USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 282 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc=-0.000579 X(o=-0.00058,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0898 X(o=-0.09,f=0) USER MOD Single : A 19 THR OG1 : rot -42:sc= 1.1 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.013) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.155 K(o=-0.16,f=-0.8) USER MOD Single : A 42 ASN : amide:sc= -0.0866 X(o=-0.087,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.593 1.401 -2.282 1.00 0.00 N ATOM 2 CA GLY A 1 8.853 2.262 -1.379 1.00 0.00 C ATOM 3 C GLY A 1 8.647 3.654 -1.943 1.00 0.00 C ATOM 4 O GLY A 1 9.479 4.539 -1.749 1.00 0.00 O ATOM 0 H1 GLY A 1 9.707 0.462 -1.851 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.073 1.310 -3.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.530 1.814 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.883 1.812 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.386 2.333 -0.431 1.00 0.00 H new ATOM 8 N SER A 2 7.535 3.848 -2.645 1.00 0.00 N ATOM 9 CA SER A 2 7.224 5.140 -3.244 1.00 0.00 C ATOM 10 C SER A 2 7.167 6.232 -2.180 1.00 0.00 C ATOM 11 O SER A 2 6.608 6.034 -1.102 1.00 0.00 O ATOM 12 CB SER A 2 5.893 5.072 -3.994 1.00 0.00 C ATOM 13 OG SER A 2 5.527 6.344 -4.502 1.00 0.00 O ATOM 0 H SER A 2 6.834 3.126 -2.813 1.00 0.00 H new ATOM 0 HA SER A 2 8.017 5.386 -3.950 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.970 4.358 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.114 4.706 -3.325 1.00 0.00 H new ATOM 0 HG SER A 2 4.674 6.273 -4.978 1.00 0.00 H new ATOM 19 N MET A 3 7.749 7.385 -2.493 1.00 0.00 N ATOM 20 CA MET A 3 7.763 8.510 -1.565 1.00 0.00 C ATOM 21 C MET A 3 6.995 9.697 -2.137 1.00 0.00 C ATOM 22 O MET A 3 6.232 10.354 -1.429 1.00 0.00 O ATOM 23 CB MET A 3 9.203 8.922 -1.252 1.00 0.00 C ATOM 24 CG MET A 3 10.093 7.760 -0.843 1.00 0.00 C ATOM 25 SD MET A 3 11.486 8.277 0.178 1.00 0.00 S ATOM 26 CE MET A 3 12.861 7.653 -0.785 1.00 0.00 C ATOM 0 H MET A 3 8.217 7.565 -3.381 1.00 0.00 H new ATOM 0 HA MET A 3 7.274 8.194 -0.643 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.632 9.406 -2.129 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.195 9.662 -0.451 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.499 7.028 -0.296 1.00 0.00 H new ATOM 0 HG3 MET A 3 10.468 7.263 -1.737 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.797 7.895 -0.282 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.773 6.571 -0.887 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.851 8.112 -1.773 1.00 0.00 H new ATOM 36 N ILE A 4 7.202 9.966 -3.422 1.00 0.00 N ATOM 37 CA ILE A 4 6.528 11.074 -4.088 1.00 0.00 C ATOM 38 C ILE A 4 5.095 10.704 -4.455 1.00 0.00 C ATOM 39 O ILE A 4 4.786 9.538 -4.703 1.00 0.00 O ATOM 40 CB ILE A 4 7.278 11.504 -5.363 1.00 0.00 C ATOM 41 CG1 ILE A 4 7.388 10.329 -6.338 1.00 0.00 C ATOM 42 CG2 ILE A 4 8.658 12.038 -5.011 1.00 0.00 C ATOM 43 CD1 ILE A 4 7.817 10.737 -7.730 1.00 0.00 C ATOM 0 H ILE A 4 7.831 9.432 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 4 6.517 11.906 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 4 6.714 12.301 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.102 9.606 -5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.423 9.825 -6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.176 12.338 -5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.557 12.899 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.232 11.260 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.874 9.854 -8.367 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.091 11.437 -8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.796 11.215 -7.684 1.00 0.00 H new ATOM 55 N THR A 5 4.222 11.706 -4.490 1.00 0.00 N ATOM 56 CA THR A 5 2.821 11.488 -4.828 1.00 0.00 C ATOM 57 C THR A 5 2.158 12.781 -5.287 1.00 0.00 C ATOM 58 O THR A 5 2.630 13.883 -5.006 1.00 0.00 O ATOM 59 CB THR A 5 2.037 10.919 -3.630 1.00 0.00 C ATOM 60 OG1 THR A 5 2.617 11.375 -2.403 1.00 0.00 O ATOM 61 CG2 THR A 5 2.031 9.398 -3.660 1.00 0.00 C ATOM 0 H THR A 5 4.461 12.677 -4.288 1.00 0.00 H new ATOM 0 HA THR A 5 2.801 10.764 -5.643 1.00 0.00 H new ATOM 0 HB THR A 5 1.008 11.272 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.112 11.010 -1.647 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.472 9.019 -2.804 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.561 9.054 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.056 9.029 -3.615 1.00 0.00 H new ATOM 69 N PRO A 6 1.036 12.648 -6.009 1.00 0.00 N ATOM 70 CA PRO A 6 0.283 13.796 -6.521 1.00 0.00 C ATOM 71 C PRO A 6 -0.409 14.578 -5.410 1.00 0.00 C ATOM 72 O PRO A 6 -1.301 14.061 -4.737 1.00 0.00 O ATOM 73 CB PRO A 6 -0.753 13.156 -7.450 1.00 0.00 C ATOM 74 CG PRO A 6 -0.925 11.772 -6.927 1.00 0.00 C ATOM 75 CD PRO A 6 0.415 11.365 -6.382 1.00 0.00 C ATOM 0 HA PRO A 6 0.931 14.519 -7.016 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.694 13.706 -7.432 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.407 13.149 -8.484 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.688 11.741 -6.149 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.247 11.094 -7.717 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.315 10.702 -5.522 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.007 10.834 -7.127 1.00 0.00 H new ATOM 83 N SER A 7 0.007 15.826 -5.223 1.00 0.00 N ATOM 84 CA SER A 7 -0.572 16.678 -4.191 1.00 0.00 C ATOM 85 C SER A 7 -0.742 18.107 -4.698 1.00 0.00 C ATOM 86 O SER A 7 -0.584 19.069 -3.945 1.00 0.00 O ATOM 87 CB SER A 7 0.310 16.671 -2.940 1.00 0.00 C ATOM 88 OG SER A 7 0.332 15.387 -2.340 1.00 0.00 O ATOM 0 H SER A 7 0.743 16.270 -5.773 1.00 0.00 H new ATOM 0 HA SER A 7 -1.555 16.281 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.324 16.970 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.062 17.404 -2.224 1.00 0.00 H new ATOM 0 HG SER A 7 0.903 15.408 -1.544 1.00 0.00 H new ATOM 94 N CYS A 8 -1.065 18.239 -5.980 1.00 0.00 N ATOM 95 CA CYS A 8 -1.256 19.549 -6.591 1.00 0.00 C ATOM 96 C CYS A 8 -2.741 19.851 -6.773 1.00 0.00 C ATOM 97 O CYS A 8 -3.595 19.012 -6.489 1.00 0.00 O ATOM 98 CB CYS A 8 -0.541 19.614 -7.941 1.00 0.00 C ATOM 99 SG CYS A 8 0.382 21.160 -8.219 1.00 0.00 S ATOM 0 H CYS A 8 -1.200 17.454 -6.617 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.829 20.300 -5.926 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.148 18.773 -8.016 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.277 19.495 -8.736 1.00 0.00 H new ATOM 104 N GLN A 9 -3.039 21.056 -7.249 1.00 0.00 N ATOM 105 CA GLN A 9 -4.420 21.470 -7.469 1.00 0.00 C ATOM 106 C GLN A 9 -4.550 22.268 -8.762 1.00 0.00 C ATOM 107 O GLN A 9 -3.565 22.498 -9.464 1.00 0.00 O ATOM 108 CB GLN A 9 -4.919 22.304 -6.288 1.00 0.00 C ATOM 109 CG GLN A 9 -5.038 21.516 -4.993 1.00 0.00 C ATOM 110 CD GLN A 9 -4.688 22.344 -3.772 1.00 0.00 C ATOM 111 OE1 GLN A 9 -5.240 23.424 -3.561 1.00 0.00 O ATOM 112 NE2 GLN A 9 -3.767 21.839 -2.959 1.00 0.00 N ATOM 0 H GLN A 9 -2.343 21.762 -7.489 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.032 20.572 -7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.239 23.142 -6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.893 22.726 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.056 21.140 -4.893 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.381 20.647 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.335 20.940 -3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.491 22.350 -2.121 1.00 0.00 H new ATOM 121 N LYS A 10 -5.771 22.688 -9.072 1.00 0.00 N ATOM 122 CA LYS A 10 -6.031 23.462 -10.280 1.00 0.00 C ATOM 123 C LYS A 10 -5.725 22.641 -11.528 1.00 0.00 C ATOM 124 O LYS A 10 -5.505 23.191 -12.606 1.00 0.00 O ATOM 125 CB LYS A 10 -5.193 24.742 -10.281 1.00 0.00 C ATOM 126 CG LYS A 10 -6.024 26.013 -10.236 1.00 0.00 C ATOM 127 CD LYS A 10 -6.894 26.154 -11.474 1.00 0.00 C ATOM 128 CE LYS A 10 -6.058 26.436 -12.713 1.00 0.00 C ATOM 129 NZ LYS A 10 -6.871 27.040 -13.805 1.00 0.00 N ATOM 0 H LYS A 10 -6.597 22.505 -8.503 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.088 23.727 -10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.521 24.727 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.569 24.757 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.654 26.006 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.365 26.877 -10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.469 25.240 -11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.611 26.961 -11.326 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.241 27.109 -12.454 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.608 25.508 -13.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.265 27.217 -14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.636 26.387 -14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.280 27.938 -13.477 1.00 0.00 H new ATOM 143 N GLY A 11 -5.715 21.320 -11.375 1.00 0.00 N ATOM 144 CA GLY A 11 -5.436 20.445 -12.498 1.00 0.00 C ATOM 145 C GLY A 11 -3.952 20.219 -12.703 1.00 0.00 C ATOM 146 O GLY A 11 -3.549 19.388 -13.518 1.00 0.00 O ATOM 0 H GLY A 11 -5.895 20.841 -10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.928 19.485 -12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.863 20.875 -13.404 1.00 0.00 H new ATOM 150 N TYR A 12 -3.135 20.960 -11.963 1.00 0.00 N ATOM 151 CA TYR A 12 -1.686 20.840 -12.070 1.00 0.00 C ATOM 152 C TYR A 12 -1.213 19.479 -11.569 1.00 0.00 C ATOM 153 O TYR A 12 -1.917 18.803 -10.818 1.00 0.00 O ATOM 154 CB TYR A 12 -1.000 21.954 -11.277 1.00 0.00 C ATOM 155 CG TYR A 12 -1.044 23.301 -11.962 1.00 0.00 C ATOM 156 CD1 TYR A 12 -2.256 23.897 -12.288 1.00 0.00 C ATOM 157 CD2 TYR A 12 0.126 23.978 -12.283 1.00 0.00 C ATOM 158 CE1 TYR A 12 -2.300 25.127 -12.915 1.00 0.00 C ATOM 159 CE2 TYR A 12 0.091 25.209 -12.908 1.00 0.00 C ATOM 160 CZ TYR A 12 -1.124 25.779 -13.223 1.00 0.00 C ATOM 161 OH TYR A 12 -1.165 27.006 -13.846 1.00 0.00 O ATOM 0 H TYR A 12 -3.452 21.650 -11.282 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.417 20.933 -13.122 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.474 22.037 -10.299 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.040 21.678 -11.104 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.179 23.390 -12.047 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.080 23.534 -12.039 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.250 25.576 -13.163 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.010 25.722 -13.149 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.252 27.330 -13.991 1.00 0.00 H new ATOM 171 N PHE A 13 -0.017 19.083 -11.991 1.00 0.00 N ATOM 172 CA PHE A 13 0.551 17.802 -11.586 1.00 0.00 C ATOM 173 C PHE A 13 2.061 17.912 -11.397 1.00 0.00 C ATOM 174 O PHE A 13 2.748 18.656 -12.098 1.00 0.00 O ATOM 175 CB PHE A 13 0.233 16.727 -12.628 1.00 0.00 C ATOM 176 CG PHE A 13 1.287 16.591 -13.689 1.00 0.00 C ATOM 177 CD1 PHE A 13 1.578 17.650 -14.535 1.00 0.00 C ATOM 178 CD2 PHE A 13 1.986 15.405 -13.842 1.00 0.00 C ATOM 179 CE1 PHE A 13 2.546 17.527 -15.513 1.00 0.00 C ATOM 180 CE2 PHE A 13 2.956 15.277 -14.818 1.00 0.00 C ATOM 181 CZ PHE A 13 3.237 16.339 -15.654 1.00 0.00 C ATOM 0 H PHE A 13 0.578 19.630 -12.613 1.00 0.00 H new ATOM 0 HA PHE A 13 0.103 17.519 -10.633 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.110 15.768 -12.124 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.720 16.962 -13.102 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.042 18.582 -14.428 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.770 14.571 -13.191 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.762 18.359 -16.167 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.494 14.347 -14.927 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.995 16.241 -16.417 1.00 0.00 H new ATOM 191 N PRO A 14 2.592 17.155 -10.425 1.00 0.00 N ATOM 192 CA PRO A 14 4.026 17.150 -10.121 1.00 0.00 C ATOM 193 C PRO A 14 4.850 16.489 -11.221 1.00 0.00 C ATOM 194 O PRO A 14 4.426 15.500 -11.819 1.00 0.00 O ATOM 195 CB PRO A 14 4.110 16.335 -8.827 1.00 0.00 C ATOM 196 CG PRO A 14 2.908 15.457 -8.853 1.00 0.00 C ATOM 197 CD PRO A 14 1.834 16.246 -9.550 1.00 0.00 C ATOM 0 HA PRO A 14 4.428 18.159 -10.033 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.028 15.748 -8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.108 16.983 -7.950 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.115 14.527 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.600 15.187 -7.843 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.168 15.600 -10.122 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.214 16.795 -8.841 1.00 0.00 H new ATOM 205 N CYS A 15 6.030 17.042 -11.483 1.00 0.00 N ATOM 206 CA CYS A 15 6.914 16.507 -12.511 1.00 0.00 C ATOM 207 C CYS A 15 7.201 15.028 -12.266 1.00 0.00 C ATOM 208 O CYS A 15 6.841 14.479 -11.225 1.00 0.00 O ATOM 209 CB CYS A 15 8.226 17.293 -12.545 1.00 0.00 C ATOM 210 SG CYS A 15 8.947 17.465 -14.208 1.00 0.00 S ATOM 0 H CYS A 15 6.396 17.861 -10.997 1.00 0.00 H new ATOM 0 HA CYS A 15 6.413 16.608 -13.474 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.053 18.286 -12.131 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.950 16.799 -11.896 1.00 0.00 H new ATOM 215 N GLY A 16 7.851 14.389 -13.234 1.00 0.00 N ATOM 216 CA GLY A 16 8.175 12.980 -13.104 1.00 0.00 C ATOM 217 C GLY A 16 8.890 12.667 -11.805 1.00 0.00 C ATOM 218 O GLY A 16 8.395 11.891 -10.988 1.00 0.00 O ATOM 0 H GLY A 16 8.159 14.821 -14.105 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.258 12.393 -13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.801 12.676 -13.942 1.00 0.00 H new ATOM 222 N ASN A 17 10.059 13.270 -11.614 1.00 0.00 N ATOM 223 CA ASN A 17 10.844 13.049 -10.405 1.00 0.00 C ATOM 224 C ASN A 17 11.000 14.344 -9.613 1.00 0.00 C ATOM 225 O ASN A 17 11.160 14.322 -8.392 1.00 0.00 O ATOM 226 CB ASN A 17 12.222 12.488 -10.762 1.00 0.00 C ATOM 227 CG ASN A 17 12.830 11.683 -9.630 1.00 0.00 C ATOM 228 OD1 ASN A 17 12.907 10.456 -9.696 1.00 0.00 O ATOM 229 ND2 ASN A 17 13.266 12.373 -8.582 1.00 0.00 N ATOM 0 H ASN A 17 10.483 13.915 -12.281 1.00 0.00 H new ATOM 0 HA ASN A 17 10.314 12.326 -9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.136 11.858 -11.647 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.890 13.310 -11.019 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.685 11.886 -7.789 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.182 13.389 -8.570 1.00 0.00 H new ATOM 236 N LEU A 18 10.952 15.470 -10.316 1.00 0.00 N ATOM 237 CA LEU A 18 11.087 16.776 -9.679 1.00 0.00 C ATOM 238 C LEU A 18 9.858 17.100 -8.836 1.00 0.00 C ATOM 239 O LEU A 18 8.906 16.321 -8.780 1.00 0.00 O ATOM 240 CB LEU A 18 11.294 17.861 -10.737 1.00 0.00 C ATOM 241 CG LEU A 18 12.744 18.146 -11.132 1.00 0.00 C ATOM 242 CD1 LEU A 18 12.798 19.108 -12.308 1.00 0.00 C ATOM 243 CD2 LEU A 18 13.519 18.703 -9.947 1.00 0.00 C ATOM 0 H LEU A 18 10.821 15.505 -11.327 1.00 0.00 H new ATOM 0 HA LEU A 18 11.957 16.745 -9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.744 17.576 -11.634 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.850 18.787 -10.371 1.00 0.00 H new ATOM 0 HG LEU A 18 13.209 17.208 -11.436 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.838 19.299 -12.575 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.279 18.670 -13.161 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.316 20.046 -12.033 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.549 18.900 -10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.055 19.630 -9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.510 17.978 -9.133 1.00 0.00 H new ATOM 255 N THR A 19 9.884 18.256 -8.181 1.00 0.00 N ATOM 256 CA THR A 19 8.773 18.685 -7.341 1.00 0.00 C ATOM 257 C THR A 19 8.064 19.893 -7.941 1.00 0.00 C ATOM 258 O THR A 19 7.366 20.627 -7.241 1.00 0.00 O ATOM 259 CB THR A 19 9.247 19.036 -5.918 1.00 0.00 C ATOM 260 OG1 THR A 19 8.122 19.356 -5.091 1.00 0.00 O ATOM 261 CG2 THR A 19 10.214 20.210 -5.944 1.00 0.00 C ATOM 0 H THR A 19 10.664 18.913 -8.216 1.00 0.00 H new ATOM 0 HA THR A 19 8.076 17.848 -7.288 1.00 0.00 H new ATOM 0 HB THR A 19 9.764 18.169 -5.507 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.493 19.913 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.535 20.440 -4.928 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.083 19.952 -6.550 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.718 21.081 -6.373 1.00 0.00 H new ATOM 269 N LYS A 20 8.248 20.096 -9.241 1.00 0.00 N ATOM 270 CA LYS A 20 7.624 21.215 -9.937 1.00 0.00 C ATOM 271 C LYS A 20 6.254 20.823 -10.480 1.00 0.00 C ATOM 272 O LYS A 20 6.091 19.755 -11.071 1.00 0.00 O ATOM 273 CB LYS A 20 8.520 21.693 -11.082 1.00 0.00 C ATOM 274 CG LYS A 20 7.881 22.766 -11.947 1.00 0.00 C ATOM 275 CD LYS A 20 8.803 23.193 -13.077 1.00 0.00 C ATOM 276 CE LYS A 20 8.036 23.896 -14.186 1.00 0.00 C ATOM 277 NZ LYS A 20 8.597 25.243 -14.482 1.00 0.00 N ATOM 0 H LYS A 20 8.825 19.500 -9.834 1.00 0.00 H new ATOM 0 HA LYS A 20 7.493 22.027 -9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.451 22.079 -10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.780 20.840 -11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.945 22.391 -12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.633 23.631 -11.332 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.574 23.858 -12.688 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.312 22.319 -13.483 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.062 23.286 -15.089 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.989 23.994 -13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.046 25.689 -15.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.549 25.834 -13.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.588 25.148 -14.782 1.00 0.00 H new ATOM 291 N CYS A 21 5.271 21.693 -10.277 1.00 0.00 N ATOM 292 CA CYS A 21 3.914 21.439 -10.746 1.00 0.00 C ATOM 293 C CYS A 21 3.650 22.161 -12.065 1.00 0.00 C ATOM 294 O CYS A 21 3.849 23.372 -12.173 1.00 0.00 O ATOM 295 CB CYS A 21 2.896 21.886 -9.695 1.00 0.00 C ATOM 296 SG CYS A 21 2.350 20.556 -8.577 1.00 0.00 S ATOM 0 H CYS A 21 5.389 22.582 -9.790 1.00 0.00 H new ATOM 0 HA CYS A 21 3.809 20.367 -10.911 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.332 22.689 -9.101 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.025 22.301 -10.202 1.00 0.00 H new ATOM 301 N LEU A 22 3.203 21.410 -13.065 1.00 0.00 N ATOM 302 CA LEU A 22 2.911 21.977 -14.377 1.00 0.00 C ATOM 303 C LEU A 22 1.415 22.223 -14.543 1.00 0.00 C ATOM 304 O LEU A 22 0.582 21.613 -13.873 1.00 0.00 O ATOM 305 CB LEU A 22 3.412 21.044 -15.480 1.00 0.00 C ATOM 306 CG LEU A 22 4.904 21.126 -15.802 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.526 19.738 -15.809 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.124 21.817 -17.140 1.00 0.00 C ATOM 0 H LEU A 22 3.035 20.407 -12.993 1.00 0.00 H new ATOM 0 HA LEU A 22 3.428 22.933 -14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.178 20.018 -15.195 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.852 21.257 -16.391 1.00 0.00 H new ATOM 0 HG LEU A 22 5.391 21.716 -15.026 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.588 19.817 -16.040 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.401 19.278 -14.829 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.035 19.123 -16.563 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.192 21.866 -17.353 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.623 21.254 -17.927 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.715 22.827 -17.100 1.00 0.00 H new ATOM 320 N PRO A 23 1.064 23.138 -15.460 1.00 0.00 N ATOM 321 CA PRO A 23 -0.333 23.483 -15.738 1.00 0.00 C ATOM 322 C PRO A 23 -1.082 22.353 -16.436 1.00 0.00 C ATOM 323 O PRO A 23 -0.481 21.366 -16.858 1.00 0.00 O ATOM 324 CB PRO A 23 -0.221 24.700 -16.660 1.00 0.00 C ATOM 325 CG PRO A 23 1.111 24.558 -17.313 1.00 0.00 C ATOM 326 CD PRO A 23 2.004 23.904 -16.295 1.00 0.00 C ATOM 0 HA PRO A 23 -0.895 23.674 -14.824 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.024 24.714 -17.397 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.289 25.631 -16.097 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.040 23.952 -18.216 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.505 25.530 -17.611 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.743 23.256 -16.766 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.553 24.641 -15.709 1.00 0.00 H new ATOM 334 N ARG A 24 -2.397 22.505 -16.554 1.00 0.00 N ATOM 335 CA ARG A 24 -3.228 21.497 -17.200 1.00 0.00 C ATOM 336 C ARG A 24 -3.051 21.535 -18.715 1.00 0.00 C ATOM 337 O ARG A 24 -3.279 20.540 -19.402 1.00 0.00 O ATOM 338 CB ARG A 24 -4.700 21.712 -16.842 1.00 0.00 C ATOM 339 CG ARG A 24 -5.216 23.098 -17.195 1.00 0.00 C ATOM 340 CD ARG A 24 -5.977 23.090 -18.512 1.00 0.00 C ATOM 341 NE ARG A 24 -7.354 22.635 -18.345 1.00 0.00 N ATOM 342 CZ ARG A 24 -8.261 22.668 -19.315 1.00 0.00 C ATOM 343 NH1 ARG A 24 -7.938 23.132 -20.514 1.00 0.00 N ATOM 344 NH2 ARG A 24 -9.495 22.235 -19.086 1.00 0.00 N ATOM 0 H ARG A 24 -2.910 23.317 -16.210 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.913 20.518 -16.839 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.304 20.966 -17.359 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.833 21.545 -15.773 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.868 23.459 -16.399 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.379 23.793 -17.261 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.976 24.094 -18.937 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.465 22.442 -19.223 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.635 22.272 -17.434 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.991 23.465 -20.694 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.637 23.156 -21.257 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.747 21.877 -18.165 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.191 22.261 -19.831 1.00 0.00 H new ATOM 358 N ALA A 25 -2.643 22.691 -19.228 1.00 0.00 N ATOM 359 CA ALA A 25 -2.433 22.859 -20.661 1.00 0.00 C ATOM 360 C ALA A 25 -1.277 21.995 -21.152 1.00 0.00 C ATOM 361 O ALA A 25 -1.103 21.797 -22.355 1.00 0.00 O ATOM 362 CB ALA A 25 -2.177 24.323 -20.989 1.00 0.00 C ATOM 0 H ALA A 25 -2.451 23.525 -18.673 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.338 22.535 -21.176 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.022 24.434 -22.062 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.036 24.920 -20.683 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.289 24.665 -20.457 1.00 0.00 H new ATOM 368 N PHE A 26 -0.488 21.482 -20.214 1.00 0.00 N ATOM 369 CA PHE A 26 0.654 20.639 -20.551 1.00 0.00 C ATOM 370 C PHE A 26 0.218 19.448 -21.399 1.00 0.00 C ATOM 371 O PHE A 26 1.024 18.855 -22.117 1.00 0.00 O ATOM 372 CB PHE A 26 1.346 20.148 -19.279 1.00 0.00 C ATOM 373 CG PHE A 26 0.748 18.889 -18.719 1.00 0.00 C ATOM 374 CD1 PHE A 26 -0.567 18.865 -18.282 1.00 0.00 C ATOM 375 CD2 PHE A 26 1.501 17.729 -18.629 1.00 0.00 C ATOM 376 CE1 PHE A 26 -1.120 17.708 -17.767 1.00 0.00 C ATOM 377 CE2 PHE A 26 0.953 16.569 -18.115 1.00 0.00 C ATOM 378 CZ PHE A 26 -0.359 16.559 -17.682 1.00 0.00 C ATOM 0 H PHE A 26 -0.618 21.635 -19.214 1.00 0.00 H new ATOM 0 HA PHE A 26 1.357 21.237 -21.130 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.401 19.976 -19.492 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.297 20.932 -18.523 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.167 19.761 -18.345 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.528 17.732 -18.964 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.146 17.702 -17.431 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.550 15.671 -18.052 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.788 15.654 -17.278 1.00 0.00 H new ATOM 388 N HIS A 27 -1.063 19.103 -21.311 1.00 0.00 N ATOM 389 CA HIS A 27 -1.606 17.982 -22.070 1.00 0.00 C ATOM 390 C HIS A 27 -1.355 18.164 -23.564 1.00 0.00 C ATOM 391 O HIS A 27 -2.086 18.886 -24.243 1.00 0.00 O ATOM 392 CB HIS A 27 -3.106 17.841 -21.807 1.00 0.00 C ATOM 393 CG HIS A 27 -3.788 16.881 -22.732 1.00 0.00 C ATOM 394 ND1 HIS A 27 -3.934 15.539 -22.450 1.00 0.00 N ATOM 395 CD2 HIS A 27 -4.368 17.075 -23.939 1.00 0.00 C ATOM 396 CE1 HIS A 27 -4.572 14.949 -23.445 1.00 0.00 C ATOM 397 NE2 HIS A 27 -4.848 15.860 -24.362 1.00 0.00 N ATOM 0 H HIS A 27 -1.744 19.583 -20.722 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.099 17.074 -21.743 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -3.257 17.512 -20.779 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.577 18.820 -21.901 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.440 18.012 -24.471 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.825 13.900 -23.500 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.338 15.689 -25.240 1.00 0.00 H new ATOM 405 N CYS A 28 -0.317 17.507 -24.069 1.00 0.00 N ATOM 406 CA CYS A 28 0.033 17.597 -25.481 1.00 0.00 C ATOM 407 C CYS A 28 0.312 19.043 -25.881 1.00 0.00 C ATOM 408 O CYS A 28 -0.611 19.817 -26.134 1.00 0.00 O ATOM 409 CB CYS A 28 -1.094 17.026 -26.344 1.00 0.00 C ATOM 410 SG CYS A 28 -1.034 15.216 -26.544 1.00 0.00 S ATOM 0 H CYS A 28 0.297 16.905 -23.520 1.00 0.00 H new ATOM 0 HA CYS A 28 0.938 17.012 -25.644 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.051 17.300 -25.901 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.054 17.491 -27.329 1.00 0.00 H new ATOM 415 N ASP A 29 1.591 19.398 -25.938 1.00 0.00 N ATOM 416 CA ASP A 29 1.992 20.750 -26.309 1.00 0.00 C ATOM 417 C ASP A 29 2.889 20.731 -27.543 1.00 0.00 C ATOM 418 O ASP A 29 2.718 21.534 -28.459 1.00 0.00 O ATOM 419 CB ASP A 29 2.719 21.427 -25.145 1.00 0.00 C ATOM 420 CG ASP A 29 2.118 21.069 -23.800 1.00 0.00 C ATOM 421 OD1 ASP A 29 0.885 20.880 -23.733 1.00 0.00 O ATOM 422 OD2 ASP A 29 2.879 20.978 -22.814 1.00 0.00 O ATOM 0 H ASP A 29 2.367 18.769 -25.732 1.00 0.00 H new ATOM 0 HA ASP A 29 1.092 21.318 -26.545 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.770 21.137 -25.159 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.685 22.508 -25.279 1.00 0.00 H new ATOM 427 N GLY A 30 3.847 19.809 -27.558 1.00 0.00 N ATOM 428 CA GLY A 30 4.757 19.704 -28.683 1.00 0.00 C ATOM 429 C GLY A 30 6.210 19.665 -28.252 1.00 0.00 C ATOM 430 O GLY A 30 7.071 19.182 -28.988 1.00 0.00 O ATOM 0 H GLY A 30 4.009 19.133 -26.811 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.525 18.803 -29.251 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.602 20.551 -29.352 1.00 0.00 H new ATOM 434 N LYS A 31 6.485 20.176 -27.057 1.00 0.00 N ATOM 435 CA LYS A 31 7.843 20.198 -26.528 1.00 0.00 C ATOM 436 C LYS A 31 7.840 20.028 -25.012 1.00 0.00 C ATOM 437 O LYS A 31 6.781 20.001 -24.383 1.00 0.00 O ATOM 438 CB LYS A 31 8.537 21.510 -26.903 1.00 0.00 C ATOM 439 CG LYS A 31 7.714 22.746 -26.584 1.00 0.00 C ATOM 440 CD LYS A 31 8.573 23.999 -26.568 1.00 0.00 C ATOM 441 CE LYS A 31 8.879 24.448 -25.147 1.00 0.00 C ATOM 442 NZ LYS A 31 8.052 25.619 -24.745 1.00 0.00 N ATOM 0 H LYS A 31 5.784 20.581 -26.436 1.00 0.00 H new ATOM 0 HA LYS A 31 8.391 19.365 -26.968 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.489 21.571 -26.376 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.763 21.500 -27.969 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.921 22.857 -27.323 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.231 22.622 -25.615 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.506 23.809 -27.099 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.060 24.800 -27.101 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.698 23.622 -24.459 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.935 24.705 -25.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.290 25.894 -23.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.243 26.415 -25.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.044 25.367 -24.797 1.00 0.00 H new ATOM 456 N ASP A 32 9.029 19.915 -24.431 1.00 0.00 N ATOM 457 CA ASP A 32 9.163 19.750 -22.988 1.00 0.00 C ATOM 458 C ASP A 32 8.703 21.005 -22.253 1.00 0.00 C ATOM 459 O ASP A 32 9.033 22.124 -22.647 1.00 0.00 O ATOM 460 CB ASP A 32 10.614 19.433 -22.622 1.00 0.00 C ATOM 461 CG ASP A 32 11.596 20.397 -23.258 1.00 0.00 C ATOM 462 OD1 ASP A 32 11.936 20.202 -24.444 1.00 0.00 O ATOM 463 OD2 ASP A 32 12.023 21.348 -22.570 1.00 0.00 O ATOM 0 H ASP A 32 9.914 19.935 -24.937 1.00 0.00 H new ATOM 0 HA ASP A 32 8.529 18.918 -22.682 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.728 19.466 -21.538 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.851 18.417 -22.937 1.00 0.00 H new ATOM 468 N ASP A 33 7.938 20.811 -21.184 1.00 0.00 N ATOM 469 CA ASP A 33 7.432 21.927 -20.394 1.00 0.00 C ATOM 470 C ASP A 33 8.103 21.972 -19.024 1.00 0.00 C ATOM 471 O ASP A 33 8.230 23.035 -18.417 1.00 0.00 O ATOM 472 CB ASP A 33 5.916 21.817 -20.229 1.00 0.00 C ATOM 473 CG ASP A 33 5.180 21.937 -21.549 1.00 0.00 C ATOM 474 OD1 ASP A 33 5.448 21.120 -22.454 1.00 0.00 O ATOM 475 OD2 ASP A 33 4.336 22.850 -21.677 1.00 0.00 O ATOM 0 H ASP A 33 7.655 19.892 -20.845 1.00 0.00 H new ATOM 0 HA ASP A 33 7.666 22.850 -20.924 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.672 20.861 -19.766 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.570 22.597 -19.551 1.00 0.00 H new ATOM 480 N CYS A 34 8.531 20.809 -18.543 1.00 0.00 N ATOM 481 CA CYS A 34 9.187 20.714 -17.245 1.00 0.00 C ATOM 482 C CYS A 34 10.686 20.969 -17.373 1.00 0.00 C ATOM 483 O CYS A 34 11.338 21.396 -16.421 1.00 0.00 O ATOM 484 CB CYS A 34 8.945 19.335 -16.627 1.00 0.00 C ATOM 485 SG CYS A 34 8.921 19.330 -14.806 1.00 0.00 S ATOM 0 H CYS A 34 8.435 19.920 -19.033 1.00 0.00 H new ATOM 0 HA CYS A 34 8.760 21.477 -16.594 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.995 18.946 -16.993 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.722 18.653 -16.971 1.00 0.00 H new ATOM 490 N GLY A 35 11.227 20.703 -18.559 1.00 0.00 N ATOM 491 CA GLY A 35 12.644 20.910 -18.791 1.00 0.00 C ATOM 492 C GLY A 35 13.467 19.672 -18.492 1.00 0.00 C ATOM 493 O GLY A 35 14.617 19.565 -18.917 1.00 0.00 O ATOM 0 H GLY A 35 10.709 20.348 -19.363 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.800 21.204 -19.829 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.994 21.734 -18.170 1.00 0.00 H new ATOM 497 N ASN A 36 12.878 18.735 -17.757 1.00 0.00 N ATOM 498 CA ASN A 36 13.565 17.500 -17.399 1.00 0.00 C ATOM 499 C ASN A 36 13.210 16.378 -18.371 1.00 0.00 C ATOM 500 O ASN A 36 13.973 15.429 -18.545 1.00 0.00 O ATOM 501 CB ASN A 36 13.204 17.085 -15.971 1.00 0.00 C ATOM 502 CG ASN A 36 13.749 15.717 -15.610 1.00 0.00 C ATOM 503 OD1 ASN A 36 14.858 15.355 -16.003 1.00 0.00 O ATOM 504 ND2 ASN A 36 12.968 14.948 -14.860 1.00 0.00 N ATOM 0 H ASN A 36 11.926 18.807 -17.398 1.00 0.00 H new ATOM 0 HA ASN A 36 14.638 17.682 -17.457 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.594 17.824 -15.271 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.120 17.082 -15.860 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.280 14.016 -14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.056 15.289 -14.557 1.00 0.00 H new ATOM 511 N GLY A 37 12.046 16.497 -19.003 1.00 0.00 N ATOM 512 CA GLY A 37 11.610 15.487 -19.950 1.00 0.00 C ATOM 513 C GLY A 37 10.698 14.455 -19.318 1.00 0.00 C ATOM 514 O GLY A 37 10.842 13.257 -19.560 1.00 0.00 O ATOM 0 H GLY A 37 11.398 17.274 -18.876 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.089 15.970 -20.777 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.482 14.987 -20.371 1.00 0.00 H new ATOM 518 N ALA A 38 9.756 14.920 -18.503 1.00 0.00 N ATOM 519 CA ALA A 38 8.816 14.028 -17.835 1.00 0.00 C ATOM 520 C ALA A 38 7.385 14.302 -18.285 1.00 0.00 C ATOM 521 O ALA A 38 6.679 13.396 -18.728 1.00 0.00 O ATOM 522 CB ALA A 38 8.934 14.174 -16.325 1.00 0.00 C ATOM 0 H ALA A 38 9.624 15.909 -18.290 1.00 0.00 H new ATOM 0 HA ALA A 38 9.065 13.003 -18.111 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.227 13.503 -15.838 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.947 13.922 -16.013 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.712 15.203 -16.040 1.00 0.00 H new ATOM 528 N ASP A 39 6.963 15.556 -18.168 1.00 0.00 N ATOM 529 CA ASP A 39 5.615 15.950 -18.563 1.00 0.00 C ATOM 530 C ASP A 39 5.362 15.621 -20.031 1.00 0.00 C ATOM 531 O ASP A 39 4.216 15.474 -20.455 1.00 0.00 O ATOM 532 CB ASP A 39 5.405 17.445 -18.318 1.00 0.00 C ATOM 533 CG ASP A 39 5.965 18.299 -19.439 1.00 0.00 C ATOM 534 OD1 ASP A 39 7.181 18.583 -19.417 1.00 0.00 O ATOM 535 OD2 ASP A 39 5.187 18.683 -20.337 1.00 0.00 O ATOM 0 H ASP A 39 7.535 16.318 -17.803 1.00 0.00 H new ATOM 0 HA ASP A 39 4.905 15.388 -17.956 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.339 17.646 -18.209 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.880 17.727 -17.378 1.00 0.00 H new ATOM 540 N GLU A 40 6.439 15.508 -20.801 1.00 0.00 N ATOM 541 CA GLU A 40 6.332 15.199 -22.222 1.00 0.00 C ATOM 542 C GLU A 40 5.517 13.928 -22.443 1.00 0.00 C ATOM 543 O GLU A 40 4.784 13.811 -23.424 1.00 0.00 O ATOM 544 CB GLU A 40 7.723 15.038 -22.838 1.00 0.00 C ATOM 545 CG GLU A 40 8.463 16.353 -23.022 1.00 0.00 C ATOM 546 CD GLU A 40 8.107 17.045 -24.324 1.00 0.00 C ATOM 547 OE1 GLU A 40 6.922 17.394 -24.507 1.00 0.00 O ATOM 548 OE2 GLU A 40 9.015 17.238 -25.160 1.00 0.00 O ATOM 0 H GLU A 40 7.395 15.626 -20.465 1.00 0.00 H new ATOM 0 HA GLU A 40 5.820 16.028 -22.710 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.318 14.381 -22.204 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.628 14.546 -23.806 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.232 17.015 -22.188 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.537 16.168 -22.995 1.00 0.00 H new ATOM 555 N GLU A 41 5.652 12.978 -21.522 1.00 0.00 N ATOM 556 CA GLU A 41 4.929 11.715 -21.617 1.00 0.00 C ATOM 557 C GLU A 41 3.431 11.930 -21.423 1.00 0.00 C ATOM 558 O GLU A 41 2.950 13.063 -21.422 1.00 0.00 O ATOM 559 CB GLU A 41 5.452 10.723 -20.575 1.00 0.00 C ATOM 560 CG GLU A 41 6.963 10.570 -20.586 1.00 0.00 C ATOM 561 CD GLU A 41 7.464 9.805 -21.796 1.00 0.00 C ATOM 562 OE1 GLU A 41 6.625 9.230 -22.522 1.00 0.00 O ATOM 563 OE2 GLU A 41 8.692 9.782 -22.018 1.00 0.00 O ATOM 0 H GLU A 41 6.254 13.059 -20.703 1.00 0.00 H new ATOM 0 HA GLU A 41 5.094 11.305 -22.614 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.135 11.049 -19.584 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.995 9.749 -20.751 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.424 11.557 -20.569 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.279 10.055 -19.679 1.00 0.00 H new ATOM 570 N ASN A 42 2.698 10.833 -21.260 1.00 0.00 N ATOM 571 CA ASN A 42 1.254 10.901 -21.067 1.00 0.00 C ATOM 572 C ASN A 42 0.563 11.450 -22.312 1.00 0.00 C ATOM 573 O ASN A 42 -0.603 11.843 -22.266 1.00 0.00 O ATOM 574 CB ASN A 42 0.921 11.776 -19.857 1.00 0.00 C ATOM 575 CG ASN A 42 1.821 11.489 -18.671 1.00 0.00 C ATOM 576 OD1 ASN A 42 2.711 12.276 -18.349 1.00 0.00 O ATOM 577 ND2 ASN A 42 1.591 10.358 -18.014 1.00 0.00 N ATOM 0 H ASN A 42 3.080 9.887 -21.258 1.00 0.00 H new ATOM 0 HA ASN A 42 0.889 9.890 -20.887 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.014 12.826 -20.135 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.118 11.613 -19.569 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.163 10.112 -17.206 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.842 9.736 -18.317 1.00 0.00 H new ATOM 584 N CYS A 43 1.291 11.473 -23.423 1.00 0.00 N ATOM 585 CA CYS A 43 0.750 11.974 -24.681 1.00 0.00 C ATOM 586 C CYS A 43 1.474 11.349 -25.871 1.00 0.00 C ATOM 587 O CYS A 43 1.484 11.907 -26.967 1.00 0.00 O ATOM 588 CB CYS A 43 0.868 13.498 -24.741 1.00 0.00 C ATOM 589 SG CYS A 43 -0.732 14.367 -24.767 1.00 0.00 S ATOM 0 H CYS A 43 2.257 11.151 -23.478 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.303 11.696 -24.731 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.442 13.841 -23.880 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.433 13.773 -25.631 1.00 0.00 H new ATOM 594 N GLY A 44 2.078 10.187 -25.646 1.00 0.00 N ATOM 595 CA GLY A 44 2.795 9.505 -26.707 1.00 0.00 C ATOM 596 C GLY A 44 4.012 10.279 -27.175 1.00 0.00 C ATOM 597 O GLY A 44 4.770 10.766 -26.337 1.00 0.00 O ATOM 0 H GLY A 44 2.084 9.705 -24.747 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.107 8.521 -26.357 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.124 9.345 -27.551 1.00 0.00 H new TER 601 GLY A 44 HETATM 602 CA CA A 101 4.373 18.401 -23.225 1.00 0.00 CA