041 0.230 1.00 0.00 C ATOM 74 C ALA A 387 -0.830 8.451 1.572 1.00 0.00 C ATOM 75 O ALA A 387 0.011 8.224 2.442 1.00 0.00 O ATOM 76 CB ALA A 387 -0.605 10.549 0.240 1.00 0.00 C ATOM 0 H ALA A 387 -1.648 9.103 -1.461 1.00 0.00 H new ATOM 0 HA ALA A 387 0.642 8.821 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.047 10.981 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.241 10.968 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -1.664 10.781 0.355 1.00 0.00 H new ATOM 82 N GLU A 388 -2.124 8.187 1.731 1.00 0.00 N ATOM 83 CA GLU A 388 -2.636 7.612 2.970 1.00 0.00 C ATOM 84 C GLU A 388 -1.995 6.257 3.249 1.00 0.00 C ATOM 85 O GLU A 388 -1.590 5.983 4.376 1.00 0.00 O ATOM 86 CB GLU A 388 -4.160 7.477 2.923 1.00 0.00 C ATOM 87 CG GLU A 388 -4.880 8.809 2.783 1.00 0.00 C ATOM 88 CD GLU A 388 -6.375 8.702 3.005 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.028 7.863 2.347 1.00 0.00 O ATOM 90 OE2 GLU A 388 -6.907 9.475 3.832 1.00 0.00 O ATOM 0 H GLU A 388 -2.834 8.361 1.020 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.375 8.291 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.435 6.834 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.502 6.981 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.462 9.518 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.694 9.213 1.788 1.00 0.00 H new ATOM 97 N CYS A 389 -1.892 5.410 2.232 1.00 0.00 N ATOM 98 CA CYS A 389 -1.293 4.094 2.401 1.00 0.00 C ATOM 99 C CYS A 389 0.235 4.141 2.375 1.00 0.00 C ATOM 100 O CYS A 389 0.888 3.264 2.931 1.00 0.00 O ATOM 101 CB CYS A 389 -1.823 3.133 1.344 1.00 0.00 C ATOM 102 SG CYS A 389 -3.520 2.566 1.689 1.00 0.00 S ATOM 0 H CYS A 389 -2.214 5.611 1.285 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.580 3.731 3.388 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.800 3.623 0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.162 2.269 1.282 1.00 0.00 H new ATOM 107 N ASN A 390 0.798 5.185 1.767 1.00 0.00 N ATOM 108 CA ASN A 390 2.259 5.354 1.695 1.00 0.00 C ATOM 109 C ASN A 390 2.907 5.276 3.080 1.00 0.00 C ATOM 110 O ASN A 390 4.083 4.935 3.206 1.00 0.00 O ATOM 111 CB ASN A 390 2.618 6.695 1.044 1.00 0.00 C ATOM 112 CG ASN A 390 2.533 6.689 -0.477 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.596 7.742 -1.111 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.429 5.514 -1.086 1.00 0.00 N ATOM 0 H ASN A 390 0.268 5.930 1.315 1.00 0.00 H new ATOM 0 HA ASN A 390 2.645 4.537 1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.951 7.465 1.432 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.630 6.971 1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.400 5.468 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.379 4.657 -0.535 1.00 0.00 H new ATOM 121 N LYS A 391 2.146 5.641 4.107 1.00 0.00 N ATOM 122 CA LYS A 391 2.643 5.653 5.482 1.00 0.00 C ATOM 123 C LYS A 391 3.013 4.249 5.975 1.00 0.00 C ATOM 124 O LYS A 391 3.835 4.102 6.881 1.00 0.00 O ATOM 125 CB LYS A 391 1.594 6.259 6.421 1.00 0.00 C ATOM 126 CG LYS A 391 0.354 5.393 6.592 1.00 0.00 C ATOM 127 CD LYS A 391 -0.621 5.991 7.594 1.00 0.00 C ATOM 128 CE LYS A 391 -1.809 5.068 7.842 1.00 0.00 C ATOM 129 NZ LYS A 391 -2.673 4.923 6.639 1.00 0.00 N ATOM 0 H LYS A 391 1.174 5.935 4.013 1.00 0.00 H new ATOM 0 HA LYS A 391 3.546 6.263 5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 391 2.047 6.426 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.295 7.234 6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.142 5.275 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.649 4.397 6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -0.105 6.181 8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -0.978 6.953 7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -1.446 4.086 8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -2.403 5.458 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -3.642 5.221 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.301 5.518 5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -2.680 3.929 6.334 1.00 0.00 H new ATOM 143 N ILE A 392 2.312 3.236 5.473 1.00 0.00 N ATOM 144 CA ILE A 392 2.473 1.873 5.969 1.00 0.00 C ATOM 145 C ILE A 392 3.881 1.349 5.717 1.00 0.00 C ATOM 146 O ILE A 392 4.424 1.484 4.616 1.00 0.00 O ATOM 147 CB ILE A 392 1.445 0.910 5.338 1.00 0.00 C ATOM 148 CG1 ILE A 392 0.017 1.424 5.554 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.595 -0.492 5.916 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.385 1.537 7.012 1.00 0.00 C ATOM 0 H ILE A 392 1.627 3.334 4.723 1.00 0.00 H new ATOM 0 HA ILE A 392 2.299 1.913 7.044 1.00 0.00 H new ATOM 0 HB ILE A 392 1.638 0.865 4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.081 2.403 5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.679 0.756 5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.861 -1.155 5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.599 -0.865 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.433 -0.461 6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.408 1.907 7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.322 0.556 7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.286 2.229 7.522 1.00 0.00 H new ATOM 162 N THR A 393 4.483 0.800 6.761 1.00 0.00 N ATOM 163 CA THR A 393 5.841 0.293 6.694 1.00 0.00 C ATOM 164 C THR A 393 5.866 -1.229 6.598 1.00 0.00 C ATOM 165 O THR A 393 6.777 -1.807 6.005 1.00 0.00 O ATOM 166 CB THR A 393 6.651 0.747 7.920 1.00 0.00 C ATOM 167 OG1 THR A 393 5.826 0.695 9.094 1.00 0.00 O ATOM 168 CG2 THR A 393 7.181 2.160 7.728 1.00 0.00 C ATOM 0 H THR A 393 4.043 0.694 7.675 1.00 0.00 H new ATOM 0 HA THR A 393 6.295 0.702 5.791 1.00 0.00 H new ATOM 0 HB THR A 393 7.500 0.074 8.039 1.00 0.00 H new ATOM 0 HG1 THR A 393 6.347 0.983 9.873 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.750 2.458 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.827 2.190 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.346 2.846 7.587 1.00 0.00 H new ATOM 176 N GLU A 394 4.905 -1.876 7.245 1.00 0.00 N ATOM 177 CA GLU A 394 4.850 -3.333 7.272 1.00 0.00 C ATOM 178 C GLU A 394 4.102 -3.897 6.070 1.00 0.00 C ATOM 179 O GLU A 394 2.975 -3.488 5.778 1.00 0.00 O ATOM 180 CB GLU A 394 4.197 -3.825 8.561 1.00 0.00 C ATOM 181 CG GLU A 394 5.083 -3.669 9.782 1.00 0.00 C ATOM 182 CD GLU A 394 4.480 -4.281 11.028 1.00 0.00 C ATOM 183 OE1 GLU A 394 3.346 -4.798 10.960 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.141 -4.248 12.090 1.00 0.00 O ATOM 0 H GLU A 394 4.153 -1.416 7.758 1.00 0.00 H new ATOM 0 HA GLU A 394 5.879 -3.691 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.269 -3.276 8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 394 3.930 -4.876 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.049 -4.134 9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.269 -2.609 9.957 1.00 0.00 H new ATOM 191 N GLU A 395 4.674 -4.942 5.479 1.00 0.00 N ATOM 192 CA GLU A 395 4.021 -5.692 4.418 1.00 0.00 C ATOM 193 C GLU A 395 2.722 -6.331 4.925 1.00 0.00 C ATOM 194 O GLU A 395 1.679 -6.165 4.300 1.00 0.00 O ATOM 195 CB GLU A 395 4.963 -6.765 3.863 1.00 0.00 C ATOM 196 CG GLU A 395 4.413 -7.492 2.649 1.00 0.00 C ATOM 197 CD GLU A 395 5.353 -8.562 2.133 1.00 0.00 C ATOM 198 OE1 GLU A 395 6.540 -8.258 1.885 1.00 0.00 O ATOM 199 OE2 GLU A 395 4.905 -9.710 1.943 1.00 0.00 O ATOM 0 H GLU A 395 5.601 -5.290 5.723 1.00 0.00 H new ATOM 0 HA GLU A 395 3.771 -4.999 3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.913 -6.300 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.172 -7.493 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.457 -7.947 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 395 4.220 -6.770 1.855 1.00 0.00 H new ATOM 206 N PRO A 396 2.744 -7.046 6.079 1.00 0.00 N ATOM 207 CA PRO A 396 1.535 -7.659 6.645 1.00 0.00 C ATOM 208 C PRO A 396 0.389 -6.661 6.803 1.00 0.00 C ATOM 209 O PRO A 396 -0.762 -6.986 6.526 1.00 0.00 O ATOM 210 CB PRO A 396 1.991 -8.165 8.013 1.00 0.00 C ATOM 211 CG PRO A 396 3.453 -8.379 7.866 1.00 0.00 C ATOM 212 CD PRO A 396 3.925 -7.307 6.931 1.00 0.00 C ATOM 0 HA PRO A 396 1.142 -8.442 5.996 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.774 -7.439 8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.481 -9.089 8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.958 -8.309 8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.666 -9.370 7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.236 -6.412 7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.780 -7.637 6.341 1.00 0.00 H new ATOM 220 N LYS A 397 0.714 -5.433 7.192 1.00 0.00 N ATOM 221 CA LYS A 397 -0.298 -4.395 7.331 1.00 0.00 C ATOM 222 C LYS A 397 -0.757 -3.877 5.974 1.00 0.00 C ATOM 223 O LYS A 397 -1.949 -3.753 5.729 1.00 0.00 O ATOM 224 CB LYS A 397 0.212 -3.229 8.183 1.00 0.00 C ATOM 225 CG LYS A 397 0.370 -3.561 9.661 1.00 0.00 C ATOM 226 CD LYS A 397 -0.872 -4.232 10.239 1.00 0.00 C ATOM 227 CE LYS A 397 -2.134 -3.406 10.025 1.00 0.00 C ATOM 228 NZ LYS A 397 -2.175 -2.190 10.881 1.00 0.00 N ATOM 0 H LYS A 397 1.663 -5.134 7.415 1.00 0.00 H new ATOM 0 HA LYS A 397 -1.150 -4.851 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.174 -2.900 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.477 -2.390 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 397 1.230 -4.217 9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 397 0.578 -2.647 10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -1.000 -5.211 9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -0.727 -4.399 11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -2.197 -3.111 8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -3.008 -4.023 10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -3.053 -1.665 10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -2.143 -2.469 11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -1.358 -1.585 10.664 1.00 0.00 H new ATOM 242 N CYS A 398 0.189 -3.538 5.109 1.00 0.00 N ATOM 243 CA CYS A 398 -0.145 -2.974 3.804 1.00 0.00 C ATOM 244 C CYS A 398 -0.918 -3.976 2.957 1.00 0.00 C ATOM 245 O CYS A 398 -1.821 -3.608 2.210 1.00 0.00 O ATOM 246 CB CYS A 398 1.118 -2.535 3.068 1.00 0.00 C ATOM 247 SG CYS A 398 0.798 -1.638 1.516 1.00 0.00 S ATOM 0 H CYS A 398 1.189 -3.642 5.284 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.777 -2.102 3.971 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.708 -1.899 3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.723 -3.415 2.849 1.00 0.00 H new ATOM 252 N SER A 399 -0.546 -5.240 3.072 1.00 0.00 N ATOM 253 CA SER A 399 -1.172 -6.298 2.301 1.00 0.00 C ATOM 254 C SER A 399 -2.654 -6.441 2.664 1.00 0.00 C ATOM 255 O SER A 399 -3.485 -6.730 1.802 1.00 0.00 O ATOM 256 CB SER A 399 -0.418 -7.611 2.528 1.00 0.00 C ATOM 257 OG SER A 399 -0.373 -7.948 3.904 1.00 0.00 O ATOM 0 H SER A 399 0.193 -5.559 3.698 1.00 0.00 H new ATOM 0 HA SER A 399 -1.122 -6.042 1.243 1.00 0.00 H new ATOM 0 HB2 SER A 399 -0.903 -8.412 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 399 0.597 -7.522 2.140 1.00 0.00 H new ATOM 0 HG SER A 399 0.328 -7.425 4.346 1.00 0.00 H new ATOM 263 N GLU A 400 -2.985 -6.214 3.935 1.00 0.00 N ATOM 264 CA GLU A 400 -4.369 -6.301 4.389 1.00 0.00 C ATOM 265 C GLU A 400 -5.097 -4.964 4.237 1.00 0.00 C ATOM 266 O GLU A 400 -6.326 -4.910 4.326 1.00 0.00 O ATOM 267 CB GLU A 400 -4.443 -6.787 5.841 1.00 0.00 C ATOM 268 CG GLU A 400 -3.692 -5.914 6.828 1.00 0.00 C ATOM 269 CD GLU A 400 -3.855 -6.385 8.255 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.985 -6.320 8.780 1.00 0.00 O ATOM 271 OE2 GLU A 400 -2.859 -6.836 8.857 1.00 0.00 O ATOM 0 H GLU A 400 -2.315 -5.970 4.664 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.871 -7.031 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -5.489 -6.839 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.045 -7.801 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.633 -5.906 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.048 -4.887 6.744 1.00 0.00 H new ATOM 278 N GLU A 401 -4.343 -3.894 3.975 1.00 0.00 N ATOM 279 CA GLU A 401 -4.940 -2.579 3.751 1.00 0.00 C ATOM 280 C GLU A 401 -5.893 -2.630 2.571 1.00 0.00 C ATOM 281 O GLU A 401 -5.544 -3.132 1.499 1.00 0.00 O ATOM 282 CB GLU A 401 -3.872 -1.517 3.487 1.00 0.00 C ATOM 283 CG GLU A 401 -3.068 -1.123 4.711 1.00 0.00 C ATOM 284 CD GLU A 401 -3.909 -0.444 5.775 1.00 0.00 C ATOM 285 OE1 GLU A 401 -4.405 0.675 5.528 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.088 -1.023 6.864 1.00 0.00 O ATOM 0 H GLU A 401 -3.325 -3.913 3.913 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.484 -2.308 4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.189 -1.887 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.353 -0.627 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.602 -2.012 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.262 -0.454 4.410 1.00 0.00 H new ATOM 293 N LYS A 402 -7.103 -2.151 2.783 1.00 0.00 N ATOM 294 CA LYS A 402 -8.111 -2.169 1.744 1.00 0.00 C ATOM 295 C LYS A 402 -7.666 -1.320 0.567 1.00 0.00 C ATOM 296 O LYS A 402 -7.234 -0.182 0.741 1.00 0.00 O ATOM 297 CB LYS A 402 -9.455 -1.676 2.289 1.00 0.00 C ATOM 298 CG LYS A 402 -9.915 -2.431 3.528 1.00 0.00 C ATOM 299 CD LYS A 402 -10.087 -3.915 3.252 1.00 0.00 C ATOM 300 CE LYS A 402 -10.215 -4.709 4.541 1.00 0.00 C ATOM 301 NZ LYS A 402 -8.949 -4.712 5.321 1.00 0.00 N ATOM 0 H LYS A 402 -7.411 -1.745 3.666 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.240 -3.196 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.376 -0.615 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.212 -1.773 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.189 -2.292 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.859 -2.014 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -10.973 -4.072 2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -9.234 -4.281 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -11.015 -4.286 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -10.500 -5.735 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -8.941 -5.528 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -8.140 -4.777 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -8.879 -3.833 5.873 1.00 0.00 H new ATOM 315 N ILE A 403 -7.734 -1.925 -0.616 1.00 0.00 N ATOM 316 CA ILE A 403 -7.358 -1.301 -1.888 1.00 0.00 C ATOM 317 C ILE A 403 -5.968 -0.635 -1.847 1.00 0.00 C ATOM 318 O ILE A 403 -5.690 0.314 -2.585 1.00 0.00 O ATOM 319 CB ILE A 403 -8.461 -0.318 -2.385 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.270 0.011 -3.866 1.00 0.00 C ATOM 321 CG2 ILE A 403 -8.504 0.965 -1.565 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.463 0.713 -4.481 1.00 0.00 C ATOM 0 H ILE A 403 -8.059 -2.886 -0.723 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.279 -2.108 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.417 -0.825 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.388 0.641 -3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.077 -0.911 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -9.288 1.617 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -8.712 0.724 -0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -7.543 1.474 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.262 0.918 -5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.343 0.076 -4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.643 1.651 -3.957 1.00 0.00 H new ATOM 334 N CYS A 404 -5.033 -1.269 -1.147 1.00 0.00 N ATOM 335 CA CYS A 404 -3.642 -0.840 -1.172 1.00 0.00 C ATOM 336 C CYS A 404 -2.719 -2.047 -1.263 1.00 0.00 C ATOM 337 O CYS A 404 -3.084 -3.143 -0.843 1.00 0.00 O ATOM 338 CB CYS A 404 -3.320 0.020 0.046 1.00 0.00 C ATOM 339 SG CYS A 404 -4.095 1.669 -0.030 1.00 0.00 S ATOM 0 H CYS A 404 -5.214 -2.081 -0.556 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.480 -0.226 -2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.656 -0.493 0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -2.239 0.135 0.129 1.00 0.00 H new ATOM 344 N SER A 405 -1.632 -1.889 -2.005 1.00 0.00 N ATOM 345 CA SER A 405 -0.771 -3.008 -2.346 1.00 0.00 C ATOM 346 C SER A 405 0.661 -2.760 -1.896 1.00 0.00 C ATOM 347 O SER A 405 1.138 -1.623 -1.905 1.00 0.00 O ATOM 348 CB SER A 405 -0.806 -3.242 -3.862 1.00 0.00 C ATOM 349 OG SER A 405 0.008 -4.341 -4.242 1.00 0.00 O ATOM 0 H SER A 405 -1.326 -0.992 -2.383 1.00 0.00 H new ATOM 0 HA SER A 405 -1.140 -3.893 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.833 -3.423 -4.179 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.467 -2.343 -4.377 1.00 0.00 H new ATOM 0 HG SER A 405 0.952 -4.091 -4.164 1.00 0.00 H new ATOM 355 N TRP A 406 1.362 -3.842 -1.578 1.00 0.00 N ATOM 356 CA TRP A 406 2.769 -3.765 -1.238 1.00 0.00 C ATOM 357 C TRP A 406 3.611 -3.697 -2.518 1.00 0.00 C ATOM 358 O TRP A 406 3.080 -3.777 -3.631 1.00 0.00 O ATOM 359 CB TRP A 406 3.181 -4.966 -0.378 1.00 0.00 C ATOM 360 CG TRP A 406 4.538 -4.816 0.250 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.640 -5.579 0.003 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.936 -3.849 1.233 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.695 -5.144 0.760 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.291 -4.088 1.528 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.279 -2.808 1.894 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.999 -3.321 2.448 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.982 -2.048 2.808 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.330 -2.309 3.078 1.00 0.00 C ATOM 0 H TRP A 406 0.973 -4.784 -1.550 1.00 0.00 H new ATOM 0 HA TRP A 406 2.944 -2.860 -0.657 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.440 -5.111 0.408 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.172 -5.865 -0.995 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.676 -6.407 -0.690 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.633 -5.544 0.752 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.238 -2.601 1.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.040 -3.518 2.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.484 -1.240 3.322 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.853 -1.698 3.799 1.00 0.00 H new ATOM 379 N HIS A 407 4.897 -3.436 -2.346 1.00 0.00 N ATOM 380 CA HIS A 407 5.819 -3.215 -3.450 1.00 0.00 C ATOM 381 C HIS A 407 7.221 -3.579 -2.972 1.00 0.00 C ATOM 382 O HIS A 407 7.908 -2.747 -2.385 1.00 0.00 O ATOM 383 CB HIS A 407 5.757 -1.737 -3.850 1.00 0.00 C ATOM 384 CG HIS A 407 6.114 -1.424 -5.263 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.305 -1.782 -5.848 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.447 -0.701 -6.190 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.359 -1.285 -7.066 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.241 -0.633 -7.300 1.00 0.00 N ATOM 0 H HIS A 407 5.335 -3.371 -1.427 1.00 0.00 H new ATOM 0 HA HIS A 407 5.558 -3.826 -4.314 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.747 -1.373 -3.663 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.424 -1.176 -3.195 1.00 0.00 H new ATOM 0 HD1 HIS A 407 8.033 -2.345 -5.408 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.468 -0.259 -6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.182 -1.394 -7.756 1.00 0.00 H new ATOM 397 N LYS A 408 7.517 -4.875 -2.996 1.00 0.00 N ATOM 398 CA LYS A 408 8.718 -5.412 -2.350 1.00 0.00 C ATOM 399 C LYS A 408 9.991 -4.718 -2.830 1.00 0.00 C ATOM 400 O LYS A 408 10.715 -4.122 -2.032 1.00 0.00 O ATOM 401 CB LYS A 408 8.813 -6.922 -2.582 1.00 0.00 C ATOM 402 CG LYS A 408 7.714 -7.711 -1.887 1.00 0.00 C ATOM 403 CD LYS A 408 7.735 -9.176 -2.283 1.00 0.00 C ATOM 404 CE LYS A 408 6.726 -9.986 -1.482 1.00 0.00 C ATOM 405 NZ LYS A 408 7.116 -10.109 -0.053 1.00 0.00 N ATOM 0 H LYS A 408 6.941 -5.579 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 408 8.628 -5.217 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.771 -7.121 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.782 -7.276 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.832 -7.625 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.744 -7.281 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 408 7.516 -9.269 -3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 408 8.735 -9.582 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 408 5.746 -9.513 -1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.632 -10.980 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 6.533 -10.839 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 8.119 -10.376 0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 6.969 -9.198 0.427 1.00 0.00 H new ATOM 419 N GLU A 409 10.231 -4.737 -4.131 1.00 0.00 N ATOM 420 CA GLU A 409 11.367 -4.020 -4.693 1.00 0.00 C ATOM 421 C GLU A 409 10.907 -2.651 -5.162 1.00 0.00 C ATOM 422 O GLU A 409 9.873 -2.538 -5.816 1.00 0.00 O ATOM 423 CB GLU A 409 11.992 -4.804 -5.851 1.00 0.00 C ATOM 424 CG GLU A 409 13.203 -4.126 -6.483 1.00 0.00 C ATOM 425 CD GLU A 409 14.318 -3.840 -5.491 1.00 0.00 C ATOM 426 OE1 GLU A 409 14.102 -3.045 -4.553 1.00 0.00 O ATOM 427 OE2 GLU A 409 15.426 -4.388 -5.660 1.00 0.00 O ATOM 0 H GLU A 409 9.661 -5.236 -4.814 1.00 0.00 H new ATOM 0 HA GLU A 409 12.131 -3.904 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 409 12.288 -5.789 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.235 -4.961 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 409 13.590 -4.760 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.887 -3.190 -6.944 1.00 0.00 H new ATOM 434 N VAL A 410 11.638 -1.611 -4.797 1.00 0.00 N ATOM 435 CA VAL A 410 11.246 -0.256 -5.152 1.00 0.00 C ATOM 436 C VAL A 410 12.431 0.579 -5.608 1.00 0.00 C ATOM 437 O VAL A 410 13.403 0.761 -4.870 1.00 0.00 O ATOM 438 CB VAL A 410 10.557 0.473 -3.975 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.152 -0.052 -3.758 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.373 0.337 -2.698 1.00 0.00 C ATOM 0 H VAL A 410 12.501 -1.677 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 410 10.540 -0.360 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 410 10.493 1.530 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.690 0.478 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.561 0.106 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.193 -1.118 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.867 0.858 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.477 -0.718 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.361 0.773 -2.849 1.00 0.00 H new ATOM 450 N LYS A 411 12.268 1.219 -6.753 1.00 0.00 N ATOM 451 CA LYS A 411 13.220 2.210 -7.207 1.00 0.00 C ATOM 452 C LYS A 411 13.013 3.484 -6.399 1.00 0.00 C ATOM 453 O LYS A 411 11.869 3.851 -6.114 1.00 0.00 O ATOM 454 CB LYS A 411 13.029 2.480 -8.702 1.00 0.00 C ATOM 455 CG LYS A 411 13.929 3.574 -9.251 1.00 0.00 C ATOM 456 CD LYS A 411 13.769 3.738 -10.755 1.00 0.00 C ATOM 457 CE LYS A 411 14.621 4.882 -11.281 1.00 0.00 C ATOM 458 NZ LYS A 411 14.622 4.940 -12.767 1.00 0.00 N ATOM 0 H LYS A 411 11.482 1.067 -7.385 1.00 0.00 H new ATOM 0 HA LYS A 411 14.237 1.847 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 411 13.215 1.559 -9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 411 11.989 2.754 -8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 411 13.697 4.517 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.968 3.340 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 411 14.051 2.812 -11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 411 12.722 3.923 -10.993 1.00 0.00 H new ATOM 0 HE2 LYS A 411 14.248 5.825 -10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 411 15.644 4.767 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 15.215 5.734 -13.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 15.002 4.051 -13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 13.650 5.076 -13.110 1.00 0.00 H new ATOM 472 N ALA A 412 14.105 4.099 -5.954 1.00 0.00 N ATOM 473 CA ALA A 412 14.019 5.289 -5.117 1.00 0.00 C ATOM 474 C ALA A 412 13.189 6.363 -5.805 1.00 0.00 C ATOM 475 O ALA A 412 13.529 6.822 -6.898 1.00 0.00 O ATOM 476 CB ALA A 412 15.408 5.812 -4.783 1.00 0.00 C ATOM 0 H ALA A 412 15.056 3.793 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 412 13.525 5.019 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.322 6.701 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 412 15.967 5.044 -4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.932 6.066 -5.704 1.00 0.00 H new ATOM 482 N GLY A 413 12.027 6.633 -5.237 1.00 0.00 N ATOM 483 CA GLY A 413 11.089 7.539 -5.858 1.00 0.00 C ATOM 484 C GLY A 413 9.658 7.100 -5.636 1.00 0.00 C ATOM 485 O GLY A 413 8.792 7.914 -5.314 1.00 0.00 O ATOM 0 H GLY A 413 11.715 6.237 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.229 8.542 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.291 7.595 -6.928 1.00 0.00 H new ATOM 489 N GLU A 414 9.422 5.798 -5.759 1.00 0.00 N ATOM 490 CA GLU A 414 8.101 5.230 -5.523 1.00 0.00 C ATOM 491 C GLU A 414 7.873 4.997 -4.030 1.00 0.00 C ATOM 492 O GLU A 414 8.320 5.788 -3.196 1.00 0.00 O ATOM 493 CB GLU A 414 7.942 3.919 -6.301 1.00 0.00 C ATOM 494 CG GLU A 414 8.164 4.070 -7.799 1.00 0.00 C ATOM 495 CD GLU A 414 7.803 2.829 -8.584 1.00 0.00 C ATOM 496 OE1 GLU A 414 7.424 1.815 -7.967 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.906 2.862 -9.829 1.00 0.00 O ATOM 0 H GLU A 414 10.132 5.114 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 414 7.352 5.939 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 414 8.647 3.186 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 414 6.941 3.523 -6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 414 7.571 4.908 -8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.210 4.316 -7.982 1.00 0.00 H new ATOM 504 N LYS A 415 7.174 3.922 -3.690 1.00 0.00 N ATOM 505 CA LYS A 415 6.899 3.606 -2.298 1.00 0.00 C ATOM 506 C LYS A 415 6.482 2.149 -2.169 1.00 0.00 C ATOM 507 O LYS A 415 5.791 1.621 -3.044 1.00 0.00 O ATOM 508 CB LYS A 415 5.792 4.514 -1.754 1.00 0.00 C ATOM 509 CG LYS A 415 5.758 4.596 -0.236 1.00 0.00 C ATOM 510 CD LYS A 415 6.998 5.290 0.306 1.00 0.00 C ATOM 511 CE LYS A 415 6.964 5.399 1.821 1.00 0.00 C ATOM 512 NZ LYS A 415 8.146 6.126 2.350 1.00 0.00 N ATOM 0 H LYS A 415 6.788 3.256 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 415 7.806 3.772 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.925 5.517 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.828 4.151 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.867 5.138 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.687 3.592 0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 415 7.887 4.738 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.077 6.286 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 415 6.054 5.914 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 415 6.927 4.400 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 8.085 6.179 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 9.014 5.621 2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 8.168 7.088 1.955 1.00 0.00 H new ATOM 526 N ASN A 416 6.947 1.486 -1.113 1.00 0.00 N ATOM 527 CA ASN A 416 6.640 0.075 -0.901 1.00 0.00 C ATOM 528 C ASN A 416 5.139 -0.118 -0.706 1.00 0.00 C ATOM 529 O ASN A 416 4.517 -0.916 -1.387 1.00 0.00 O ATOM 530 CB ASN A 416 7.391 -0.484 0.310 1.00 0.00 C ATOM 531 CG ASN A 416 8.897 -0.508 0.124 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.541 0.534 -0.007 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.468 -1.701 0.116 1.00 0.00 N ATOM 0 H ASN A 416 7.537 1.903 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 416 6.964 -0.470 -1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.150 0.116 1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.040 -1.496 0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.478 -1.782 -0.002 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.898 -2.540 0.228 1.00 0.00 H new ATOM 540 N CYS A 417 4.537 0.674 0.156 1.00 0.00 N ATOM 541 CA CYS A 417 3.095 0.623 0.303 1.00 0.00 C ATOM 542 C CYS A 417 2.464 1.754 -0.492 1.00 0.00 C ATOM 543 O CYS A 417 2.852 2.914 -0.345 1.00 0.00 O ATOM 544 CB CYS A 417 2.684 0.715 1.769 1.00 0.00 C ATOM 545 SG CYS A 417 0.931 0.312 2.059 1.00 0.00 S ATOM 0 H CYS A 417 5.011 1.349 0.756 1.00 0.00 H new ATOM 0 HA CYS A 417 2.742 -0.334 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.306 0.039 2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.881 1.724 2.131 1.00 0.00 H new ATOM 550 N GLN A 418 1.532 1.418 -1.372 1.00 0.00 N ATOM 551 CA GLN A 418 0.903 2.417 -2.219 1.00 0.00 C ATOM 552 C GLN A 418 -0.511 1.989 -2.590 1.00 0.00 C ATOM 553 O GLN A 418 -0.912 0.845 -2.354 1.00 0.00 O ATOM 554 CB GLN A 418 1.740 2.671 -3.490 1.00 0.00 C ATOM 555 CG GLN A 418 1.435 1.740 -4.663 1.00 0.00 C ATOM 556 CD GLN A 418 1.906 0.310 -4.457 1.00 0.00 C ATOM 557 OE1 GLN A 418 2.890 0.121 -3.596 1.00 0.00 O flip ATOM 558 NE2 GLN A 418 1.414 -0.611 -5.109 1.00 0.00 N flip ATOM 0 H GLN A 418 1.197 0.466 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 418 0.848 3.349 -1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.580 3.700 -3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.796 2.577 -3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 418 0.359 1.735 -4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 418 1.904 2.140 -5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 418 0.655 -0.423 -5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 418 1.765 -1.562 -4.994 1.00 0.00 H new ATOM 567 N PHE A 419 -1.276 2.931 -3.117 1.00 0.00 N ATOM 568 CA PHE A 419 -2.656 2.680 -3.498 1.00 0.00 C ATOM 569 C PHE A 419 -2.725 1.625 -4.602 1.00 0.00 C ATOM 570 O PHE A 419 -2.018 1.712 -5.605 1.00 0.00 O ATOM 571 CB PHE A 419 -3.311 3.978 -3.972 1.00 0.00 C ATOM 572 CG PHE A 419 -4.800 3.885 -4.084 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.561 3.558 -2.977 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.438 4.112 -5.291 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.934 3.456 -3.075 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.811 4.010 -5.394 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.559 3.678 -4.284 1.00 0.00 C ATOM 0 H PHE A 419 -0.961 3.885 -3.292 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.194 2.305 -2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.055 4.780 -3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.897 4.252 -4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.077 3.381 -2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.855 4.372 -6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.520 3.202 -2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.298 4.190 -6.341 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.633 3.592 -4.361 1.00 0.00 H new ATOM 587 N ASN A 420 -3.568 0.621 -4.402 1.00 0.00 N ATOM 588 CA ASN A 420 -3.724 -0.459 -5.371 1.00 0.00 C ATOM 589 C ASN A 420 -4.614 -0.011 -6.528 1.00 0.00 C ATOM 590 O ASN A 420 -4.341 -0.328 -7.684 1.00 0.00 O ATOM 591 CB ASN A 420 -4.332 -1.690 -4.689 1.00 0.00 C ATOM 592 CG ASN A 420 -4.326 -2.928 -5.544 1.00 0.00 C ATOM 593 OD1 ASN A 420 -4.508 -2.880 -6.758 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.170 -4.058 -4.900 1.00 0.00 N ATOM 0 H ASN A 420 -4.157 0.531 -3.574 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.742 -0.718 -5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.782 -1.893 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -5.359 -1.464 -4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -4.197 -4.942 -5.408 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.021 -4.054 -3.891 1.00 0.00 H new ATOM 601 N SER A 421 -5.695 0.697 -6.182 1.00 0.00 N ATOM 602 CA SER A 421 -6.686 1.199 -7.142 1.00 0.00 C ATOM 603 C SER A 421 -7.725 0.130 -7.484 1.00 0.00 C ATOM 604 O SER A 421 -8.899 0.445 -7.679 1.00 0.00 O ATOM 605 CB SER A 421 -6.025 1.754 -8.416 1.00 0.00 C ATOM 606 OG SER A 421 -6.972 2.393 -9.255 1.00 0.00 O ATOM 0 H SER A 421 -5.909 0.941 -5.215 1.00 0.00 H new ATOM 0 HA SER A 421 -7.204 2.027 -6.658 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.243 2.462 -8.143 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.544 0.942 -8.961 1.00 0.00 H new ATOM 0 HG SER A 421 -6.521 2.736 -10.055 1.00 0.00 H new ATOM 612 N THR A 422 -7.332 -1.133 -7.444 1.00 0.00 N ATOM 613 CA THR A 422 -8.280 -2.216 -7.653 1.00 0.00 C ATOM 614 C THR A 422 -7.964 -3.392 -6.729 1.00 0.00 C ATOM 615 O THR A 422 -6.991 -4.116 -6.928 1.00 0.00 O ATOM 616 CB THR A 422 -8.311 -2.673 -9.135 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.086 -3.873 -9.274 1.00 0.00 O ATOM 618 CG2 THR A 422 -6.907 -2.898 -9.683 1.00 0.00 C ATOM 0 H THR A 422 -6.372 -1.432 -7.270 1.00 0.00 H new ATOM 0 HA THR A 422 -9.273 -1.838 -7.408 1.00 0.00 H new ATOM 0 HB THR A 422 -8.776 -1.875 -9.713 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.097 -4.148 -10.215 1.00 0.00 H new ATOM 0 HG21 THR A 422 -6.969 -3.217 -10.723 1.00 0.00 H new ATOM 0 HG22 THR A 422 -6.339 -1.969 -9.622 1.00 0.00 H new ATOM 0 HG23 THR A 422 -6.407 -3.668 -9.096 1.00 0.00 H new ATOM 626 N LYS A 423 -8.770 -3.535 -5.682 1.00 0.00 N ATOM 627 CA LYS A 423 -8.557 -4.576 -4.680 1.00 0.00 C ATOM 628 C LYS A 423 -9.701 -4.605 -3.673 1.00 0.00 C ATOM 629 O LYS A 423 -9.995 -5.651 -3.098 1.00 0.00 O ATOM 630 CB LYS A 423 -7.231 -4.352 -3.940 1.00 0.00 C ATOM 631 CG LYS A 423 -6.958 -5.360 -2.832 1.00 0.00 C ATOM 632 CD LYS A 423 -6.933 -6.787 -3.360 1.00 0.00 C ATOM 633 CE LYS A 423 -6.692 -7.793 -2.245 1.00 0.00 C ATOM 634 NZ LYS A 423 -5.347 -7.631 -1.634 1.00 0.00 N ATOM 0 H LYS A 423 -9.580 -2.941 -5.504 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.520 -5.533 -5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.414 -4.391 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -7.231 -3.349 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.003 -5.131 -2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -7.725 -5.271 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.879 -7.010 -3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -6.151 -6.883 -4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -7.456 -7.674 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -6.792 -8.804 -2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -5.161 -8.425 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -4.625 -7.617 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -5.312 -6.737 -1.103 1.00 0.00 H new ATOM 648 N ALA A 424 -10.292 -3.440 -3.406 1.00 0.00 N ATOM 649 CA ALA A 424 -11.346 -3.315 -2.396 1.00 0.00 C ATOM 650 C ALA A 424 -12.665 -3.963 -2.832 1.00 0.00 C ATOM 651 O ALA A 424 -13.742 -3.387 -2.653 1.00 0.00 O ATOM 652 CB ALA A 424 -11.568 -1.850 -2.053 1.00 0.00 C ATOM 0 H ALA A 424 -10.058 -2.566 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 424 -11.007 -3.853 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -12.353 -1.767 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -10.644 -1.424 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -11.866 -1.307 -2.950 1.00 0.00 H new