USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 346 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 383 LYS NZ :NH3+ -126:sc= -0.512 (180deg=-2.21!) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN : amide:sc= -0.928! K(o=-0.93!,f=-0.21) USER MOD Single : A 391 LYS NZ :NH3+ -137:sc= 1.2 (180deg=-0.341) USER MOD Single : A 393 THR OG1 : rot -45:sc= 0.49 USER MOD Single : A 397 LYS NZ :NH3+ -159:sc= -0.0852 (180deg=-0.507) USER MOD Single : A 399 SER OG : rot -79:sc= 0.526 USER MOD Single : A 402 LYS NZ :NH3+ -166:sc= -0.0385 (180deg=-0.279) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= -1.84 X(o=-1.8,f=-1.5) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ -165:sc= -0.0413 (180deg=-0.263) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.3) USER MOD Single : A 418 GLN : amide:sc= 0.795 K(o=0.79,f=-0.3) USER MOD Single : A 420 ASN : amide:sc= -2.66! C(o=-2.7!,f=-9!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 70:sc= 0.156 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 SER OG : rot -37:sc= 0.00891 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -7.330 13.394 6.086 1.00 0.00 N ATOM 2 CA GLY A 382 -6.594 12.661 5.030 1.00 0.00 C ATOM 3 C GLY A 382 -6.176 13.565 3.891 1.00 0.00 C ATOM 4 O GLY A 382 -5.916 14.753 4.099 1.00 0.00 O ATOM 0 HA2 GLY A 382 -5.710 12.194 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -7.222 11.858 4.643 1.00 0.00 H new ATOM 10 N LYS A 383 -6.173 13.020 2.679 1.00 0.00 N ATOM 11 CA LYS A 383 -5.802 13.778 1.489 1.00 0.00 C ATOM 12 C LYS A 383 -6.043 12.950 0.232 1.00 0.00 C ATOM 13 O LYS A 383 -6.564 13.456 -0.765 1.00 0.00 O ATOM 14 CB LYS A 383 -4.333 14.209 1.561 1.00 0.00 C ATOM 15 CG LYS A 383 -3.862 14.995 0.348 1.00 0.00 C ATOM 16 CD LYS A 383 -2.450 15.547 0.526 1.00 0.00 C ATOM 17 CE LYS A 383 -1.411 14.446 0.704 1.00 0.00 C ATOM 18 NZ LYS A 383 -1.309 13.985 2.116 1.00 0.00 N ATOM 0 H LYS A 383 -6.425 12.049 2.494 1.00 0.00 H new ATOM 0 HA LYS A 383 -6.426 14.671 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -4.186 14.816 2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -3.709 13.322 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -3.890 14.352 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -4.551 15.819 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -2.188 16.152 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -2.428 16.207 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -1.669 13.600 0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -0.439 14.811 0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -0.320 14.049 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -1.905 14.585 2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -1.631 12.998 2.183 1.00 0.00 H new ATOM 32 N SER A 384 -5.667 11.681 0.288 1.00 0.00 N ATOM 33 CA SER A 384 -5.846 10.768 -0.829 1.00 0.00 C ATOM 34 C SER A 384 -5.489 9.349 -0.402 1.00 0.00 C ATOM 35 O SER A 384 -4.590 9.154 0.417 1.00 0.00 O ATOM 36 CB SER A 384 -4.986 11.197 -2.023 1.00 0.00 C ATOM 37 OG SER A 384 -3.639 11.409 -1.636 1.00 0.00 O ATOM 0 H SER A 384 -5.231 11.257 1.107 1.00 0.00 H new ATOM 0 HA SER A 384 -6.892 10.794 -1.136 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.028 10.432 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.391 12.112 -2.456 1.00 0.00 H new ATOM 0 HG SER A 384 -3.113 11.680 -2.417 1.00 0.00 H new ATOM 43 N PRO A 385 -6.222 8.344 -0.909 1.00 0.00 N ATOM 44 CA PRO A 385 -6.013 6.939 -0.537 1.00 0.00 C ATOM 45 C PRO A 385 -4.566 6.487 -0.736 1.00 0.00 C ATOM 46 O PRO A 385 -4.000 5.790 0.110 1.00 0.00 O ATOM 47 CB PRO A 385 -6.948 6.177 -1.475 1.00 0.00 C ATOM 48 CG PRO A 385 -8.013 7.157 -1.831 1.00 0.00 C ATOM 49 CD PRO A 385 -7.348 8.506 -1.848 1.00 0.00 C ATOM 0 HA PRO A 385 -6.217 6.767 0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.420 5.828 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.367 5.297 -0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.448 6.924 -2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.825 7.132 -1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.003 8.771 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.029 9.294 -1.526 1.00 0.00 H new ATOM 57 N GLU A 386 -3.964 6.910 -1.845 1.00 0.00 N ATOM 58 CA GLU A 386 -2.577 6.567 -2.137 1.00 0.00 C ATOM 59 C GLU A 386 -1.656 7.096 -1.047 1.00 0.00 C ATOM 60 O GLU A 386 -0.879 6.342 -0.471 1.00 0.00 O ATOM 61 CB GLU A 386 -2.145 7.139 -3.488 1.00 0.00 C ATOM 62 CG GLU A 386 -0.749 6.703 -3.909 1.00 0.00 C ATOM 63 CD GLU A 386 -0.231 7.476 -5.101 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.058 8.707 -4.987 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.003 6.860 -6.161 1.00 0.00 O ATOM 0 H GLU A 386 -4.414 7.489 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.505 5.480 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.860 6.830 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.179 8.227 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.064 6.833 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.762 5.640 -4.148 1.00 0.00 H new ATOM 72 N ALA A 387 -1.776 8.389 -0.758 1.00 0.00 N ATOM 73 CA ALA A 387 -0.944 9.040 0.246 1.00 0.00 C ATOM 74 C ALA A 387 -1.150 8.427 1.625 1.00 0.00 C ATOM 75 O ALA A 387 -0.193 8.255 2.381 1.00 0.00 O ATOM 76 CB ALA A 387 -1.225 10.531 0.278 1.00 0.00 C ATOM 0 H ALA A 387 -2.448 9.010 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 387 0.098 8.884 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.596 11.004 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.007 10.963 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.274 10.698 0.523 1.00 0.00 H new ATOM 82 N GLU A 388 -2.393 8.075 1.940 1.00 0.00 N ATOM 83 CA GLU A 388 -2.703 7.450 3.217 1.00 0.00 C ATOM 84 C GLU A 388 -1.982 6.113 3.346 1.00 0.00 C ATOM 85 O GLU A 388 -1.271 5.885 4.322 1.00 0.00 O ATOM 86 CB GLU A 388 -4.212 7.260 3.391 1.00 0.00 C ATOM 87 CG GLU A 388 -4.972 8.570 3.539 1.00 0.00 C ATOM 88 CD GLU A 388 -4.430 9.439 4.658 1.00 0.00 C ATOM 89 OE1 GLU A 388 -4.398 8.979 5.821 1.00 0.00 O ATOM 90 OE2 GLU A 388 -4.035 10.589 4.386 1.00 0.00 O ATOM 0 H GLU A 388 -3.198 8.212 1.329 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.354 8.115 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.604 6.716 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.394 6.641 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.923 9.122 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.024 8.356 3.728 1.00 0.00 H new ATOM 97 N CYS A 389 -2.101 5.263 2.330 1.00 0.00 N ATOM 98 CA CYS A 389 -1.405 3.986 2.327 1.00 0.00 C ATOM 99 C CYS A 389 0.110 4.174 2.249 1.00 0.00 C ATOM 100 O CYS A 389 0.862 3.377 2.800 1.00 0.00 O ATOM 101 CB CYS A 389 -1.908 3.110 1.182 1.00 0.00 C ATOM 102 SG CYS A 389 -3.568 2.421 1.479 1.00 0.00 S ATOM 0 H CYS A 389 -2.671 5.437 1.502 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.621 3.482 3.269 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.925 3.698 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.205 2.292 1.024 1.00 0.00 H new ATOM 107 N ASN A 390 0.551 5.263 1.624 1.00 0.00 N ATOM 108 CA ASN A 390 1.977 5.580 1.530 1.00 0.00 C ATOM 109 C ASN A 390 2.617 5.668 2.913 1.00 0.00 C ATOM 110 O ASN A 390 3.799 5.368 3.071 1.00 0.00 O ATOM 111 CB ASN A 390 2.204 6.901 0.782 1.00 0.00 C ATOM 112 CG ASN A 390 2.107 6.775 -0.729 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.100 7.777 -1.444 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.063 5.555 -1.237 1.00 0.00 N ATOM 0 H ASN A 390 -0.060 5.944 1.173 1.00 0.00 H new ATOM 0 HA ASN A 390 2.447 4.770 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.471 7.632 1.124 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.188 7.291 1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.022 5.425 -2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.070 4.744 -0.618 1.00 0.00 H new ATOM 121 N LYS A 391 1.832 6.083 3.906 1.00 0.00 N ATOM 122 CA LYS A 391 2.319 6.216 5.279 1.00 0.00 C ATOM 123 C LYS A 391 2.782 4.869 5.828 1.00 0.00 C ATOM 124 O LYS A 391 3.737 4.801 6.605 1.00 0.00 O ATOM 125 CB LYS A 391 1.225 6.793 6.182 1.00 0.00 C ATOM 126 CG LYS A 391 0.726 8.157 5.739 1.00 0.00 C ATOM 127 CD LYS A 391 -0.291 8.735 6.712 1.00 0.00 C ATOM 128 CE LYS A 391 -1.504 7.831 6.862 1.00 0.00 C ATOM 129 NZ LYS A 391 -2.545 8.436 7.733 1.00 0.00 N ATOM 0 H LYS A 391 0.851 6.334 3.785 1.00 0.00 H new ATOM 0 HA LYS A 391 3.169 6.898 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.385 6.099 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.608 6.869 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 391 1.570 8.840 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.275 8.075 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 391 0.178 8.879 7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -0.610 9.717 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -1.928 7.627 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -1.193 6.874 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -2.922 7.712 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.127 9.210 8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -3.316 8.810 7.144 1.00 0.00 H new ATOM 143 N ILE A 392 2.079 3.812 5.440 1.00 0.00 N ATOM 144 CA ILE A 392 2.401 2.460 5.867 1.00 0.00 C ATOM 145 C ILE A 392 3.804 2.075 5.387 1.00 0.00 C ATOM 146 O ILE A 392 4.159 2.293 4.225 1.00 0.00 O ATOM 147 CB ILE A 392 1.367 1.434 5.327 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.022 1.618 5.971 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.857 0.014 5.571 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.711 2.928 5.660 1.00 0.00 C ATOM 0 H ILE A 392 1.270 3.870 4.821 1.00 0.00 H new ATOM 0 HA ILE A 392 2.368 2.439 6.956 1.00 0.00 H new ATOM 0 HB ILE A 392 1.267 1.611 4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.666 0.801 5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 392 0.083 1.529 7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 392 1.123 -0.695 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.808 -0.136 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.992 -0.146 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.679 2.958 6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.095 3.756 6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.856 3.016 4.583 1.00 0.00 H new ATOM 162 N THR A 393 4.617 1.558 6.296 1.00 0.00 N ATOM 163 CA THR A 393 5.992 1.212 5.983 1.00 0.00 C ATOM 164 C THR A 393 6.289 -0.235 6.395 1.00 0.00 C ATOM 165 O THR A 393 7.449 -0.642 6.508 1.00 0.00 O ATOM 166 CB THR A 393 6.973 2.192 6.676 1.00 0.00 C ATOM 167 OG1 THR A 393 8.315 1.995 6.204 1.00 0.00 O ATOM 168 CG2 THR A 393 6.938 2.030 8.189 1.00 0.00 C ATOM 0 H THR A 393 4.345 1.369 7.261 1.00 0.00 H new ATOM 0 HA THR A 393 6.131 1.297 4.905 1.00 0.00 H new ATOM 0 HB THR A 393 6.652 3.203 6.424 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.512 1.036 6.170 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.637 2.731 8.646 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.931 2.232 8.553 1.00 0.00 H new ATOM 0 HG23 THR A 393 7.222 1.011 8.452 1.00 0.00 H new ATOM 176 N GLU A 394 5.234 -1.043 6.461 1.00 0.00 N ATOM 177 CA GLU A 394 5.375 -2.471 6.730 1.00 0.00 C ATOM 178 C GLU A 394 4.446 -3.275 5.831 1.00 0.00 C ATOM 179 O GLU A 394 3.274 -2.927 5.671 1.00 0.00 O ATOM 180 CB GLU A 394 5.066 -2.791 8.197 1.00 0.00 C ATOM 181 CG GLU A 394 6.053 -2.185 9.177 1.00 0.00 C ATOM 182 CD GLU A 394 5.921 -2.748 10.577 1.00 0.00 C ATOM 183 OE1 GLU A 394 5.068 -3.638 10.793 1.00 0.00 O ATOM 184 OE2 GLU A 394 6.684 -2.318 11.466 1.00 0.00 O ATOM 0 H GLU A 394 4.271 -0.733 6.332 1.00 0.00 H new ATOM 0 HA GLU A 394 6.409 -2.746 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 394 4.065 -2.431 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 394 5.055 -3.873 8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 394 7.067 -2.358 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.906 -1.105 9.211 1.00 0.00 H new ATOM 191 N GLU A 395 4.973 -4.348 5.247 1.00 0.00 N ATOM 192 CA GLU A 395 4.200 -5.220 4.379 1.00 0.00 C ATOM 193 C GLU A 395 2.964 -5.760 5.110 1.00 0.00 C ATOM 194 O GLU A 395 1.863 -5.638 4.591 1.00 0.00 O ATOM 195 CB GLU A 395 5.086 -6.367 3.859 1.00 0.00 C ATOM 196 CG GLU A 395 4.554 -7.074 2.615 1.00 0.00 C ATOM 197 CD GLU A 395 3.466 -8.097 2.890 1.00 0.00 C ATOM 198 OE1 GLU A 395 3.240 -8.446 4.066 1.00 0.00 O ATOM 199 OE2 GLU A 395 2.855 -8.587 1.917 1.00 0.00 O ATOM 0 H GLU A 395 5.945 -4.633 5.364 1.00 0.00 H new ATOM 0 HA GLU A 395 3.849 -4.643 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.077 -5.970 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.207 -7.103 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.165 -6.325 1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 395 5.384 -7.571 2.112 1.00 0.00 H new ATOM 206 N PRO A 396 3.108 -6.339 6.332 1.00 0.00 N ATOM 207 CA PRO A 396 1.966 -6.883 7.083 1.00 0.00 C ATOM 208 C PRO A 396 0.842 -5.867 7.268 1.00 0.00 C ATOM 209 O PRO A 396 -0.338 -6.207 7.179 1.00 0.00 O ATOM 210 CB PRO A 396 2.566 -7.255 8.437 1.00 0.00 C ATOM 211 CG PRO A 396 4.006 -7.493 8.158 1.00 0.00 C ATOM 212 CD PRO A 396 4.377 -6.530 7.068 1.00 0.00 C ATOM 0 HA PRO A 396 1.508 -7.721 6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.430 -6.454 9.164 1.00 0.00 H new ATOM 0 HB3 PRO A 396 2.090 -8.144 8.850 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.610 -7.325 9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.179 -8.523 7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.752 -5.590 7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.158 -6.934 6.424 1.00 0.00 H new ATOM 220 N LYS A 397 1.214 -4.617 7.504 1.00 0.00 N ATOM 221 CA LYS A 397 0.235 -3.551 7.669 1.00 0.00 C ATOM 222 C LYS A 397 -0.420 -3.201 6.336 1.00 0.00 C ATOM 223 O LYS A 397 -1.632 -2.998 6.263 1.00 0.00 O ATOM 224 CB LYS A 397 0.891 -2.312 8.278 1.00 0.00 C ATOM 225 CG LYS A 397 1.298 -2.497 9.733 1.00 0.00 C ATOM 226 CD LYS A 397 1.891 -1.223 10.314 1.00 0.00 C ATOM 227 CE LYS A 397 2.072 -1.323 11.821 1.00 0.00 C ATOM 228 NZ LYS A 397 0.780 -1.543 12.522 1.00 0.00 N ATOM 0 H LYS A 397 2.185 -4.316 7.586 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.540 -3.907 8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.773 -2.052 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.201 -1.472 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.429 -2.795 10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 397 2.026 -3.305 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.854 -1.023 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.241 -0.380 10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 397 2.754 -2.142 12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.535 -0.409 12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 0.872 -1.257 13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 0.037 -0.976 12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 0.526 -2.550 12.473 1.00 0.00 H new ATOM 242 N CYS A 398 0.385 -3.117 5.288 1.00 0.00 N ATOM 243 CA CYS A 398 -0.121 -2.765 3.968 1.00 0.00 C ATOM 244 C CYS A 398 -0.978 -3.887 3.397 1.00 0.00 C ATOM 245 O CYS A 398 -2.024 -3.642 2.804 1.00 0.00 O ATOM 246 CB CYS A 398 1.030 -2.468 3.014 1.00 0.00 C ATOM 247 SG CYS A 398 0.527 -1.562 1.519 1.00 0.00 S ATOM 0 H CYS A 398 1.390 -3.287 5.324 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.736 -1.872 4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.787 -1.888 3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.497 -3.408 2.719 1.00 0.00 H new ATOM 252 N SER A 399 -0.531 -5.121 3.594 1.00 0.00 N ATOM 253 CA SER A 399 -1.255 -6.288 3.121 1.00 0.00 C ATOM 254 C SER A 399 -2.595 -6.406 3.843 1.00 0.00 C ATOM 255 O SER A 399 -3.589 -6.853 3.266 1.00 0.00 O ATOM 256 CB SER A 399 -0.402 -7.544 3.323 1.00 0.00 C ATOM 257 OG SER A 399 0.016 -7.667 4.671 1.00 0.00 O ATOM 0 H SER A 399 0.338 -5.337 4.083 1.00 0.00 H new ATOM 0 HA SER A 399 -1.458 -6.180 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 399 -0.974 -8.426 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 399 0.471 -7.503 2.671 1.00 0.00 H new ATOM 0 HG SER A 399 0.774 -7.068 4.834 1.00 0.00 H new ATOM 263 N GLU A 400 -2.628 -5.921 5.081 1.00 0.00 N ATOM 264 CA GLU A 400 -3.853 -5.873 5.864 1.00 0.00 C ATOM 265 C GLU A 400 -4.863 -4.946 5.198 1.00 0.00 C ATOM 266 O GLU A 400 -6.057 -5.245 5.147 1.00 0.00 O ATOM 267 CB GLU A 400 -3.557 -5.387 7.282 1.00 0.00 C ATOM 268 CG GLU A 400 -4.733 -5.525 8.232 1.00 0.00 C ATOM 269 CD GLU A 400 -4.468 -4.905 9.587 1.00 0.00 C ATOM 270 OE1 GLU A 400 -3.441 -4.212 9.743 1.00 0.00 O ATOM 271 OE2 GLU A 400 -5.291 -5.099 10.508 1.00 0.00 O ATOM 0 H GLU A 400 -1.809 -5.553 5.565 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.273 -6.878 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.712 -5.949 7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.254 -4.341 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.610 -5.055 7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.968 -6.581 8.361 1.00 0.00 H new ATOM 278 N GLU A 401 -4.361 -3.849 4.641 1.00 0.00 N ATOM 279 CA GLU A 401 -5.197 -2.909 3.909 1.00 0.00 C ATOM 280 C GLU A 401 -5.788 -3.587 2.677 1.00 0.00 C ATOM 281 O GLU A 401 -5.066 -3.996 1.765 1.00 0.00 O ATOM 282 CB GLU A 401 -4.378 -1.676 3.505 1.00 0.00 C ATOM 283 CG GLU A 401 -3.872 -0.868 4.693 1.00 0.00 C ATOM 284 CD GLU A 401 -4.973 -0.076 5.367 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.956 -0.685 5.836 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.861 1.165 5.439 1.00 0.00 O ATOM 0 H GLU A 401 -3.375 -3.590 4.684 1.00 0.00 H new ATOM 0 HA GLU A 401 -6.014 -2.584 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.527 -1.996 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.991 -1.033 2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.417 -1.542 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.091 -0.186 4.358 1.00 0.00 H new ATOM 293 N LYS A 402 -7.101 -3.775 2.692 1.00 0.00 N ATOM 294 CA LYS A 402 -7.790 -4.513 1.634 1.00 0.00 C ATOM 295 C LYS A 402 -8.034 -3.662 0.387 1.00 0.00 C ATOM 296 O LYS A 402 -9.054 -3.813 -0.286 1.00 0.00 O ATOM 297 CB LYS A 402 -9.114 -5.109 2.153 1.00 0.00 C ATOM 298 CG LYS A 402 -9.913 -4.215 3.106 1.00 0.00 C ATOM 299 CD LYS A 402 -10.361 -2.912 2.454 1.00 0.00 C ATOM 300 CE LYS A 402 -11.234 -2.090 3.391 1.00 0.00 C ATOM 301 NZ LYS A 402 -12.500 -2.793 3.724 1.00 0.00 N ATOM 0 H LYS A 402 -7.715 -3.426 3.428 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.129 -5.328 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.743 -5.351 1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -8.894 -6.047 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.789 -4.759 3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.304 -3.988 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -9.486 -2.329 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -10.913 -3.132 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.684 -1.878 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -11.462 -1.130 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -13.165 -2.123 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -12.920 -3.182 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -12.302 -3.567 4.389 1.00 0.00 H new ATOM 315 N ILE A 403 -7.091 -2.790 0.071 1.00 0.00 N ATOM 316 CA ILE A 403 -7.206 -1.926 -1.081 1.00 0.00 C ATOM 317 C ILE A 403 -5.887 -1.191 -1.349 1.00 0.00 C ATOM 318 O ILE A 403 -5.820 -0.279 -2.178 1.00 0.00 O ATOM 319 CB ILE A 403 -8.361 -0.937 -0.864 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.942 -0.492 -2.208 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.921 0.255 -0.020 1.00 0.00 C ATOM 322 CD1 ILE A 403 -10.200 0.339 -2.081 1.00 0.00 C ATOM 0 H ILE A 403 -6.231 -2.665 0.605 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.422 -2.531 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.148 -1.447 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -8.189 0.084 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -9.159 -1.374 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.762 0.936 0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.578 -0.095 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -7.108 0.778 -0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -10.554 0.618 -3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.969 -0.241 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.984 1.240 -1.507 1.00 0.00 H new ATOM 334 N CYS A 404 -4.809 -1.733 -0.803 1.00 0.00 N ATOM 335 CA CYS A 404 -3.473 -1.227 -1.075 1.00 0.00 C ATOM 336 C CYS A 404 -2.482 -2.377 -1.076 1.00 0.00 C ATOM 337 O CYS A 404 -2.621 -3.321 -0.302 1.00 0.00 O ATOM 338 CB CYS A 404 -3.075 -0.168 -0.045 1.00 0.00 C ATOM 339 SG CYS A 404 -3.991 1.399 -0.217 1.00 0.00 S ATOM 0 H CYS A 404 -4.835 -2.528 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.466 -0.755 -2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.239 -0.567 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -2.008 0.033 -0.137 1.00 0.00 H new ATOM 344 N SER A 405 -1.562 -2.354 -2.024 1.00 0.00 N ATOM 345 CA SER A 405 -0.630 -3.452 -2.204 1.00 0.00 C ATOM 346 C SER A 405 0.782 -3.017 -1.849 1.00 0.00 C ATOM 347 O SER A 405 1.139 -1.844 -1.990 1.00 0.00 O ATOM 348 CB SER A 405 -0.689 -3.956 -3.651 1.00 0.00 C ATOM 349 OG SER A 405 0.184 -5.054 -3.855 1.00 0.00 O ATOM 0 H SER A 405 -1.441 -1.585 -2.683 1.00 0.00 H new ATOM 0 HA SER A 405 -0.913 -4.266 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.710 -4.252 -3.893 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.422 -3.147 -4.330 1.00 0.00 H new ATOM 0 HG SER A 405 0.122 -5.353 -4.786 1.00 0.00 H new ATOM 355 N TRP A 406 1.582 -3.954 -1.367 1.00 0.00 N ATOM 356 CA TRP A 406 2.953 -3.654 -1.013 1.00 0.00 C ATOM 357 C TRP A 406 3.846 -3.746 -2.245 1.00 0.00 C ATOM 358 O TRP A 406 4.011 -4.815 -2.838 1.00 0.00 O ATOM 359 CB TRP A 406 3.450 -4.611 0.070 1.00 0.00 C ATOM 360 CG TRP A 406 4.777 -4.226 0.654 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.973 -4.850 0.452 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.038 -3.154 1.564 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.960 -4.225 1.164 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.413 -3.182 1.859 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.246 -2.171 2.154 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.009 -2.268 2.719 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.839 -1.263 3.008 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.208 -1.316 3.281 1.00 0.00 C ATOM 0 H TRP A 406 1.304 -4.923 -1.214 1.00 0.00 H new ATOM 0 HA TRP A 406 2.994 -2.638 -0.622 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.711 -4.656 0.870 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.526 -5.614 -0.351 1.00 0.00 H new ATOM 0 HD1 TRP A 406 6.120 -5.714 -0.180 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.944 -4.493 1.175 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.187 -2.120 1.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.066 -2.309 2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.234 -0.499 3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.642 -0.588 3.951 1.00 0.00 H new ATOM 379 N HIS A 407 4.447 -2.624 -2.591 1.00 0.00 N ATOM 380 CA HIS A 407 5.375 -2.535 -3.708 1.00 0.00 C ATOM 381 C HIS A 407 6.733 -3.075 -3.266 1.00 0.00 C ATOM 382 O HIS A 407 7.624 -2.307 -2.911 1.00 0.00 O ATOM 383 CB HIS A 407 5.481 -1.069 -4.154 1.00 0.00 C ATOM 384 CG HIS A 407 6.138 -0.849 -5.480 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.371 -1.359 -5.804 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.737 -0.129 -6.554 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.700 -0.964 -7.017 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.727 -0.220 -7.499 1.00 0.00 N ATOM 0 H HIS A 407 4.306 -1.740 -2.102 1.00 0.00 H new ATOM 0 HA HIS A 407 5.022 -3.128 -4.552 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.478 -0.644 -4.189 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.035 -0.515 -3.396 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.809 0.416 -6.649 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.617 -1.210 -7.531 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.712 0.216 -8.421 1.00 0.00 H new ATOM 397 N LYS A 408 6.798 -4.393 -3.111 1.00 0.00 N ATOM 398 CA LYS A 408 7.959 -5.071 -2.525 1.00 0.00 C ATOM 399 C LYS A 408 9.280 -4.622 -3.158 1.00 0.00 C ATOM 400 O LYS A 408 10.289 -4.473 -2.467 1.00 0.00 O ATOM 401 CB LYS A 408 7.811 -6.590 -2.689 1.00 0.00 C ATOM 402 CG LYS A 408 6.499 -7.150 -2.156 1.00 0.00 C ATOM 403 CD LYS A 408 6.361 -8.633 -2.454 1.00 0.00 C ATOM 404 CE LYS A 408 4.954 -9.138 -2.164 1.00 0.00 C ATOM 405 NZ LYS A 408 4.584 -9.028 -0.724 1.00 0.00 N ATOM 0 H LYS A 408 6.048 -5.027 -3.387 1.00 0.00 H new ATOM 0 HA LYS A 408 7.989 -4.802 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.897 -6.840 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.638 -7.082 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.444 -6.988 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.664 -6.610 -2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 408 6.606 -8.818 -3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.079 -9.193 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 408 4.240 -8.572 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 408 4.876 -10.180 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 3.617 -9.386 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 5.246 -9.589 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 4.630 -8.032 -0.429 1.00 0.00 H new ATOM 419 N GLU A 409 9.294 -4.496 -4.479 1.00 0.00 N ATOM 420 CA GLU A 409 10.517 -4.176 -5.208 1.00 0.00 C ATOM 421 C GLU A 409 10.498 -2.733 -5.715 1.00 0.00 C ATOM 422 O GLU A 409 10.281 -2.480 -6.902 1.00 0.00 O ATOM 423 CB GLU A 409 10.685 -5.149 -6.373 1.00 0.00 C ATOM 424 CG GLU A 409 12.019 -5.031 -7.087 1.00 0.00 C ATOM 425 CD GLU A 409 12.145 -6.013 -8.227 1.00 0.00 C ATOM 426 OE1 GLU A 409 12.099 -7.234 -7.972 1.00 0.00 O ATOM 427 OE2 GLU A 409 12.288 -5.568 -9.384 1.00 0.00 O ATOM 0 H GLU A 409 8.470 -4.611 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 409 11.363 -4.275 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.572 -6.168 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.883 -4.981 -7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.136 -4.017 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.827 -5.199 -6.374 1.00 0.00 H new ATOM 434 N VAL A 410 10.667 -1.785 -4.802 1.00 0.00 N ATOM 435 CA VAL A 410 10.638 -0.368 -5.156 1.00 0.00 C ATOM 436 C VAL A 410 11.913 0.073 -5.870 1.00 0.00 C ATOM 437 O VAL A 410 13.022 -0.116 -5.369 1.00 0.00 O ATOM 438 CB VAL A 410 10.422 0.529 -3.921 1.00 0.00 C ATOM 439 CG1 VAL A 410 8.976 0.470 -3.465 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.357 0.132 -2.787 1.00 0.00 C ATOM 0 H VAL A 410 10.826 -1.969 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 410 9.794 -0.251 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 410 10.653 1.555 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.843 1.109 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.326 0.815 -4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.718 -0.557 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.184 0.781 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.167 -0.903 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.391 0.234 -3.116 1.00 0.00 H new ATOM 450 N LYS A 411 11.745 0.725 -7.011 1.00 0.00 N ATOM 451 CA LYS A 411 12.869 1.297 -7.733 1.00 0.00 C ATOM 452 C LYS A 411 12.998 2.774 -7.386 1.00 0.00 C ATOM 453 O LYS A 411 11.991 3.477 -7.300 1.00 0.00 O ATOM 454 CB LYS A 411 12.683 1.119 -9.238 1.00 0.00 C ATOM 455 CG LYS A 411 13.892 1.546 -10.056 1.00 0.00 C ATOM 456 CD LYS A 411 13.667 1.331 -11.546 1.00 0.00 C ATOM 457 CE LYS A 411 13.566 -0.146 -11.895 1.00 0.00 C ATOM 458 NZ LYS A 411 14.819 -0.882 -11.574 1.00 0.00 N ATOM 0 H LYS A 411 10.839 0.871 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 411 13.782 0.779 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.465 0.072 -9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 411 11.816 1.696 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 411 14.105 2.598 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.767 0.981 -9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 411 12.753 1.840 -11.853 1.00 0.00 H new ATOM 0 HD3 LYS A 411 14.486 1.782 -12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 411 12.734 -0.591 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 411 13.345 -0.253 -12.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 14.810 -1.807 -12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 15.638 -0.332 -11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 14.886 -1.021 -10.546 1.00 0.00 H new ATOM 472 N ALA A 412 14.232 3.229 -7.181 1.00 0.00 N ATOM 473 CA ALA A 412 14.510 4.617 -6.841 1.00 0.00 C ATOM 474 C ALA A 412 13.698 5.072 -5.630 1.00 0.00 C ATOM 475 O ALA A 412 13.161 6.183 -5.600 1.00 0.00 O ATOM 476 CB ALA A 412 14.244 5.497 -8.043 1.00 0.00 C ATOM 0 H ALA A 412 15.065 2.644 -7.247 1.00 0.00 H new ATOM 0 HA ALA A 412 15.561 4.704 -6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 412 14.453 6.536 -7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 412 14.887 5.191 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 412 13.200 5.400 -8.341 1.00 0.00 H new ATOM 482 N GLY A 413 13.623 4.200 -4.631 1.00 0.00 N ATOM 483 CA GLY A 413 12.896 4.507 -3.414 1.00 0.00 C ATOM 484 C GLY A 413 11.396 4.329 -3.558 1.00 0.00 C ATOM 485 O GLY A 413 10.794 3.546 -2.820 1.00 0.00 O ATOM 0 H GLY A 413 14.057 3.277 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 413 13.257 3.865 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 413 13.108 5.535 -3.120 1.00 0.00 H new ATOM 489 N GLU A 414 10.821 4.971 -4.576 1.00 0.00 N ATOM 490 CA GLU A 414 9.400 4.858 -4.895 1.00 0.00 C ATOM 491 C GLU A 414 8.530 4.948 -3.637 1.00 0.00 C ATOM 492 O GLU A 414 8.854 5.681 -2.698 1.00 0.00 O ATOM 493 CB GLU A 414 9.172 3.543 -5.626 1.00 0.00 C ATOM 494 CG GLU A 414 8.665 3.705 -7.051 1.00 0.00 C ATOM 495 CD GLU A 414 7.425 4.569 -7.140 1.00 0.00 C ATOM 496 OE1 GLU A 414 6.391 4.205 -6.541 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.480 5.617 -7.815 1.00 0.00 O ATOM 0 H GLU A 414 11.333 5.588 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 414 9.108 5.691 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 414 10.107 2.984 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 414 8.455 2.946 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 414 9.452 4.144 -7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.447 2.722 -7.468 1.00 0.00 H new ATOM 504 N LYS A 415 7.493 4.129 -3.590 1.00 0.00 N ATOM 505 CA LYS A 415 6.654 4.002 -2.409 1.00 0.00 C ATOM 506 C LYS A 415 6.197 2.565 -2.283 1.00 0.00 C ATOM 507 O LYS A 415 5.666 1.996 -3.239 1.00 0.00 O ATOM 508 CB LYS A 415 5.438 4.929 -2.481 1.00 0.00 C ATOM 509 CG LYS A 415 5.712 6.340 -1.997 1.00 0.00 C ATOM 510 CD LYS A 415 6.152 6.350 -0.540 1.00 0.00 C ATOM 511 CE LYS A 415 6.380 7.769 -0.048 1.00 0.00 C ATOM 512 NZ LYS A 415 6.936 7.812 1.330 1.00 0.00 N ATOM 0 H LYS A 415 7.209 3.534 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 415 7.239 4.291 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.086 4.971 -3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.631 4.501 -1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.486 6.795 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 415 4.814 6.947 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.394 5.866 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.069 5.772 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 415 7.062 8.280 -0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 415 5.437 8.315 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.073 8.802 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 6.275 7.349 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 7.850 7.316 1.351 1.00 0.00 H new ATOM 526 N ASN A 416 6.519 1.944 -1.162 1.00 0.00 N ATOM 527 CA ASN A 416 6.223 0.533 -0.978 1.00 0.00 C ATOM 528 C ASN A 416 4.722 0.320 -0.814 1.00 0.00 C ATOM 529 O ASN A 416 4.071 -0.222 -1.695 1.00 0.00 O ATOM 530 CB ASN A 416 6.971 -0.047 0.224 1.00 0.00 C ATOM 531 CG ASN A 416 8.464 -0.196 -0.014 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.183 0.789 -0.173 1.00 0.00 O ATOM 533 ND2 ASN A 416 8.940 -1.431 -0.041 1.00 0.00 N ATOM 0 H ASN A 416 6.982 2.390 -0.370 1.00 0.00 H new ATOM 0 HA ASN A 416 6.563 0.007 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 416 6.810 0.597 1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.550 -1.022 0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 416 9.935 -1.591 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.312 -2.223 0.095 1.00 0.00 H new ATOM 540 N CYS A 417 4.145 0.844 0.248 1.00 0.00 N ATOM 541 CA CYS A 417 2.703 0.756 0.399 1.00 0.00 C ATOM 542 C CYS A 417 2.041 1.843 -0.421 1.00 0.00 C ATOM 543 O CYS A 417 2.458 3.000 -0.373 1.00 0.00 O ATOM 544 CB CYS A 417 2.280 0.868 1.857 1.00 0.00 C ATOM 545 SG CYS A 417 0.549 0.369 2.133 1.00 0.00 S ATOM 0 H CYS A 417 4.635 1.324 1.003 1.00 0.00 H new ATOM 0 HA CYS A 417 2.384 -0.223 0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 417 2.934 0.247 2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.414 1.897 2.191 1.00 0.00 H new ATOM 550 N GLN A 418 1.073 1.463 -1.240 1.00 0.00 N ATOM 551 CA GLN A 418 0.440 2.407 -2.141 1.00 0.00 C ATOM 552 C GLN A 418 -0.918 1.904 -2.602 1.00 0.00 C ATOM 553 O GLN A 418 -1.192 0.702 -2.579 1.00 0.00 O ATOM 554 CB GLN A 418 1.354 2.701 -3.341 1.00 0.00 C ATOM 555 CG GLN A 418 2.067 1.477 -3.905 1.00 0.00 C ATOM 556 CD GLN A 418 1.175 0.610 -4.765 1.00 0.00 C ATOM 557 OE1 GLN A 418 0.618 1.075 -5.759 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.040 -0.655 -4.401 1.00 0.00 N ATOM 0 H GLN A 418 0.711 0.511 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 418 0.278 3.337 -1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 418 0.759 3.156 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.101 3.436 -3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 418 2.923 1.803 -4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.457 0.880 -3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.519 -1.000 -3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.457 -1.285 -4.952 1.00 0.00 H new ATOM 567 N PHE A 419 -1.785 2.846 -2.935 1.00 0.00 N ATOM 568 CA PHE A 419 -3.142 2.538 -3.356 1.00 0.00 C ATOM 569 C PHE A 419 -3.122 1.802 -4.690 1.00 0.00 C ATOM 570 O PHE A 419 -2.532 2.281 -5.657 1.00 0.00 O ATOM 571 CB PHE A 419 -3.946 3.834 -3.488 1.00 0.00 C ATOM 572 CG PHE A 419 -5.435 3.646 -3.407 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.999 3.014 -2.315 1.00 0.00 C ATOM 574 CD2 PHE A 419 -6.264 4.097 -4.419 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.365 2.832 -2.232 1.00 0.00 C ATOM 576 CE2 PHE A 419 -7.632 3.918 -4.342 1.00 0.00 C ATOM 577 CZ PHE A 419 -8.183 3.284 -3.249 1.00 0.00 C ATOM 0 H PHE A 419 -1.569 3.843 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.611 1.898 -2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.635 4.523 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.702 4.305 -4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.364 2.658 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -5.837 4.594 -5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.793 2.337 -1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -8.269 4.275 -5.138 1.00 0.00 H new ATOM 0 HZ PHE A 419 -9.252 3.141 -3.188 1.00 0.00 H new ATOM 587 N ASN A 420 -3.790 0.658 -4.750 1.00 0.00 N ATOM 588 CA ASN A 420 -3.875 -0.093 -5.997 1.00 0.00 C ATOM 589 C ASN A 420 -4.951 0.503 -6.899 1.00 0.00 C ATOM 590 O ASN A 420 -4.968 0.267 -8.106 1.00 0.00 O ATOM 591 CB ASN A 420 -4.129 -1.590 -5.752 1.00 0.00 C ATOM 592 CG ASN A 420 -5.392 -1.892 -4.958 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.483 -1.412 -5.269 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.261 -2.741 -3.955 1.00 0.00 N ATOM 0 H ASN A 420 -4.276 0.233 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.911 -0.013 -6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -4.189 -2.098 -6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.273 -2.009 -5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -6.078 -3.018 -3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.343 -3.120 -3.724 1.00 0.00 H new ATOM 601 N SER A 421 -5.797 1.340 -6.300 1.00 0.00 N ATOM 602 CA SER A 421 -6.835 2.069 -7.020 1.00 0.00 C ATOM 603 C SER A 421 -7.879 1.127 -7.619 1.00 0.00 C ATOM 604 O SER A 421 -7.964 0.962 -8.836 1.00 0.00 O ATOM 605 CB SER A 421 -6.215 2.969 -8.093 1.00 0.00 C ATOM 606 OG SER A 421 -5.192 3.785 -7.541 1.00 0.00 O ATOM 0 H SER A 421 -5.780 1.531 -5.298 1.00 0.00 H new ATOM 0 HA SER A 421 -7.355 2.703 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.804 2.356 -8.895 1.00 0.00 H new ATOM 0 HB3 SER A 421 -6.987 3.597 -8.537 1.00 0.00 H new ATOM 0 HG SER A 421 -4.809 4.350 -8.244 1.00 0.00 H new ATOM 612 N THR A 422 -8.704 0.562 -6.740 1.00 0.00 N ATOM 613 CA THR A 422 -9.832 -0.276 -7.142 1.00 0.00 C ATOM 614 C THR A 422 -9.363 -1.578 -7.815 1.00 0.00 C ATOM 615 O THR A 422 -10.109 -2.223 -8.552 1.00 0.00 O ATOM 616 CB THR A 422 -10.793 0.516 -8.068 1.00 0.00 C ATOM 617 OG1 THR A 422 -11.025 1.819 -7.508 1.00 0.00 O ATOM 618 CG2 THR A 422 -12.131 -0.192 -8.234 1.00 0.00 C ATOM 0 H THR A 422 -8.610 0.672 -5.730 1.00 0.00 H new ATOM 0 HA THR A 422 -10.375 -0.558 -6.240 1.00 0.00 H new ATOM 0 HB THR A 422 -10.323 0.593 -9.048 1.00 0.00 H new ATOM 0 HG1 THR A 422 -11.630 2.323 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 422 -12.774 0.395 -8.889 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.970 -1.177 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A 422 -12.608 -0.301 -7.260 1.00 0.00 H new ATOM 626 N LYS A 423 -8.192 -2.053 -7.419 1.00 0.00 N ATOM 627 CA LYS A 423 -7.740 -3.370 -7.838 1.00 0.00 C ATOM 628 C LYS A 423 -8.222 -4.411 -6.838 1.00 0.00 C ATOM 629 O LYS A 423 -8.782 -5.438 -7.215 1.00 0.00 O ATOM 630 CB LYS A 423 -6.218 -3.421 -7.959 1.00 0.00 C ATOM 631 CG LYS A 423 -5.662 -2.594 -9.109 1.00 0.00 C ATOM 632 CD LYS A 423 -5.931 -3.236 -10.464 1.00 0.00 C ATOM 633 CE LYS A 423 -5.211 -4.571 -10.603 1.00 0.00 C ATOM 634 NZ LYS A 423 -5.242 -5.083 -11.998 1.00 0.00 N ATOM 0 H LYS A 423 -7.543 -1.551 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.159 -3.584 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.777 -3.070 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.908 -4.458 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.106 -1.599 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.588 -2.467 -8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.003 -3.385 -10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.607 -2.563 -11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -4.175 -4.458 -10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -5.673 -5.302 -9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -4.740 -5.993 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -6.229 -5.216 -12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -4.778 -4.399 -12.629 1.00 0.00 H new ATOM 648 N ALA A 424 -8.065 -4.097 -5.554 1.00 0.00 N ATOM 649 CA ALA A 424 -8.540 -4.973 -4.492 1.00 0.00 C ATOM 650 C ALA A 424 -10.060 -4.927 -4.400 1.00 0.00 C ATOM 651 O ALA A 424 -10.747 -5.826 -4.880 1.00 0.00 O ATOM 652 CB ALA A 424 -7.911 -4.585 -3.162 1.00 0.00 C ATOM 0 H ALA A 424 -7.613 -3.243 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.243 -5.995 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -8.277 -5.249 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -6.827 -4.671 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -8.179 -3.557 -2.919 1.00 0.00 H new ATOM 658 N SER A 425 -10.581 -3.836 -3.863 1.00 0.00 N ATOM 659 CA SER A 425 -12.017 -3.640 -3.787 1.00 0.00 C ATOM 660 C SER A 425 -12.525 -2.989 -5.070 1.00 0.00 C ATOM 661 O SER A 425 -12.212 -1.830 -5.355 1.00 0.00 O ATOM 662 CB SER A 425 -12.357 -2.773 -2.573 1.00 0.00 C ATOM 663 OG SER A 425 -11.804 -3.319 -1.386 1.00 0.00 O ATOM 0 H SER A 425 -10.029 -3.072 -3.473 1.00 0.00 H new ATOM 0 HA SER A 425 -12.507 -4.607 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 425 -11.976 -1.763 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 425 -13.439 -2.693 -2.471 1.00 0.00 H new ATOM 0 HG SER A 425 -10.829 -3.219 -1.403 1.00 0.00 H new ATOM 669 N LYS A 426 -13.246 -3.759 -5.871 1.00 0.00 N ATOM 670 CA LYS A 426 -13.749 -3.276 -7.147 1.00 0.00 C ATOM 671 C LYS A 426 -15.100 -2.595 -6.951 1.00 0.00 C ATOM 672 O LYS A 426 -15.328 -1.482 -7.436 1.00 0.00 O ATOM 673 CB LYS A 426 -13.866 -4.445 -8.138 1.00 0.00 C ATOM 674 CG LYS A 426 -13.768 -4.048 -9.608 1.00 0.00 C ATOM 675 CD LYS A 426 -15.026 -3.351 -10.104 1.00 0.00 C ATOM 676 CE LYS A 426 -14.932 -3.007 -11.581 1.00 0.00 C ATOM 677 NZ LYS A 426 -16.170 -2.358 -12.084 1.00 0.00 N ATOM 0 H LYS A 426 -13.496 -4.725 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 426 -13.052 -2.544 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -13.082 -5.169 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -14.819 -4.948 -7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -12.911 -3.389 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -13.587 -4.938 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -15.889 -3.994 -9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -15.189 -2.440 -9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -14.083 -2.343 -11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -14.741 -3.915 -12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -16.062 -2.141 -13.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -16.977 -3.001 -11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -16.339 -1.477 -11.557 1.00 0.00 H new ATOM 691 N SER A 427 -15.971 -3.248 -6.199 1.00 0.00 N ATOM 692 CA SER A 427 -17.295 -2.721 -5.920 1.00 0.00 C ATOM 693 C SER A 427 -17.903 -3.485 -4.749 1.00 0.00 C ATOM 694 O SER A 427 -18.882 -2.997 -4.154 1.00 0.00 O ATOM 695 CB SER A 427 -18.184 -2.854 -7.161 1.00 0.00 C ATOM 696 OG SER A 427 -19.334 -2.027 -7.068 1.00 0.00 O ATOM 697 OXT SER A 427 -17.384 -4.575 -4.422 1.00 0.00 O ATOM 0 H SER A 427 -15.781 -4.153 -5.768 1.00 0.00 H new ATOM 0 HA SER A 427 -17.220 -1.665 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 427 -17.613 -2.586 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 427 -18.491 -3.893 -7.281 1.00 0.00 H new ATOM 0 HG SER A 427 -19.655 -2.015 -6.142 1.00 0.00 H new TER 703 SER A 427