USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 8 THR OG1 : rot -143:sc= -0.615 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0666 USER MOD Single : A 12 SER OG : rot -12:sc= 0.223! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.0465 K(o=0.047,f=-3.6!) USER MOD Single : A 18 ASN : amide:sc= -0.0298 X(o=-0.03,f=-0.046) USER MOD Single : A 19 TYR OH : rot 0:sc= -3.39! USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 1 PHE N :NH3+ 140:sc= 0.0684 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.374 K(o=-0.37,f=-0.97) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -6.73! C(o=-6.7!,f=-9.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -5.68! C(o=-6.7!,f=-5.7!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 84:sc= -0.126 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 26:sc= 0.757 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.523 2.584 3.550 1.00 0.00 N ATOM 2 CA GLY A 1 -6.263 2.900 4.354 1.00 0.00 C ATOM 3 C GLY A 1 -5.145 3.634 3.695 1.00 0.00 C ATOM 4 O GLY A 1 -5.200 4.835 3.512 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.200 2.073 4.152 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.955 3.470 3.219 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.273 1.994 2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.567 3.479 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.863 1.955 4.722 1.00 0.00 H new ATOM 10 N ILE A 2 -4.104 2.940 3.322 1.00 0.00 N ATOM 11 CA ILE A 2 -2.957 3.617 2.657 1.00 0.00 C ATOM 12 C ILE A 2 -3.454 4.337 1.404 1.00 0.00 C ATOM 13 O ILE A 2 -2.791 5.203 0.868 1.00 0.00 O ATOM 14 CB ILE A 2 -1.890 2.583 2.280 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.543 1.383 1.593 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.170 2.113 3.543 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.309 1.463 0.084 1.00 0.00 C ATOM 0 H ILE A 2 -3.999 1.933 3.450 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.516 4.343 3.340 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.175 3.041 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.127 0.456 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.612 1.368 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.411 1.378 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.695 2.965 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.890 1.661 4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.776 0.606 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.746 2.383 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.238 1.457 -0.119 1.00 0.00 H new ATOM 29 N VAL A 3 -4.624 3.995 0.940 1.00 0.00 N ATOM 30 CA VAL A 3 -5.170 4.670 -0.269 1.00 0.00 C ATOM 31 C VAL A 3 -5.017 6.181 -0.108 1.00 0.00 C ATOM 32 O VAL A 3 -4.313 6.827 -0.859 1.00 0.00 O ATOM 33 CB VAL A 3 -6.648 4.313 -0.426 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.163 4.830 -1.770 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.805 2.792 -0.372 1.00 0.00 C ATOM 0 H VAL A 3 -5.225 3.278 1.346 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.627 4.341 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.221 4.772 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.217 4.574 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.047 5.913 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.593 4.372 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.857 2.531 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.231 2.338 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.439 2.422 0.586 1.00 0.00 H new ATOM 45 N GLU A 4 -5.658 6.750 0.876 1.00 0.00 N ATOM 46 CA GLU A 4 -5.531 8.217 1.093 1.00 0.00 C ATOM 47 C GLU A 4 -4.152 8.507 1.680 1.00 0.00 C ATOM 48 O GLU A 4 -3.595 9.573 1.507 1.00 0.00 O ATOM 49 CB GLU A 4 -6.612 8.689 2.068 1.00 0.00 C ATOM 50 CG GLU A 4 -7.649 9.525 1.316 1.00 0.00 C ATOM 51 CD GLU A 4 -9.055 9.077 1.722 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.571 9.614 2.687 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.591 8.204 1.058 1.00 0.00 O ATOM 0 H GLU A 4 -6.263 6.263 1.537 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.652 8.744 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.093 7.831 2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.163 9.280 2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.513 10.583 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.515 9.409 0.240 1.00 0.00 H new ATOM 60 N GLN A 5 -3.595 7.555 2.370 1.00 0.00 N ATOM 61 CA GLN A 5 -2.249 7.758 2.970 1.00 0.00 C ATOM 62 C GLN A 5 -1.226 7.949 1.853 1.00 0.00 C ATOM 63 O GLN A 5 -0.245 8.645 2.009 1.00 0.00 O ATOM 64 CB GLN A 5 -1.874 6.537 3.812 1.00 0.00 C ATOM 65 CG GLN A 5 -1.026 6.980 5.007 1.00 0.00 C ATOM 66 CD GLN A 5 -1.879 6.965 6.276 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.433 6.524 7.316 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.098 7.430 6.235 1.00 0.00 N ATOM 0 H GLN A 5 -4.015 6.642 2.545 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.260 8.642 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.775 6.031 4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.320 5.820 3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.170 6.315 5.124 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.631 7.981 4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.473 7.801 5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.675 7.423 7.076 1.00 0.00 H new ATOM 77 N CYS A 6 -1.454 7.340 0.724 1.00 0.00 N ATOM 78 CA CYS A 6 -0.502 7.493 -0.413 1.00 0.00 C ATOM 79 C CYS A 6 -1.127 8.397 -1.468 1.00 0.00 C ATOM 80 O CYS A 6 -0.469 9.215 -2.080 1.00 0.00 O ATOM 81 CB CYS A 6 -0.207 6.126 -1.032 1.00 0.00 C ATOM 82 SG CYS A 6 -0.137 4.873 0.269 1.00 0.00 S ATOM 0 H CYS A 6 -2.259 6.742 0.538 1.00 0.00 H new ATOM 0 HA CYS A 6 0.428 7.931 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.980 5.869 -1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.739 6.157 -1.572 1.00 0.00 H new ATOM 87 N CYS A 7 -2.398 8.247 -1.684 1.00 0.00 N ATOM 88 CA CYS A 7 -3.094 9.083 -2.698 1.00 0.00 C ATOM 89 C CYS A 7 -3.389 10.456 -2.093 1.00 0.00 C ATOM 90 O CYS A 7 -3.214 11.476 -2.730 1.00 0.00 O ATOM 91 CB CYS A 7 -4.392 8.386 -3.109 1.00 0.00 C ATOM 92 SG CYS A 7 -4.922 8.998 -4.727 1.00 0.00 S ATOM 0 H CYS A 7 -2.992 7.575 -1.198 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.468 9.214 -3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.241 7.307 -3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.168 8.572 -2.366 1.00 0.00 H new ATOM 97 N THR A 8 -3.812 10.494 -0.860 1.00 0.00 N ATOM 98 CA THR A 8 -4.088 11.804 -0.207 1.00 0.00 C ATOM 99 C THR A 8 -2.801 12.268 0.495 1.00 0.00 C ATOM 100 O THR A 8 -2.666 13.413 0.878 1.00 0.00 O ATOM 101 CB THR A 8 -5.248 11.639 0.795 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.455 12.075 0.184 1.00 0.00 O ATOM 103 CG2 THR A 8 -5.001 12.464 2.064 1.00 0.00 C ATOM 0 H THR A 8 -3.979 9.674 -0.276 1.00 0.00 H new ATOM 0 HA THR A 8 -4.384 12.555 -0.940 1.00 0.00 H new ATOM 0 HB THR A 8 -5.319 10.588 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.014 12.527 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.834 12.329 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.079 12.132 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.914 13.518 1.801 1.00 0.00 H new ATOM 111 N SER A 9 -1.856 11.379 0.654 1.00 0.00 N ATOM 112 CA SER A 9 -0.569 11.742 1.314 1.00 0.00 C ATOM 113 C SER A 9 0.516 10.784 0.813 1.00 0.00 C ATOM 114 O SER A 9 0.528 10.409 -0.343 1.00 0.00 O ATOM 115 CB SER A 9 -0.716 11.611 2.831 1.00 0.00 C ATOM 116 OG SER A 9 0.321 12.345 3.468 1.00 0.00 O ATOM 0 H SER A 9 -1.923 10.407 0.351 1.00 0.00 H new ATOM 0 HA SER A 9 -0.299 12.771 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.690 11.985 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.667 10.562 3.123 1.00 0.00 H new ATOM 0 HG SER A 9 0.229 12.265 4.440 1.00 0.00 H new ATOM 122 N ILE A 10 1.419 10.364 1.661 1.00 0.00 N ATOM 123 CA ILE A 10 2.469 9.414 1.195 1.00 0.00 C ATOM 124 C ILE A 10 2.550 8.215 2.134 1.00 0.00 C ATOM 125 O ILE A 10 2.164 8.281 3.284 1.00 0.00 O ATOM 126 CB ILE A 10 3.843 10.082 1.177 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.789 11.407 0.443 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.830 9.179 0.468 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.778 12.525 1.471 1.00 0.00 C ATOM 0 H ILE A 10 1.474 10.634 2.643 1.00 0.00 H new ATOM 0 HA ILE A 10 2.197 9.097 0.188 1.00 0.00 H new ATOM 0 HB ILE A 10 4.153 10.257 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.649 11.509 -0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.898 11.458 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.811 9.653 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.895 8.227 0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.495 9.006 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.739 13.488 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.904 12.419 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.683 12.471 2.077 1.00 0.00 H new ATOM 141 N CYS A 11 3.085 7.128 1.654 1.00 0.00 N ATOM 142 CA CYS A 11 3.235 5.926 2.522 1.00 0.00 C ATOM 143 C CYS A 11 4.510 5.192 2.140 1.00 0.00 C ATOM 144 O CYS A 11 5.150 5.499 1.155 1.00 0.00 O ATOM 145 CB CYS A 11 2.058 4.977 2.343 1.00 0.00 C ATOM 146 SG CYS A 11 1.838 4.613 0.585 1.00 0.00 S ATOM 0 H CYS A 11 3.425 7.019 0.699 1.00 0.00 H new ATOM 0 HA CYS A 11 3.273 6.253 3.561 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.233 4.055 2.897 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.151 5.425 2.749 1.00 0.00 H new ATOM 151 N SER A 12 4.879 4.218 2.912 1.00 0.00 N ATOM 152 CA SER A 12 6.119 3.453 2.599 1.00 0.00 C ATOM 153 C SER A 12 5.845 1.953 2.637 1.00 0.00 C ATOM 154 O SER A 12 5.238 1.456 3.554 1.00 0.00 O ATOM 155 CB SER A 12 7.197 3.768 3.631 1.00 0.00 C ATOM 156 OG SER A 12 6.993 2.953 4.779 1.00 0.00 O ATOM 0 H SER A 12 4.379 3.914 3.748 1.00 0.00 H new ATOM 0 HA SER A 12 6.452 3.741 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.186 3.585 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.158 4.822 3.906 1.00 0.00 H new ATOM 0 HG SER A 12 6.115 2.522 4.722 1.00 0.00 H new ATOM 162 N LEU A 13 6.296 1.253 1.628 1.00 0.00 N ATOM 163 CA LEU A 13 6.118 -0.229 1.531 1.00 0.00 C ATOM 164 C LEU A 13 6.003 -0.867 2.912 1.00 0.00 C ATOM 165 O LEU A 13 5.271 -1.818 3.106 1.00 0.00 O ATOM 166 CB LEU A 13 7.315 -0.831 0.796 1.00 0.00 C ATOM 167 CG LEU A 13 8.563 -0.758 1.676 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.794 -2.109 2.349 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.770 -0.413 0.809 1.00 0.00 C ATOM 0 H LEU A 13 6.798 1.662 0.840 1.00 0.00 H new ATOM 0 HA LEU A 13 5.196 -0.428 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.106 -1.868 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.486 -0.294 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 13 8.426 0.008 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.684 -2.056 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.931 -2.361 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.932 -2.876 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.663 -0.360 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.904 -1.183 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.607 0.550 0.326 1.00 0.00 H new ATOM 181 N TYR A 14 6.700 -0.349 3.875 1.00 0.00 N ATOM 182 CA TYR A 14 6.606 -0.926 5.241 1.00 0.00 C ATOM 183 C TYR A 14 5.133 -0.942 5.641 1.00 0.00 C ATOM 184 O TYR A 14 4.639 -1.875 6.244 1.00 0.00 O ATOM 185 CB TYR A 14 7.391 -0.050 6.216 1.00 0.00 C ATOM 186 CG TYR A 14 8.147 -0.927 7.178 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.533 -1.378 8.353 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.468 -1.291 6.892 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.243 -2.195 9.243 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.178 -2.107 7.781 1.00 0.00 C ATOM 191 CZ TYR A 14 9.566 -2.560 8.958 1.00 0.00 C ATOM 192 OH TYR A 14 10.265 -3.364 9.834 1.00 0.00 O ATOM 0 H TYR A 14 7.330 0.447 3.779 1.00 0.00 H new ATOM 0 HA TYR A 14 7.018 -1.935 5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.083 0.591 5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.712 0.606 6.761 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.514 -1.097 8.573 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.940 -0.942 5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.770 -2.544 10.149 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.197 -2.387 7.560 1.00 0.00 H new ATOM 0 HH TYR A 14 11.167 -3.522 9.485 1.00 0.00 H new ATOM 202 N GLN A 15 4.431 0.088 5.274 1.00 0.00 N ATOM 203 CA GLN A 15 2.988 0.184 5.581 1.00 0.00 C ATOM 204 C GLN A 15 2.228 -0.652 4.564 1.00 0.00 C ATOM 205 O GLN A 15 1.127 -1.100 4.799 1.00 0.00 O ATOM 206 CB GLN A 15 2.572 1.648 5.445 1.00 0.00 C ATOM 207 CG GLN A 15 3.254 2.479 6.533 1.00 0.00 C ATOM 208 CD GLN A 15 2.788 3.933 6.435 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.132 4.632 5.502 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.016 4.422 7.366 1.00 0.00 N ATOM 0 H GLN A 15 4.809 0.885 4.762 1.00 0.00 H new ATOM 0 HA GLN A 15 2.775 -0.174 6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.847 2.025 4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.489 1.738 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.015 2.075 7.517 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.337 2.425 6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.727 3.836 8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.701 5.391 7.311 1.00 0.00 H new ATOM 219 N LEU A 16 2.835 -0.873 3.439 1.00 0.00 N ATOM 220 CA LEU A 16 2.201 -1.683 2.381 1.00 0.00 C ATOM 221 C LEU A 16 2.434 -3.146 2.718 1.00 0.00 C ATOM 222 O LEU A 16 1.694 -4.020 2.309 1.00 0.00 O ATOM 223 CB LEU A 16 2.843 -1.323 1.040 1.00 0.00 C ATOM 224 CG LEU A 16 2.517 0.143 0.706 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.591 1.068 1.234 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.404 0.322 -0.807 1.00 0.00 C ATOM 0 H LEU A 16 3.762 -0.518 3.207 1.00 0.00 H new ATOM 0 HA LEU A 16 1.130 -1.492 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.922 -1.467 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.469 -1.980 0.255 1.00 0.00 H new ATOM 0 HG LEU A 16 1.568 0.394 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.338 2.099 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.662 0.963 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.548 0.810 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.173 1.363 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.349 0.049 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.609 -0.318 -1.191 1.00 0.00 H new ATOM 238 N GLU A 17 3.447 -3.418 3.497 1.00 0.00 N ATOM 239 CA GLU A 17 3.707 -4.821 3.896 1.00 0.00 C ATOM 240 C GLU A 17 2.586 -5.237 4.838 1.00 0.00 C ATOM 241 O GLU A 17 2.258 -6.400 4.966 1.00 0.00 O ATOM 242 CB GLU A 17 5.055 -4.921 4.614 1.00 0.00 C ATOM 243 CG GLU A 17 6.184 -4.619 3.627 1.00 0.00 C ATOM 244 CD GLU A 17 7.466 -5.313 4.093 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.427 -6.517 4.289 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.465 -4.630 4.247 1.00 0.00 O ATOM 0 H GLU A 17 4.100 -2.729 3.870 1.00 0.00 H new ATOM 0 HA GLU A 17 3.740 -5.471 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.088 -4.218 5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.182 -5.919 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.912 -4.965 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.344 -3.543 3.559 1.00 0.00 H new ATOM 253 N ASN A 18 1.977 -4.277 5.480 1.00 0.00 N ATOM 254 CA ASN A 18 0.852 -4.595 6.399 1.00 0.00 C ATOM 255 C ASN A 18 -0.402 -4.849 5.559 1.00 0.00 C ATOM 256 O ASN A 18 -1.409 -5.320 6.048 1.00 0.00 O ATOM 257 CB ASN A 18 0.608 -3.412 7.340 1.00 0.00 C ATOM 258 CG ASN A 18 -0.369 -3.828 8.442 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.550 -3.558 8.358 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.079 -4.479 9.481 1.00 0.00 N ATOM 0 H ASN A 18 2.211 -3.287 5.406 1.00 0.00 H new ATOM 0 HA ASN A 18 1.091 -5.477 6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.550 -3.083 7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.205 -2.567 6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.563 -4.761 10.222 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.071 -4.706 9.552 1.00 0.00 H new ATOM 267 N TYR A 19 -0.340 -4.532 4.292 1.00 0.00 N ATOM 268 CA TYR A 19 -1.513 -4.742 3.405 1.00 0.00 C ATOM 269 C TYR A 19 -1.410 -6.110 2.725 1.00 0.00 C ATOM 270 O TYR A 19 -2.219 -6.461 1.889 1.00 0.00 O ATOM 271 CB TYR A 19 -1.529 -3.636 2.348 1.00 0.00 C ATOM 272 CG TYR A 19 -2.094 -2.388 2.968 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.436 -1.802 4.051 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.272 -1.819 2.468 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.953 -0.648 4.645 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.791 -0.661 3.058 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.130 -0.075 4.149 1.00 0.00 C ATOM 278 OH TYR A 19 -3.643 1.060 4.740 1.00 0.00 O ATOM 0 H TYR A 19 0.480 -4.134 3.834 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.433 -4.710 3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.520 -3.451 1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.132 -3.939 1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.525 -2.242 4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.779 -2.273 1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.445 -0.199 5.486 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.699 -0.219 2.675 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.067 1.329 5.486 1.00 0.00 H new ATOM 288 N CYS A 20 -0.422 -6.885 3.076 1.00 0.00 N ATOM 289 CA CYS A 20 -0.267 -8.228 2.446 1.00 0.00 C ATOM 290 C CYS A 20 -1.311 -9.192 3.009 1.00 0.00 C ATOM 291 O CYS A 20 -1.875 -8.969 4.062 1.00 0.00 O ATOM 292 CB CYS A 20 1.136 -8.758 2.740 1.00 0.00 C ATOM 293 SG CYS A 20 2.350 -7.597 2.071 1.00 0.00 S ATOM 0 H CYS A 20 0.285 -6.648 3.772 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.411 -8.144 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.278 -8.875 3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.269 -9.743 2.292 1.00 0.00 H new ATOM 298 N ASN A 21 -1.574 -10.263 2.310 1.00 0.00 N ATOM 299 CA ASN A 21 -2.585 -11.243 2.800 1.00 0.00 C ATOM 300 C ASN A 21 -1.960 -12.119 3.888 1.00 0.00 C ATOM 301 O ASN A 21 -0.948 -12.742 3.611 1.00 0.00 O ATOM 302 CB ASN A 21 -3.045 -12.123 1.636 1.00 0.00 C ATOM 303 CG ASN A 21 -4.494 -12.557 1.865 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.897 -12.801 2.985 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.299 -12.664 0.844 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.506 -12.154 4.978 1.00 0.00 O ATOM 0 H ASN A 21 -1.133 -10.501 1.422 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.441 -10.709 3.212 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.963 -11.575 0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.401 -12.998 1.552 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.267 -12.953 0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.960 -12.459 -0.096 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.856 1.949 -0.485 1.00 0.00 N ATOM 315 CA PHE B 1 12.524 2.534 -0.807 1.00 0.00 C ATOM 316 C PHE B 1 12.319 3.816 -0.006 1.00 0.00 C ATOM 317 O PHE B 1 13.124 4.178 0.830 1.00 0.00 O ATOM 318 CB PHE B 1 11.422 1.549 -0.432 1.00 0.00 C ATOM 319 CG PHE B 1 10.870 0.892 -1.676 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.943 1.575 -2.472 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.275 -0.403 -2.025 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.419 0.964 -3.619 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.753 -1.014 -3.173 1.00 0.00 C ATOM 324 CZ PHE B 1 9.824 -0.329 -3.970 1.00 0.00 C ATOM 0 H1 PHE B 1 13.774 0.914 -0.419 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.534 2.196 -1.234 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.191 2.328 0.424 1.00 0.00 H new ATOM 0 HA PHE B 1 12.484 2.748 -1.875 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.816 0.791 0.245 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.624 2.068 0.099 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.632 2.573 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.989 -0.930 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.703 1.491 -4.232 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.066 -2.012 -3.444 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.421 -0.799 -4.855 1.00 0.00 H new ATOM 336 N VAL B 2 11.240 4.502 -0.253 1.00 0.00 N ATOM 337 CA VAL B 2 10.961 5.755 0.482 1.00 0.00 C ATOM 338 C VAL B 2 9.469 6.066 0.350 1.00 0.00 C ATOM 339 O VAL B 2 8.764 5.454 -0.426 1.00 0.00 O ATOM 340 CB VAL B 2 11.812 6.884 -0.115 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.027 6.630 -1.608 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.118 8.232 0.063 1.00 0.00 C ATOM 0 H VAL B 2 10.534 4.241 -0.942 1.00 0.00 H new ATOM 0 HA VAL B 2 11.213 5.655 1.538 1.00 0.00 H new ATOM 0 HB VAL B 2 12.770 6.905 0.404 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.631 7.433 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.541 5.678 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.062 6.598 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.737 9.020 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.152 8.213 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.968 8.427 1.125 1.00 0.00 H new ATOM 352 N ASN B 3 8.988 7.020 1.089 1.00 0.00 N ATOM 353 CA ASN B 3 7.542 7.370 0.986 1.00 0.00 C ATOM 354 C ASN B 3 7.244 7.766 -0.463 1.00 0.00 C ATOM 355 O ASN B 3 8.063 8.366 -1.130 1.00 0.00 O ATOM 356 CB ASN B 3 7.201 8.528 1.937 1.00 0.00 C ATOM 357 CG ASN B 3 8.098 8.464 3.176 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.133 7.464 3.864 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.830 9.499 3.490 1.00 0.00 N ATOM 0 H ASN B 3 9.526 7.572 1.757 1.00 0.00 H new ATOM 0 HA ASN B 3 6.932 6.513 1.271 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.338 9.482 1.427 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.153 8.472 2.232 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.431 9.467 4.313 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.800 10.339 2.912 1.00 0.00 H new ATOM 366 N GLN B 4 6.084 7.433 -0.962 1.00 0.00 N ATOM 367 CA GLN B 4 5.752 7.790 -2.369 1.00 0.00 C ATOM 368 C GLN B 4 4.238 7.958 -2.513 1.00 0.00 C ATOM 369 O GLN B 4 3.465 7.189 -1.974 1.00 0.00 O ATOM 370 CB GLN B 4 6.226 6.672 -3.302 1.00 0.00 C ATOM 371 CG GLN B 4 6.854 7.285 -4.556 1.00 0.00 C ATOM 372 CD GLN B 4 7.138 6.182 -5.578 1.00 0.00 C ATOM 373 OE1 GLN B 4 6.531 6.141 -6.628 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.043 5.279 -5.311 1.00 0.00 N ATOM 0 H GLN B 4 5.354 6.930 -0.457 1.00 0.00 H new ATOM 0 HA GLN B 4 6.248 8.724 -2.631 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.952 6.040 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.387 6.034 -3.578 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.182 8.029 -4.985 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.778 7.802 -4.297 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.553 5.314 -4.428 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.240 4.539 -5.985 1.00 0.00 H new ATOM 383 N HIS B 5 3.811 8.960 -3.228 1.00 0.00 N ATOM 384 CA HIS B 5 2.351 9.178 -3.400 1.00 0.00 C ATOM 385 C HIS B 5 1.789 8.095 -4.319 1.00 0.00 C ATOM 386 O HIS B 5 2.243 7.913 -5.431 1.00 0.00 O ATOM 387 CB HIS B 5 2.105 10.551 -4.019 1.00 0.00 C ATOM 388 CG HIS B 5 2.316 11.619 -2.982 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.257 12.167 -2.289 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.456 12.229 -2.536 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.775 13.080 -1.455 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.117 13.152 -1.571 1.00 0.00 N ATOM 0 H HIS B 5 4.411 9.637 -3.700 1.00 0.00 H new ATOM 0 HA HIS B 5 1.857 9.130 -2.429 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.781 10.708 -4.860 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.090 10.607 -4.412 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.271 11.925 -2.391 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.457 12.021 -2.883 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.191 13.683 -0.775 1.00 0.00 H new ATOM 400 N LEU B 6 0.810 7.370 -3.859 1.00 0.00 N ATOM 401 CA LEU B 6 0.222 6.291 -4.697 1.00 0.00 C ATOM 402 C LEU B 6 -1.299 6.448 -4.728 1.00 0.00 C ATOM 403 O LEU B 6 -1.846 7.302 -4.066 1.00 0.00 O ATOM 404 CB LEU B 6 0.590 4.942 -4.088 1.00 0.00 C ATOM 405 CG LEU B 6 1.764 4.318 -4.842 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.795 5.380 -5.208 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.422 3.273 -3.949 1.00 0.00 C ATOM 0 H LEU B 6 0.390 7.479 -2.936 1.00 0.00 H new ATOM 0 HA LEU B 6 0.608 6.352 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.851 5.069 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.270 4.273 -4.124 1.00 0.00 H new ATOM 0 HG LEU B 6 1.393 3.860 -5.759 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.622 4.915 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.330 6.135 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.171 5.851 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.262 2.820 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.781 3.748 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.695 2.502 -3.695 1.00 0.00 H new ATOM 419 N CYS B 7 -1.991 5.642 -5.488 1.00 0.00 N ATOM 420 CA CYS B 7 -3.479 5.786 -5.542 1.00 0.00 C ATOM 421 C CYS B 7 -4.148 4.463 -5.930 1.00 0.00 C ATOM 422 O CYS B 7 -4.654 3.740 -5.099 1.00 0.00 O ATOM 423 CB CYS B 7 -3.847 6.852 -6.579 1.00 0.00 C ATOM 424 SG CYS B 7 -3.403 8.496 -5.960 1.00 0.00 S ATOM 0 H CYS B 7 -1.599 4.899 -6.067 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.831 6.078 -4.553 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.327 6.654 -7.516 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.915 6.811 -6.792 1.00 0.00 H new ATOM 429 N GLY B 8 -4.188 4.166 -7.194 1.00 0.00 N ATOM 430 CA GLY B 8 -4.858 2.911 -7.652 1.00 0.00 C ATOM 431 C GLY B 8 -3.828 1.880 -8.129 1.00 0.00 C ATOM 432 O GLY B 8 -3.198 1.207 -7.338 1.00 0.00 O ATOM 0 H GLY B 8 -3.786 4.737 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.447 2.491 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.551 3.139 -8.462 1.00 0.00 H new ATOM 436 N SER B 9 -3.659 1.745 -9.421 1.00 0.00 N ATOM 437 CA SER B 9 -2.680 0.751 -9.946 1.00 0.00 C ATOM 438 C SER B 9 -1.389 0.887 -9.161 1.00 0.00 C ATOM 439 O SER B 9 -0.909 -0.041 -8.543 1.00 0.00 O ATOM 440 CB SER B 9 -2.416 1.027 -11.426 1.00 0.00 C ATOM 441 OG SER B 9 -1.903 -0.148 -12.039 1.00 0.00 O ATOM 0 H SER B 9 -4.157 2.281 -10.132 1.00 0.00 H new ATOM 0 HA SER B 9 -3.076 -0.259 -9.840 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.337 1.336 -11.920 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.706 1.847 -11.534 1.00 0.00 H new ATOM 0 HG SER B 9 -1.734 0.025 -12.989 1.00 0.00 H new ATOM 447 N HIS B 10 -0.834 2.052 -9.173 1.00 0.00 N ATOM 448 CA HIS B 10 0.430 2.289 -8.418 1.00 0.00 C ATOM 449 C HIS B 10 0.251 1.927 -6.934 1.00 0.00 C ATOM 450 O HIS B 10 1.208 1.885 -6.193 1.00 0.00 O ATOM 451 CB HIS B 10 0.874 3.760 -8.532 1.00 0.00 C ATOM 452 CG HIS B 10 -0.274 4.648 -8.930 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.584 4.669 -8.534 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 -0.107 5.653 -9.861 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -2.234 5.679 -9.216 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -1.300 6.246 -10.005 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.197 2.863 -9.674 1.00 0.00 H new ATOM 0 HA HIS B 10 1.199 1.652 -8.855 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.281 4.094 -7.578 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.674 3.845 -9.267 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.808 5.911 -10.374 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -3.274 5.957 -9.134 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.479 7.029 -10.634 1.00 0.00 H new ATOM 464 N LEU B 11 -0.946 1.617 -6.495 1.00 0.00 N ATOM 465 CA LEU B 11 -1.130 1.220 -5.073 1.00 0.00 C ATOM 466 C LEU B 11 -1.146 -0.280 -5.055 1.00 0.00 C ATOM 467 O LEU B 11 -0.401 -0.931 -4.350 1.00 0.00 O ATOM 468 CB LEU B 11 -2.464 1.743 -4.525 1.00 0.00 C ATOM 469 CG LEU B 11 -2.234 2.975 -3.650 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.510 3.297 -2.879 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.120 2.689 -2.643 1.00 0.00 C ATOM 0 H LEU B 11 -1.795 1.623 -7.060 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.333 1.633 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.130 1.994 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.957 0.963 -3.944 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.956 3.815 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.346 4.176 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.319 3.497 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.778 2.449 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.958 3.569 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.406 1.847 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.201 2.447 -3.176 1.00 0.00 H new ATOM 483 N VAL B 12 -1.966 -0.827 -5.884 1.00 0.00 N ATOM 484 CA VAL B 12 -2.021 -2.287 -5.995 1.00 0.00 C ATOM 485 C VAL B 12 -0.658 -2.722 -6.493 1.00 0.00 C ATOM 486 O VAL B 12 -0.190 -3.813 -6.232 1.00 0.00 O ATOM 487 CB VAL B 12 -3.106 -2.667 -7.003 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.311 -1.744 -6.824 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.570 -2.522 -8.436 1.00 0.00 C ATOM 0 H VAL B 12 -2.606 -0.319 -6.494 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.258 -2.767 -5.045 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.401 -3.702 -6.832 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.086 -2.014 -7.542 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.702 -1.848 -5.812 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.006 -0.711 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.351 -2.795 -9.146 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.268 -1.489 -8.609 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.711 -3.179 -8.571 1.00 0.00 H new ATOM 499 N GLU B 13 -0.012 -1.841 -7.205 1.00 0.00 N ATOM 500 CA GLU B 13 1.327 -2.154 -7.722 1.00 0.00 C ATOM 501 C GLU B 13 2.292 -2.084 -6.547 1.00 0.00 C ATOM 502 O GLU B 13 3.050 -2.998 -6.288 1.00 0.00 O ATOM 503 CB GLU B 13 1.726 -1.131 -8.786 1.00 0.00 C ATOM 504 CG GLU B 13 0.991 -1.440 -10.091 1.00 0.00 C ATOM 505 CD GLU B 13 1.951 -1.264 -11.269 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.130 -1.525 -11.091 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.492 -0.870 -12.328 1.00 0.00 O ATOM 0 H GLU B 13 -0.365 -0.915 -7.446 1.00 0.00 H new ATOM 0 HA GLU B 13 1.345 -3.144 -8.178 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.481 -0.124 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.804 -1.160 -8.947 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.605 -2.459 -10.071 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.134 -0.777 -10.204 1.00 0.00 H new ATOM 514 N ALA B 14 2.241 -1.004 -5.815 1.00 0.00 N ATOM 515 CA ALA B 14 3.118 -0.860 -4.631 1.00 0.00 C ATOM 516 C ALA B 14 2.884 -2.052 -3.706 1.00 0.00 C ATOM 517 O ALA B 14 3.812 -2.657 -3.208 1.00 0.00 O ATOM 518 CB ALA B 14 2.744 0.428 -3.905 1.00 0.00 C ATOM 0 H ALA B 14 1.623 -0.212 -5.993 1.00 0.00 H new ATOM 0 HA ALA B 14 4.166 -0.825 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.381 0.550 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.882 1.277 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.701 0.379 -3.591 1.00 0.00 H new ATOM 524 N LEU B 15 1.644 -2.400 -3.484 1.00 0.00 N ATOM 525 CA LEU B 15 1.352 -3.563 -2.602 1.00 0.00 C ATOM 526 C LEU B 15 1.825 -4.830 -3.302 1.00 0.00 C ATOM 527 O LEU B 15 2.540 -5.638 -2.745 1.00 0.00 O ATOM 528 CB LEU B 15 -0.157 -3.672 -2.333 1.00 0.00 C ATOM 529 CG LEU B 15 -0.702 -2.451 -1.568 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.677 -2.944 -0.508 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.409 -1.680 -0.858 1.00 0.00 C ATOM 0 H LEU B 15 0.826 -1.931 -3.874 1.00 0.00 H new ATOM 0 HA LEU B 15 1.867 -3.431 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.687 -3.771 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.358 -4.577 -1.759 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.180 -1.788 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.074 -2.093 0.045 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.496 -3.479 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.160 -3.614 0.179 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.019 -0.827 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.907 -2.335 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.133 -1.327 -1.592 1.00 0.00 H new ATOM 543 N TYR B 16 1.437 -5.003 -4.528 1.00 0.00 N ATOM 544 CA TYR B 16 1.872 -6.214 -5.275 1.00 0.00 C ATOM 545 C TYR B 16 3.397 -6.295 -5.235 1.00 0.00 C ATOM 546 O TYR B 16 3.981 -7.343 -5.429 1.00 0.00 O ATOM 547 CB TYR B 16 1.400 -6.121 -6.730 1.00 0.00 C ATOM 548 CG TYR B 16 2.130 -7.147 -7.562 1.00 0.00 C ATOM 549 CD1 TYR B 16 2.259 -8.462 -7.096 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.683 -6.784 -8.797 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.940 -9.414 -7.865 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.364 -7.736 -9.566 1.00 0.00 C ATOM 553 CZ TYR B 16 3.493 -9.052 -9.100 1.00 0.00 C ATOM 554 OH TYR B 16 4.163 -9.990 -9.859 1.00 0.00 O ATOM 0 H TYR B 16 0.838 -4.361 -5.048 1.00 0.00 H new ATOM 0 HA TYR B 16 1.441 -7.105 -4.818 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.325 -6.290 -6.786 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.586 -5.121 -7.121 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.833 -8.742 -6.144 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.584 -5.770 -9.156 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.039 -10.428 -7.506 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.790 -7.456 -10.518 1.00 0.00 H new ATOM 0 HH TYR B 16 4.483 -9.573 -10.686 1.00 0.00 H new ATOM 564 N LEU B 17 4.044 -5.194 -4.982 1.00 0.00 N ATOM 565 CA LEU B 17 5.530 -5.201 -4.926 1.00 0.00 C ATOM 566 C LEU B 17 5.974 -5.443 -3.488 1.00 0.00 C ATOM 567 O LEU B 17 6.958 -6.110 -3.235 1.00 0.00 O ATOM 568 CB LEU B 17 6.065 -3.853 -5.419 1.00 0.00 C ATOM 569 CG LEU B 17 7.309 -4.068 -6.288 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.022 -5.121 -7.361 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.680 -2.751 -6.968 1.00 0.00 C ATOM 0 H LEU B 17 3.607 -4.288 -4.811 1.00 0.00 H new ATOM 0 HA LEU B 17 5.922 -5.994 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.296 -3.335 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.311 -3.217 -4.569 1.00 0.00 H new ATOM 0 HG LEU B 17 8.131 -4.409 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.911 -5.268 -7.974 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.751 -6.063 -6.883 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.199 -4.784 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.565 -2.898 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.851 -2.418 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.890 -1.996 -6.210 1.00 0.00 H new ATOM 583 N VAL B 18 5.251 -4.922 -2.537 1.00 0.00 N ATOM 584 CA VAL B 18 5.634 -5.144 -1.121 1.00 0.00 C ATOM 585 C VAL B 18 5.235 -6.563 -0.722 1.00 0.00 C ATOM 586 O VAL B 18 5.933 -7.240 0.007 1.00 0.00 O ATOM 587 CB VAL B 18 4.927 -4.123 -0.224 1.00 0.00 C ATOM 588 CG1 VAL B 18 4.947 -2.753 -0.899 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.473 -4.548 0.016 1.00 0.00 C ATOM 0 H VAL B 18 4.415 -4.355 -2.681 1.00 0.00 H new ATOM 0 HA VAL B 18 6.710 -5.020 -1.003 1.00 0.00 H new ATOM 0 HB VAL B 18 5.447 -4.072 0.733 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.444 -2.026 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.979 -2.442 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.432 -2.812 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.980 -3.815 0.655 1.00 0.00 H new ATOM 0 HG22 VAL B 18 2.949 -4.608 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.455 -5.523 0.502 1.00 0.00 H new ATOM 599 N CYS B 19 4.114 -7.014 -1.204 1.00 0.00 N ATOM 600 CA CYS B 19 3.655 -8.389 -0.867 1.00 0.00 C ATOM 601 C CYS B 19 4.152 -9.374 -1.928 1.00 0.00 C ATOM 602 O CYS B 19 4.104 -10.574 -1.745 1.00 0.00 O ATOM 603 CB CYS B 19 2.131 -8.404 -0.819 1.00 0.00 C ATOM 604 SG CYS B 19 1.575 -7.081 0.280 1.00 0.00 S ATOM 0 H CYS B 19 3.493 -6.489 -1.819 1.00 0.00 H new ATOM 0 HA CYS B 19 4.055 -8.684 0.103 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.720 -8.263 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.773 -9.369 -0.460 1.00 0.00 H new ATOM 609 N GLY B 20 4.636 -8.876 -3.031 1.00 0.00 N ATOM 610 CA GLY B 20 5.143 -9.784 -4.100 1.00 0.00 C ATOM 611 C GLY B 20 4.082 -10.834 -4.438 1.00 0.00 C ATOM 612 O GLY B 20 2.965 -10.510 -4.791 1.00 0.00 O ATOM 0 H GLY B 20 4.703 -7.880 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.393 -9.207 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.059 -10.273 -3.769 1.00 0.00 H new ATOM 616 N GLU B 21 4.425 -12.090 -4.341 1.00 0.00 N ATOM 617 CA GLU B 21 3.442 -13.162 -4.665 1.00 0.00 C ATOM 618 C GLU B 21 2.315 -13.163 -3.632 1.00 0.00 C ATOM 619 O GLU B 21 1.150 -13.234 -3.971 1.00 0.00 O ATOM 620 CB GLU B 21 4.143 -14.522 -4.653 1.00 0.00 C ATOM 621 CG GLU B 21 3.154 -15.608 -5.079 1.00 0.00 C ATOM 622 CD GLU B 21 3.068 -15.650 -6.606 1.00 0.00 C ATOM 623 OE1 GLU B 21 4.093 -15.469 -7.242 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.979 -15.861 -7.113 1.00 0.00 O ATOM 0 H GLU B 21 5.345 -12.420 -4.051 1.00 0.00 H new ATOM 0 HA GLU B 21 3.024 -12.975 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.998 -14.508 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.528 -14.736 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.474 -16.577 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.171 -15.406 -4.654 1.00 0.00 H new ATOM 631 N ARG B 22 2.652 -13.086 -2.376 1.00 0.00 N ATOM 632 CA ARG B 22 1.597 -13.085 -1.322 1.00 0.00 C ATOM 633 C ARG B 22 0.463 -12.154 -1.746 1.00 0.00 C ATOM 634 O ARG B 22 -0.692 -12.379 -1.442 1.00 0.00 O ATOM 635 CB ARG B 22 2.194 -12.601 0.001 1.00 0.00 C ATOM 636 CG ARG B 22 2.507 -13.806 0.891 1.00 0.00 C ATOM 637 CD ARG B 22 4.004 -14.110 0.832 1.00 0.00 C ATOM 638 NE ARG B 22 4.302 -15.304 1.673 1.00 0.00 N ATOM 639 CZ ARG B 22 4.142 -16.503 1.185 1.00 0.00 C ATOM 640 NH1 ARG B 22 4.603 -16.792 -0.001 1.00 0.00 N ATOM 641 NH2 ARG B 22 3.516 -17.413 1.882 1.00 0.00 N ATOM 0 H ARG B 22 3.610 -13.024 -2.032 1.00 0.00 H new ATOM 0 HA ARG B 22 1.209 -14.095 -1.191 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.102 -12.028 -0.186 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.494 -11.935 0.506 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.207 -13.600 1.919 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.936 -14.674 0.560 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.309 -14.293 -0.199 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.575 -13.251 1.186 1.00 0.00 H new ATOM 0 HE ARG B 22 4.631 -15.183 2.631 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.089 -16.080 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.478 -17.730 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.152 -17.186 2.808 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.391 -18.351 1.501 1.00 0.00 H new ATOM 655 N GLY B 23 0.790 -11.112 -2.450 1.00 0.00 N ATOM 656 CA GLY B 23 -0.256 -10.155 -2.911 1.00 0.00 C ATOM 657 C GLY B 23 -0.847 -9.423 -1.706 1.00 0.00 C ATOM 658 O GLY B 23 -0.294 -9.438 -0.624 1.00 0.00 O ATOM 0 H GLY B 23 1.742 -10.877 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.175 -9.438 -3.610 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.041 -10.689 -3.446 1.00 0.00 H new ATOM 662 N PHE B 24 -1.964 -8.772 -1.882 1.00 0.00 N ATOM 663 CA PHE B 24 -2.579 -8.031 -0.745 1.00 0.00 C ATOM 664 C PHE B 24 -4.100 -8.008 -0.904 1.00 0.00 C ATOM 665 O PHE B 24 -4.659 -8.689 -1.740 1.00 0.00 O ATOM 666 CB PHE B 24 -2.052 -6.596 -0.741 1.00 0.00 C ATOM 667 CG PHE B 24 -2.091 -6.047 -2.146 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.206 -6.540 -3.114 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.013 -5.049 -2.484 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.243 -6.034 -4.419 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.050 -4.543 -3.790 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.165 -5.036 -4.757 1.00 0.00 C ATOM 0 H PHE B 24 -2.477 -8.721 -2.762 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.322 -8.526 0.192 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.657 -5.976 -0.079 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.032 -6.572 -0.357 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.495 -7.310 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.696 -4.669 -1.738 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.560 -6.414 -5.165 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.761 -3.773 -4.051 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.194 -4.646 -5.764 1.00 0.00 H new ATOM 682 N PHE B 25 -4.769 -7.223 -0.106 1.00 0.00 N ATOM 683 CA PHE B 25 -6.253 -7.146 -0.205 1.00 0.00 C ATOM 684 C PHE B 25 -6.651 -5.792 -0.790 1.00 0.00 C ATOM 685 O PHE B 25 -7.593 -5.683 -1.549 1.00 0.00 O ATOM 686 CB PHE B 25 -6.867 -7.302 1.188 1.00 0.00 C ATOM 687 CG PHE B 25 -8.265 -7.857 1.065 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.342 -6.994 0.824 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.486 -9.234 1.193 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.640 -7.509 0.709 1.00 0.00 C ATOM 691 CE2 PHE B 25 -9.784 -9.749 1.078 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.861 -8.887 0.838 1.00 0.00 C ATOM 0 H PHE B 25 -4.351 -6.631 0.612 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.618 -7.944 -0.852 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.253 -7.967 1.795 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.891 -6.338 1.696 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.172 -5.932 0.727 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.656 -9.899 1.380 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.470 -6.844 0.521 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.954 -10.811 1.175 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.862 -9.284 0.752 1.00 0.00 H new ATOM 702 N TYR B 26 -5.933 -4.764 -0.440 1.00 0.00 N ATOM 703 CA TYR B 26 -6.252 -3.406 -0.966 1.00 0.00 C ATOM 704 C TYR B 26 -7.720 -3.075 -0.687 1.00 0.00 C ATOM 705 O TYR B 26 -8.617 -3.621 -1.296 1.00 0.00 O ATOM 706 CB TYR B 26 -5.999 -3.365 -2.473 1.00 0.00 C ATOM 707 CG TYR B 26 -5.998 -1.931 -2.944 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.263 -0.961 -2.248 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.736 -1.569 -4.078 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.267 0.370 -2.687 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.742 -0.239 -4.516 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.008 0.732 -3.821 1.00 0.00 C ATOM 713 OH TYR B 26 -6.016 2.042 -4.253 1.00 0.00 O ATOM 0 H TYR B 26 -5.133 -4.805 0.192 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.615 -2.673 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.044 -3.836 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.769 -3.931 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.694 -1.239 -1.374 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.301 -2.316 -4.615 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.699 1.117 -2.152 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.313 0.039 -5.390 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.227 2.207 -4.810 1.00 0.00 H new ATOM 723 N THR B 27 -7.970 -2.181 0.226 1.00 0.00 N ATOM 724 CA THR B 27 -9.380 -1.815 0.542 1.00 0.00 C ATOM 725 C THR B 27 -9.720 -0.474 -0.113 1.00 0.00 C ATOM 726 O THR B 27 -8.866 0.190 -0.669 1.00 0.00 O ATOM 727 CB THR B 27 -9.548 -1.700 2.059 1.00 0.00 C ATOM 728 OG1 THR B 27 -8.991 -0.472 2.505 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.830 -2.865 2.742 1.00 0.00 C ATOM 0 H THR B 27 -7.261 -1.687 0.768 1.00 0.00 H new ATOM 0 HA THR B 27 -10.050 -2.585 0.159 1.00 0.00 H new ATOM 0 HB THR B 27 -10.608 -1.730 2.311 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.100 -0.397 3.476 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.950 -2.783 3.822 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.258 -3.807 2.400 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.770 -2.836 2.491 1.00 0.00 H new ATOM 737 N LYS B 28 -10.960 -0.072 -0.055 1.00 0.00 N ATOM 738 CA LYS B 28 -11.354 1.224 -0.675 1.00 0.00 C ATOM 739 C LYS B 28 -12.011 2.118 0.382 1.00 0.00 C ATOM 740 O LYS B 28 -12.636 1.629 1.303 1.00 0.00 O ATOM 741 CB LYS B 28 -12.346 0.966 -1.811 1.00 0.00 C ATOM 742 CG LYS B 28 -13.640 0.388 -1.237 1.00 0.00 C ATOM 743 CD LYS B 28 -14.597 0.039 -2.378 1.00 0.00 C ATOM 744 CE LYS B 28 -15.903 -0.507 -1.800 1.00 0.00 C ATOM 745 NZ LYS B 28 -15.882 -1.996 -1.844 1.00 0.00 N ATOM 0 H LYS B 28 -11.718 -0.586 0.395 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.468 1.720 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.555 1.894 -2.344 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.915 0.273 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.422 -0.502 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -14.106 1.109 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.796 0.924 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.141 -0.701 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.030 -0.165 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -16.752 -0.128 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.770 -2.367 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.780 -2.313 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.081 -2.349 -1.283 1.00 0.00 H new ATOM 759 N PRO B 29 -11.850 3.406 0.214 1.00 0.00 N ATOM 760 CA PRO B 29 -12.415 4.406 1.136 1.00 0.00 C ATOM 761 C PRO B 29 -13.911 4.599 0.864 1.00 0.00 C ATOM 762 O PRO B 29 -14.299 5.249 -0.087 1.00 0.00 O ATOM 763 CB PRO B 29 -11.632 5.679 0.809 1.00 0.00 C ATOM 764 CG PRO B 29 -11.085 5.499 -0.628 1.00 0.00 C ATOM 765 CD PRO B 29 -11.087 3.985 -0.912 1.00 0.00 C ATOM 0 HA PRO B 29 -12.332 4.118 2.184 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.274 6.557 0.873 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -10.818 5.827 1.519 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.707 6.029 -1.349 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.078 5.908 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.557 3.760 -1.869 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.073 3.586 -0.953 1.00 0.00 H new ATOM 773 N THR B 30 -14.751 4.041 1.691 1.00 0.00 N ATOM 774 CA THR B 30 -16.218 4.193 1.479 1.00 0.00 C ATOM 775 C THR B 30 -16.743 5.341 2.345 1.00 0.00 C ATOM 776 O THR B 30 -17.397 6.215 1.800 1.00 0.00 O ATOM 777 CB THR B 30 -16.928 2.895 1.868 1.00 0.00 C ATOM 778 OG1 THR B 30 -16.771 2.671 3.262 1.00 0.00 O ATOM 779 CG2 THR B 30 -16.324 1.727 1.090 1.00 0.00 C ATOM 780 OXT THR B 30 -16.481 5.325 3.536 1.00 0.00 O ATOM 0 H THR B 30 -14.485 3.486 2.505 1.00 0.00 H new ATOM 0 HA THR B 30 -16.412 4.412 0.429 1.00 0.00 H new ATOM 0 HB THR B 30 -17.989 2.976 1.630 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.629 3.527 3.717 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.831 0.803 1.369 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.446 1.900 0.021 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.263 1.643 1.325 1.00 0.00 H new TER 788 THR B 30