USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 430 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+ 159:sc= 0.743 (180deg=0.487) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0696 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 160:sc= 0.00817 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.304 USER MOD Single : A 43 ASN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -125:sc= 1.71 (180deg=-0.309) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 0.937 (180deg=0.827) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.757 -3.362 -2.733 1.00 0.00 N ATOM 2 CA GLY A 1 17.518 -2.688 -1.462 1.00 0.00 C ATOM 3 C GLY A 1 18.119 -1.289 -1.459 1.00 0.00 C ATOM 4 O GLY A 1 19.066 -1.011 -0.722 1.00 0.00 O ATOM 0 H1 GLY A 1 17.670 -4.390 -2.603 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.058 -3.041 -3.433 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.714 -3.136 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.446 -2.626 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.949 -3.274 -0.650 1.00 0.00 H new ATOM 10 N THR A 2 17.564 -0.410 -2.286 1.00 0.00 N ATOM 11 CA THR A 2 18.025 0.971 -2.359 1.00 0.00 C ATOM 12 C THR A 2 17.311 1.845 -1.337 1.00 0.00 C ATOM 13 O THR A 2 16.348 1.414 -0.703 1.00 0.00 O ATOM 14 CB THR A 2 17.813 1.565 -3.764 1.00 0.00 C ATOM 15 OG1 THR A 2 16.409 1.715 -4.015 1.00 0.00 O ATOM 16 CG2 THR A 2 18.420 0.658 -4.824 1.00 0.00 C ATOM 0 H THR A 2 16.793 -0.630 -2.916 1.00 0.00 H new ATOM 0 HA THR A 2 19.092 0.957 -2.138 1.00 0.00 H new ATOM 0 HB THR A 2 18.303 2.537 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.275 2.095 -4.909 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.261 1.094 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.490 0.552 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 2 17.945 -0.322 -4.779 1.00 0.00 H new ATOM 24 N ILE A 3 17.788 3.075 -1.181 1.00 0.00 N ATOM 25 CA ILE A 3 17.155 4.035 -0.285 1.00 0.00 C ATOM 26 C ILE A 3 15.732 4.346 -0.727 1.00 0.00 C ATOM 27 O ILE A 3 14.825 4.459 0.098 1.00 0.00 O ATOM 28 CB ILE A 3 17.957 5.347 -0.204 1.00 0.00 C ATOM 29 CG1 ILE A 3 19.299 5.111 0.493 1.00 0.00 C ATOM 30 CG2 ILE A 3 17.156 6.416 0.524 1.00 0.00 C ATOM 31 CD1 ILE A 3 20.258 6.275 0.380 1.00 0.00 C ATOM 0 H ILE A 3 18.613 3.431 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 3 17.132 3.574 0.703 1.00 0.00 H new ATOM 0 HB ILE A 3 18.153 5.696 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.118 4.902 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.768 4.223 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.738 7.337 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.226 6.602 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.930 6.076 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.186 6.033 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.470 6.471 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.810 7.160 0.832 1.00 0.00 H new ATOM 43 N ASP A 4 15.541 4.484 -2.034 1.00 0.00 N ATOM 44 CA ASP A 4 14.216 4.723 -2.595 1.00 0.00 C ATOM 45 C ASP A 4 13.297 3.530 -2.363 1.00 0.00 C ATOM 46 O ASP A 4 12.108 3.695 -2.090 1.00 0.00 O ATOM 47 CB ASP A 4 14.313 5.028 -4.092 1.00 0.00 C ATOM 48 CG ASP A 4 14.882 6.402 -4.418 1.00 0.00 C ATOM 49 OD1 ASP A 4 14.983 7.210 -3.525 1.00 0.00 O ATOM 50 OD2 ASP A 4 15.355 6.582 -5.515 1.00 0.00 O ATOM 0 H ASP A 4 16.288 4.434 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 4 13.790 5.587 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.935 4.269 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.319 4.946 -4.532 1.00 0.00 H new ATOM 55 N GLU A 5 13.855 2.329 -2.471 1.00 0.00 N ATOM 56 CA GLU A 5 13.104 1.109 -2.206 1.00 0.00 C ATOM 57 C GLU A 5 12.791 0.966 -0.722 1.00 0.00 C ATOM 58 O GLU A 5 11.774 0.383 -0.345 1.00 0.00 O ATOM 59 CB GLU A 5 13.879 -0.115 -2.699 1.00 0.00 C ATOM 60 CG GLU A 5 13.959 -0.240 -4.214 1.00 0.00 C ATOM 61 CD GLU A 5 14.867 -1.366 -4.622 1.00 0.00 C ATOM 62 OE1 GLU A 5 15.555 -1.886 -3.777 1.00 0.00 O ATOM 63 OE2 GLU A 5 14.793 -1.782 -5.755 1.00 0.00 O ATOM 0 H GLU A 5 14.827 2.175 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 5 12.161 1.174 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.891 -0.076 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.410 -1.013 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.962 -0.409 -4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.322 0.695 -4.640 1.00 0.00 H new ATOM 70 N TRP A 6 13.670 1.503 0.117 1.00 0.00 N ATOM 71 CA TRP A 6 13.444 1.518 1.558 1.00 0.00 C ATOM 72 C TRP A 6 12.297 2.449 1.927 1.00 0.00 C ATOM 73 O TRP A 6 11.474 2.127 2.784 1.00 0.00 O ATOM 74 CB TRP A 6 14.718 1.937 2.293 1.00 0.00 C ATOM 75 CG TRP A 6 15.813 0.917 2.224 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.677 -0.407 1.928 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.211 1.135 2.453 1.00 0.00 C ATOM 78 NE1 TRP A 6 16.902 -1.028 1.959 1.00 0.00 N ATOM 79 CE2 TRP A 6 17.861 -0.100 2.278 1.00 0.00 C ATOM 80 CE3 TRP A 6 17.977 2.259 2.789 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.230 -0.247 2.429 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.350 2.111 2.938 1.00 0.00 C ATOM 83 CH2 TRP A 6 19.959 0.894 2.763 1.00 0.00 C ATOM 0 H TRP A 6 14.547 1.934 -0.176 1.00 0.00 H new ATOM 0 HA TRP A 6 13.173 0.508 1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.079 2.875 1.871 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.478 2.130 3.339 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.741 -0.897 1.702 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.071 -2.017 1.775 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.509 3.222 2.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.712 -1.204 2.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 19.950 2.971 3.197 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.029 0.818 2.887 1.00 0.00 H new ATOM 94 N LEU A 7 12.248 3.606 1.275 1.00 0.00 N ATOM 95 CA LEU A 7 11.140 4.536 1.449 1.00 0.00 C ATOM 96 C LEU A 7 9.831 3.932 0.960 1.00 0.00 C ATOM 97 O LEU A 7 8.803 4.028 1.631 1.00 0.00 O ATOM 98 CB LEU A 7 11.430 5.850 0.711 1.00 0.00 C ATOM 99 CG LEU A 7 12.684 6.600 1.180 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.118 7.604 0.122 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.396 7.298 2.500 1.00 0.00 C ATOM 0 H LEU A 7 12.964 3.922 0.621 1.00 0.00 H new ATOM 0 HA LEU A 7 11.036 4.743 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.531 5.636 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.569 6.509 0.823 1.00 0.00 H new ATOM 0 HG LEU A 7 13.497 5.890 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.009 8.131 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.341 7.080 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.315 8.321 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.287 7.830 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.579 8.007 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.115 6.558 3.249 1.00 0.00 H new ATOM 113 N LEU A 8 9.873 3.310 -0.213 1.00 0.00 N ATOM 114 CA LEU A 8 8.703 2.642 -0.769 1.00 0.00 C ATOM 115 C LEU A 8 8.265 1.476 0.108 1.00 0.00 C ATOM 116 O LEU A 8 7.071 1.254 0.311 1.00 0.00 O ATOM 117 CB LEU A 8 8.997 2.156 -2.195 1.00 0.00 C ATOM 118 CG LEU A 8 8.000 1.135 -2.755 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.584 1.690 -2.676 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.368 0.798 -4.193 1.00 0.00 C ATOM 0 H LEU A 8 10.707 3.255 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 8 7.886 3.363 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.019 3.020 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.993 1.715 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 8 8.042 0.223 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.883 0.957 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.334 1.902 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.520 2.609 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.658 0.072 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.337 1.704 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.373 0.376 -4.222 1.00 0.00 H new ATOM 132 N LYS A 9 9.238 0.734 0.627 1.00 0.00 N ATOM 133 CA LYS A 9 8.964 -0.318 1.598 1.00 0.00 C ATOM 134 C LYS A 9 8.177 0.221 2.786 1.00 0.00 C ATOM 135 O LYS A 9 7.270 -0.439 3.293 1.00 0.00 O ATOM 136 CB LYS A 9 10.268 -0.957 2.077 1.00 0.00 C ATOM 137 CG LYS A 9 10.080 -2.129 3.032 1.00 0.00 C ATOM 138 CD LYS A 9 11.403 -2.820 3.326 1.00 0.00 C ATOM 139 CE LYS A 9 12.064 -3.319 2.049 1.00 0.00 C ATOM 140 NZ LYS A 9 13.427 -3.861 2.303 1.00 0.00 N ATOM 0 H LYS A 9 10.224 0.842 0.391 1.00 0.00 H new ATOM 0 HA LYS A 9 8.358 -1.078 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.832 -1.298 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.872 -0.195 2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.637 -1.775 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.381 -2.845 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.072 -2.127 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.235 -3.658 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.444 -4.094 1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.127 -2.502 1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.842 -4.190 1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.027 -3.115 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.365 -4.657 2.969 1.00 0.00 H new ATOM 154 N GLU A 10 8.530 1.423 3.227 1.00 0.00 N ATOM 155 CA GLU A 10 7.801 2.091 4.300 1.00 0.00 C ATOM 156 C GLU A 10 6.453 2.606 3.812 1.00 0.00 C ATOM 157 O GLU A 10 5.475 2.615 4.560 1.00 0.00 O ATOM 158 CB GLU A 10 8.629 3.243 4.873 1.00 0.00 C ATOM 159 CG GLU A 10 9.847 2.806 5.673 1.00 0.00 C ATOM 160 CD GLU A 10 10.665 3.987 6.114 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.321 5.090 5.760 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.567 3.802 6.898 1.00 0.00 O ATOM 0 H GLU A 10 9.317 1.956 2.858 1.00 0.00 H new ATOM 0 HA GLU A 10 7.621 1.359 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.958 3.881 4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.989 3.851 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.526 2.237 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.463 2.141 5.068 1.00 0.00 H new ATOM 169 N ALA A 11 6.409 3.034 2.555 1.00 0.00 N ATOM 170 CA ALA A 11 5.167 3.496 1.948 1.00 0.00 C ATOM 171 C ALA A 11 4.130 2.381 1.896 1.00 0.00 C ATOM 172 O ALA A 11 2.946 2.609 2.139 1.00 0.00 O ATOM 173 CB ALA A 11 5.431 4.044 0.553 1.00 0.00 C ATOM 0 H ALA A 11 7.220 3.070 1.937 1.00 0.00 H new ATOM 0 HA ALA A 11 4.766 4.297 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.494 4.385 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.128 4.880 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.861 3.260 -0.071 1.00 0.00 H new ATOM 179 N LYS A 12 4.584 1.173 1.577 1.00 0.00 N ATOM 180 CA LYS A 12 3.693 0.024 1.471 1.00 0.00 C ATOM 181 C LYS A 12 3.082 -0.326 2.821 1.00 0.00 C ATOM 182 O LYS A 12 1.877 -0.559 2.926 1.00 0.00 O ATOM 183 CB LYS A 12 4.442 -1.183 0.904 1.00 0.00 C ATOM 184 CG LYS A 12 4.892 -1.022 -0.542 1.00 0.00 C ATOM 185 CD LYS A 12 6.003 -2.003 -0.889 1.00 0.00 C ATOM 186 CE LYS A 12 6.378 -1.918 -2.361 1.00 0.00 C ATOM 187 NZ LYS A 12 7.353 -2.973 -2.749 1.00 0.00 N ATOM 0 H LYS A 12 5.564 0.965 1.387 1.00 0.00 H new ATOM 0 HA LYS A 12 2.884 0.291 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.317 -1.377 1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.800 -2.061 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.044 -1.179 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.241 -0.002 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.880 -1.794 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.682 -3.017 -0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.479 -2.013 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.803 -0.936 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.582 -2.880 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.221 -2.867 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.938 -3.910 -2.573 1.00 0.00 H new ATOM 201 N GLU A 13 3.918 -0.360 3.853 1.00 0.00 N ATOM 202 CA GLU A 13 3.470 -0.730 5.190 1.00 0.00 C ATOM 203 C GLU A 13 2.597 0.360 5.799 1.00 0.00 C ATOM 204 O GLU A 13 1.554 0.076 6.389 1.00 0.00 O ATOM 205 CB GLU A 13 4.669 -1.012 6.098 1.00 0.00 C ATOM 206 CG GLU A 13 5.441 -2.275 5.745 1.00 0.00 C ATOM 207 CD GLU A 13 6.667 -2.423 6.604 1.00 0.00 C ATOM 208 OE1 GLU A 13 6.926 -1.546 7.393 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.283 -3.461 6.552 1.00 0.00 O ATOM 0 H GLU A 13 4.911 -0.135 3.789 1.00 0.00 H new ATOM 0 HA GLU A 13 2.872 -1.637 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.349 -0.161 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.319 -1.090 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.797 -3.145 5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.731 -2.245 4.695 1.00 0.00 H new ATOM 216 N LYS A 14 3.029 1.607 5.653 1.00 0.00 N ATOM 217 CA LYS A 14 2.377 2.727 6.321 1.00 0.00 C ATOM 218 C LYS A 14 0.985 2.973 5.753 1.00 0.00 C ATOM 219 O LYS A 14 0.063 3.342 6.481 1.00 0.00 O ATOM 220 CB LYS A 14 3.226 3.993 6.198 1.00 0.00 C ATOM 221 CG LYS A 14 4.461 4.011 7.089 1.00 0.00 C ATOM 222 CD LYS A 14 5.229 5.317 6.944 1.00 0.00 C ATOM 223 CE LYS A 14 4.331 6.519 7.197 1.00 0.00 C ATOM 224 NZ LYS A 14 4.104 6.747 8.650 1.00 0.00 N ATOM 0 H LYS A 14 3.829 1.868 5.077 1.00 0.00 H new ATOM 0 HA LYS A 14 2.274 2.471 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.540 4.106 5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.606 4.856 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.164 3.875 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.110 3.174 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.063 5.330 7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.653 5.382 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.782 7.408 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.373 6.367 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.488 7.575 8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.650 5.909 9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.015 6.917 9.121 1.00 0.00 H new ATOM 238 N ALA A 15 0.838 2.767 4.449 1.00 0.00 N ATOM 239 CA ALA A 15 -0.397 3.108 3.753 1.00 0.00 C ATOM 240 C ALA A 15 -1.536 2.188 4.172 1.00 0.00 C ATOM 241 O ALA A 15 -2.654 2.642 4.418 1.00 0.00 O ATOM 242 CB ALA A 15 -0.190 3.047 2.246 1.00 0.00 C ATOM 0 H ALA A 15 1.560 2.365 3.852 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.670 4.127 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.121 3.304 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.587 3.754 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.112 2.039 1.961 1.00 0.00 H new ATOM 248 N ILE A 16 -1.248 0.893 4.250 1.00 0.00 N ATOM 249 CA ILE A 16 -2.275 -0.106 4.512 1.00 0.00 C ATOM 250 C ILE A 16 -2.730 -0.063 5.965 1.00 0.00 C ATOM 251 O ILE A 16 -3.839 -0.484 6.292 1.00 0.00 O ATOM 252 CB ILE A 16 -1.781 -1.526 4.181 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.264 -1.589 2.742 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.893 -2.541 4.394 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.154 -0.888 1.741 1.00 0.00 C ATOM 0 H ILE A 16 -0.309 0.511 4.135 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.118 0.135 3.864 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.960 -1.772 4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.270 -1.144 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.157 -2.634 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.525 -3.539 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.217 -2.513 5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.735 -2.300 3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.721 -0.976 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.143 -1.347 1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.241 0.166 2.007 1.00 0.00 H new ATOM 267 N GLU A 17 -1.865 0.449 6.834 1.00 0.00 N ATOM 268 CA GLU A 17 -2.202 0.614 8.244 1.00 0.00 C ATOM 269 C GLU A 17 -3.555 1.293 8.411 1.00 0.00 C ATOM 270 O GLU A 17 -4.313 0.972 9.325 1.00 0.00 O ATOM 271 CB GLU A 17 -1.117 1.418 8.964 1.00 0.00 C ATOM 272 CG GLU A 17 -1.337 1.570 10.462 1.00 0.00 C ATOM 273 CD GLU A 17 -0.203 2.318 11.107 1.00 0.00 C ATOM 274 OE1 GLU A 17 0.706 2.698 10.410 1.00 0.00 O ATOM 275 OE2 GLU A 17 -0.299 2.608 12.277 1.00 0.00 O ATOM 0 H GLU A 17 -0.925 0.757 6.587 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.262 -0.378 8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.154 0.936 8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.059 2.410 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.273 2.098 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.433 0.585 10.920 1.00 0.00 H new ATOM 282 N GLU A 18 -3.852 2.234 7.521 1.00 0.00 N ATOM 283 CA GLU A 18 -5.158 2.882 7.499 1.00 0.00 C ATOM 284 C GLU A 18 -6.259 1.889 7.149 1.00 0.00 C ATOM 285 O GLU A 18 -7.347 1.925 7.725 1.00 0.00 O ATOM 286 CB GLU A 18 -5.163 4.044 6.503 1.00 0.00 C ATOM 287 CG GLU A 18 -4.278 5.217 6.902 1.00 0.00 C ATOM 288 CD GLU A 18 -4.200 6.241 5.804 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.718 5.986 4.743 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.723 7.321 6.059 1.00 0.00 O ATOM 0 H GLU A 18 -3.205 2.565 6.805 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.354 3.271 8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.839 3.674 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.186 4.400 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.671 5.680 7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.277 4.856 7.137 1.00 0.00 H new ATOM 297 N LEU A 19 -5.972 1.003 6.201 1.00 0.00 N ATOM 298 CA LEU A 19 -6.919 -0.033 5.808 1.00 0.00 C ATOM 299 C LEU A 19 -7.186 -1.000 6.953 1.00 0.00 C ATOM 300 O LEU A 19 -8.312 -1.461 7.140 1.00 0.00 O ATOM 301 CB LEU A 19 -6.397 -0.790 4.580 1.00 0.00 C ATOM 302 CG LEU A 19 -6.909 -0.275 3.229 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.976 1.246 3.242 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.992 -0.764 2.117 1.00 0.00 C ATOM 0 H LEU A 19 -5.089 0.982 5.690 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.862 0.451 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.308 -0.743 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.670 -1.841 4.677 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.913 -0.660 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.341 1.602 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.654 1.574 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.982 1.652 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.357 -0.398 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.982 -0.391 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.980 -1.854 2.108 1.00 0.00 H new ATOM 316 N LYS A 20 -6.143 -1.305 7.719 1.00 0.00 N ATOM 317 CA LYS A 20 -6.283 -2.135 8.909 1.00 0.00 C ATOM 318 C LYS A 20 -7.210 -1.486 9.928 1.00 0.00 C ATOM 319 O LYS A 20 -8.014 -2.163 10.570 1.00 0.00 O ATOM 320 CB LYS A 20 -4.915 -2.404 9.538 1.00 0.00 C ATOM 321 CG LYS A 20 -3.958 -3.191 8.651 1.00 0.00 C ATOM 322 CD LYS A 20 -2.682 -3.550 9.396 1.00 0.00 C ATOM 323 CE LYS A 20 -1.676 -4.228 8.478 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.389 -4.507 9.172 1.00 0.00 N ATOM 0 H LYS A 20 -5.191 -0.989 7.536 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.725 -3.084 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.453 -1.451 9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.058 -2.950 10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.447 -4.101 8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.712 -2.603 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.240 -2.648 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.919 -4.211 10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.097 -5.162 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.491 -3.593 7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.268 -4.969 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.026 -3.614 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.561 -5.133 9.984 1.00 0.00 H new ATOM 338 N LYS A 21 -7.093 -0.170 10.073 1.00 0.00 N ATOM 339 CA LYS A 21 -8.007 0.592 10.916 1.00 0.00 C ATOM 340 C LYS A 21 -9.410 0.616 10.326 1.00 0.00 C ATOM 341 O LYS A 21 -10.397 0.735 11.051 1.00 0.00 O ATOM 342 CB LYS A 21 -7.492 2.019 11.109 1.00 0.00 C ATOM 343 CG LYS A 21 -6.248 2.128 11.981 1.00 0.00 C ATOM 344 CD LYS A 21 -5.750 3.563 12.059 1.00 0.00 C ATOM 345 CE LYS A 21 -4.470 3.662 12.875 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.940 5.051 12.911 1.00 0.00 N ATOM 0 H LYS A 21 -6.374 0.391 9.617 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.055 0.099 11.887 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.274 2.449 10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.285 2.621 11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.471 1.764 12.984 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.462 1.490 11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.572 3.943 11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.519 4.193 12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.661 3.320 13.892 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.717 2.997 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.068 5.075 13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.733 5.369 11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.648 5.682 13.339 1.00 0.00 H new ATOM 360 N ALA A 22 -9.494 0.502 9.005 1.00 0.00 N ATOM 361 CA ALA A 22 -10.769 0.601 8.305 1.00 0.00 C ATOM 362 C ALA A 22 -11.494 -0.738 8.289 1.00 0.00 C ATOM 363 O ALA A 22 -12.651 -0.824 7.876 1.00 0.00 O ATOM 364 CB ALA A 22 -10.558 1.110 6.887 1.00 0.00 C ATOM 0 H ALA A 22 -8.692 0.341 8.396 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.394 1.314 8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.519 1.178 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.094 2.096 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.909 0.421 6.346 1.00 0.00 H new ATOM 370 N GLY A 23 -10.808 -1.783 8.742 1.00 0.00 N ATOM 371 CA GLY A 23 -11.404 -3.110 8.830 1.00 0.00 C ATOM 372 C GLY A 23 -11.222 -3.883 7.529 1.00 0.00 C ATOM 373 O GLY A 23 -11.937 -4.850 7.265 1.00 0.00 O ATOM 0 H GLY A 23 -9.838 -1.735 9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.948 -3.663 9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.466 -3.020 9.057 1.00 0.00 H new ATOM 377 N ILE A 24 -10.261 -3.451 6.720 1.00 0.00 N ATOM 378 CA ILE A 24 -9.957 -4.126 5.464 1.00 0.00 C ATOM 379 C ILE A 24 -9.002 -5.292 5.682 1.00 0.00 C ATOM 380 O ILE A 24 -7.920 -5.124 6.245 1.00 0.00 O ATOM 381 CB ILE A 24 -9.343 -3.157 4.436 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.293 -1.985 4.175 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.025 -3.888 3.140 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.625 -2.397 3.592 1.00 0.00 C ATOM 0 H ILE A 24 -9.679 -2.636 6.912 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.902 -4.504 5.074 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.413 -2.762 4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.465 -1.454 5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.811 -1.283 3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.592 -3.189 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.314 -4.690 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.941 -4.310 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.243 -1.513 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.465 -2.901 2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.130 -3.075 4.281 1.00 0.00 H new ATOM 396 N THR A 25 -9.407 -6.474 5.232 1.00 0.00 N ATOM 397 CA THR A 25 -8.633 -7.688 5.460 1.00 0.00 C ATOM 398 C THR A 25 -8.325 -8.400 4.149 1.00 0.00 C ATOM 399 O THR A 25 -7.977 -9.581 4.139 1.00 0.00 O ATOM 400 CB THR A 25 -9.368 -8.661 6.400 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.645 -8.996 5.841 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.568 -8.030 7.769 1.00 0.00 C ATOM 0 H THR A 25 -10.269 -6.617 4.706 1.00 0.00 H new ATOM 0 HA THR A 25 -7.700 -7.379 5.931 1.00 0.00 H new ATOM 0 HB THR A 25 -8.764 -9.562 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.111 -9.617 6.439 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.089 -8.732 8.420 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.598 -7.785 8.202 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.160 -7.121 7.667 1.00 0.00 H new ATOM 410 N SER A 26 -8.457 -7.676 3.043 1.00 0.00 N ATOM 411 CA SER A 26 -8.233 -8.249 1.720 1.00 0.00 C ATOM 412 C SER A 26 -6.756 -8.227 1.353 1.00 0.00 C ATOM 413 O SER A 26 -6.232 -7.205 0.909 1.00 0.00 O ATOM 414 CB SER A 26 -9.047 -7.499 0.683 1.00 0.00 C ATOM 415 OG SER A 26 -8.815 -7.977 -0.613 1.00 0.00 O ATOM 0 H SER A 26 -8.718 -6.690 3.036 1.00 0.00 H new ATOM 0 HA SER A 26 -8.556 -9.290 1.741 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.107 -7.591 0.919 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.801 -6.438 0.727 1.00 0.00 H new ATOM 0 HG SER A 26 -9.558 -7.715 -1.196 1.00 0.00 H new ATOM 421 N ASP A 27 -6.088 -9.359 1.540 1.00 0.00 N ATOM 422 CA ASP A 27 -4.677 -9.484 1.194 1.00 0.00 C ATOM 423 C ASP A 27 -4.471 -9.408 -0.313 1.00 0.00 C ATOM 424 O ASP A 27 -3.374 -9.108 -0.784 1.00 0.00 O ATOM 425 CB ASP A 27 -4.105 -10.796 1.737 1.00 0.00 C ATOM 426 CG ASP A 27 -3.911 -10.820 3.247 1.00 0.00 C ATOM 427 OD1 ASP A 27 -3.988 -9.778 3.853 1.00 0.00 O ATOM 428 OD2 ASP A 27 -3.845 -11.892 3.800 1.00 0.00 O ATOM 0 H ASP A 27 -6.502 -10.206 1.930 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.147 -8.650 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.770 -11.612 1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.145 -10.986 1.256 1.00 0.00 H new ATOM 433 N TYR A 28 -5.532 -9.679 -1.065 1.00 0.00 N ATOM 434 CA TYR A 28 -5.486 -9.584 -2.519 1.00 0.00 C ATOM 435 C TYR A 28 -5.004 -8.209 -2.966 1.00 0.00 C ATOM 436 O TYR A 28 -4.040 -8.096 -3.724 1.00 0.00 O ATOM 437 CB TYR A 28 -6.863 -9.877 -3.119 1.00 0.00 C ATOM 438 CG TYR A 28 -6.926 -9.707 -4.620 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.463 -10.701 -5.471 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.451 -8.553 -5.183 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.519 -10.551 -6.843 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.513 -8.392 -6.554 1.00 0.00 C ATOM 443 CZ TYR A 28 -7.045 -9.393 -7.380 1.00 0.00 C ATOM 444 OH TYR A 28 -7.104 -9.238 -8.747 1.00 0.00 O ATOM 0 H TYR A 28 -6.436 -9.967 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.776 -10.329 -2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.149 -10.898 -2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.598 -9.217 -2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.052 -11.608 -5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.817 -7.767 -4.539 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.154 -11.334 -7.491 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.925 -7.488 -6.977 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.502 -8.368 -8.961 1.00 0.00 H new ATOM 454 N TYR A 29 -5.680 -7.169 -2.493 1.00 0.00 N ATOM 455 CA TYR A 29 -5.342 -5.801 -2.870 1.00 0.00 C ATOM 456 C TYR A 29 -4.060 -5.341 -2.188 1.00 0.00 C ATOM 457 O TYR A 29 -3.336 -4.494 -2.710 1.00 0.00 O ATOM 458 CB TYR A 29 -6.491 -4.851 -2.522 1.00 0.00 C ATOM 459 CG TYR A 29 -7.749 -5.088 -3.328 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.786 -4.810 -4.686 1.00 0.00 C ATOM 461 CD2 TYR A 29 -8.896 -5.588 -2.729 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.930 -5.024 -5.427 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.047 -5.807 -3.460 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.060 -5.524 -4.811 1.00 0.00 C ATOM 465 OH TYR A 29 -11.204 -5.737 -5.546 1.00 0.00 O ATOM 0 H TYR A 29 -6.466 -7.246 -1.847 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.180 -5.783 -3.948 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.726 -4.953 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.160 -3.824 -2.677 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.904 -4.419 -5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.889 -5.810 -1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.942 -4.801 -6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.931 -6.197 -2.978 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.906 -6.092 -4.962 1.00 0.00 H new ATOM 475 N PHE A 30 -3.784 -5.906 -1.017 1.00 0.00 N ATOM 476 CA PHE A 30 -2.518 -5.671 -0.333 1.00 0.00 C ATOM 477 C PHE A 30 -1.344 -6.192 -1.153 1.00 0.00 C ATOM 478 O PHE A 30 -0.222 -5.703 -1.030 1.00 0.00 O ATOM 479 CB PHE A 30 -2.527 -6.327 1.049 1.00 0.00 C ATOM 480 CG PHE A 30 -3.582 -5.784 1.970 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.537 -4.893 1.506 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.622 -6.165 3.303 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.507 -4.391 2.352 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.593 -5.667 4.151 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.534 -4.780 3.677 1.00 0.00 C ATOM 0 H PHE A 30 -4.421 -6.530 -0.522 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.398 -4.594 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.678 -7.400 0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.549 -6.192 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.523 -4.587 0.470 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.886 -6.859 3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.243 -3.695 1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.614 -5.974 5.186 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.292 -4.389 4.340 1.00 0.00 H new ATOM 495 N ASP A 31 -1.611 -7.190 -1.990 1.00 0.00 N ATOM 496 CA ASP A 31 -0.607 -7.702 -2.916 1.00 0.00 C ATOM 497 C ASP A 31 -0.280 -6.678 -3.995 1.00 0.00 C ATOM 498 O ASP A 31 0.863 -6.578 -4.443 1.00 0.00 O ATOM 499 CB ASP A 31 -1.085 -9.007 -3.556 1.00 0.00 C ATOM 500 CG ASP A 31 -0.011 -9.755 -4.335 1.00 0.00 C ATOM 501 OD1 ASP A 31 0.969 -10.136 -3.741 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.249 -10.078 -5.475 1.00 0.00 O ATOM 0 H ASP A 31 -2.514 -7.660 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 31 0.302 -7.899 -2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.472 -9.661 -2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.916 -8.786 -4.226 1.00 0.00 H new ATOM 507 N LEU A 32 -1.288 -5.919 -4.408 1.00 0.00 N ATOM 508 CA LEU A 32 -1.146 -5.003 -5.534 1.00 0.00 C ATOM 509 C LEU A 32 -0.150 -3.895 -5.221 1.00 0.00 C ATOM 510 O LEU A 32 0.602 -3.458 -6.093 1.00 0.00 O ATOM 511 CB LEU A 32 -2.509 -4.406 -5.907 1.00 0.00 C ATOM 512 CG LEU A 32 -3.296 -5.187 -6.967 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.567 -6.603 -6.478 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.600 -4.462 -7.269 1.00 0.00 C ATOM 0 H LEU A 32 -2.214 -5.920 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.763 -5.568 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.116 -4.336 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.356 -3.389 -6.267 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.709 -5.249 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.126 -7.149 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.621 -7.110 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.148 -6.565 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.159 -5.017 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.194 -4.387 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.382 -3.462 -7.643 1.00 0.00 H new ATOM 526 N ILE A 33 -0.148 -3.444 -3.971 1.00 0.00 N ATOM 527 CA ILE A 33 0.787 -2.416 -3.528 1.00 0.00 C ATOM 528 C ILE A 33 2.206 -2.963 -3.446 1.00 0.00 C ATOM 529 O ILE A 33 3.176 -2.204 -3.454 1.00 0.00 O ATOM 530 CB ILE A 33 0.387 -1.842 -2.157 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.411 -2.940 -1.090 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.987 -1.196 -2.231 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.900 -2.471 0.260 1.00 0.00 C ATOM 0 H ILE A 33 -0.784 -3.775 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 33 0.751 -1.617 -4.269 1.00 0.00 H new ATOM 0 HB ILE A 33 1.111 -1.076 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.594 -3.348 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.049 -3.754 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.254 -0.796 -1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.970 -0.388 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.724 -1.941 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.888 -3.305 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.917 -2.090 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.248 -1.678 0.628 1.00 0.00 H new ATOM 545 N ASN A 34 2.323 -4.285 -3.367 1.00 0.00 N ATOM 546 CA ASN A 34 3.619 -4.946 -3.459 1.00 0.00 C ATOM 547 C ASN A 34 4.108 -5.005 -4.900 1.00 0.00 C ATOM 548 O ASN A 34 5.305 -4.896 -5.164 1.00 0.00 O ATOM 549 CB ASN A 34 3.572 -6.341 -2.862 1.00 0.00 C ATOM 550 CG ASN A 34 3.436 -6.354 -1.364 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.807 -5.396 -0.678 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.980 -7.468 -0.849 1.00 0.00 N ATOM 0 H ASN A 34 1.535 -4.920 -3.239 1.00 0.00 H new ATOM 0 HA ASN A 34 4.326 -4.351 -2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.735 -6.885 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.480 -6.876 -3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.919 -7.574 0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.686 -8.230 -1.460 1.00 0.00 H new ATOM 559 N LYS A 35 3.175 -5.180 -5.829 1.00 0.00 N ATOM 560 CA LYS A 35 3.464 -5.006 -7.247 1.00 0.00 C ATOM 561 C LYS A 35 3.779 -3.550 -7.571 1.00 0.00 C ATOM 562 O LYS A 35 4.404 -3.253 -8.587 1.00 0.00 O ATOM 563 CB LYS A 35 2.288 -5.491 -8.097 1.00 0.00 C ATOM 564 CG LYS A 35 2.118 -7.004 -8.129 1.00 0.00 C ATOM 565 CD LYS A 35 0.937 -7.409 -8.999 1.00 0.00 C ATOM 566 CE LYS A 35 0.782 -8.922 -9.053 1.00 0.00 C ATOM 567 NZ LYS A 35 -0.368 -9.334 -9.903 1.00 0.00 N ATOM 0 H LYS A 35 2.211 -5.443 -5.625 1.00 0.00 H new ATOM 0 HA LYS A 35 4.343 -5.606 -7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.371 -5.042 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.420 -5.130 -9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.029 -7.466 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.971 -7.377 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.024 -6.962 -8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.075 -7.019 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.698 -9.367 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.644 -9.309 -8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.438 -10.372 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.246 -8.931 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.224 -8.988 -10.873 1.00 0.00 H new ATOM 581 N ALA A 36 3.341 -2.648 -6.700 1.00 0.00 N ATOM 582 CA ALA A 36 3.508 -1.218 -6.929 1.00 0.00 C ATOM 583 C ALA A 36 4.960 -0.796 -6.741 1.00 0.00 C ATOM 584 O ALA A 36 5.305 -0.149 -5.752 1.00 0.00 O ATOM 585 CB ALA A 36 2.597 -0.423 -6.004 1.00 0.00 C ATOM 0 H ALA A 36 2.867 -2.882 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 36 3.229 -1.007 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.733 0.643 -6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.559 -0.694 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.846 -0.648 -4.967 1.00 0.00 H new ATOM 591 N LYS A 37 5.807 -1.167 -7.695 1.00 0.00 N ATOM 592 CA LYS A 37 7.229 -0.858 -7.619 1.00 0.00 C ATOM 593 C LYS A 37 7.464 0.647 -7.573 1.00 0.00 C ATOM 594 O LYS A 37 8.594 1.104 -7.401 1.00 0.00 O ATOM 595 CB LYS A 37 7.975 -1.470 -8.805 1.00 0.00 C ATOM 596 CG LYS A 37 9.490 -1.487 -8.656 1.00 0.00 C ATOM 597 CD LYS A 37 10.147 -2.282 -9.774 1.00 0.00 C ATOM 598 CE LYS A 37 11.649 -2.405 -9.558 1.00 0.00 C ATOM 599 NZ LYS A 37 12.294 -3.245 -10.603 1.00 0.00 N ATOM 0 H LYS A 37 5.532 -1.683 -8.531 1.00 0.00 H new ATOM 0 HA LYS A 37 7.615 -1.292 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.625 -2.492 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.717 -0.914 -9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.870 -0.465 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.758 -1.921 -7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.703 -3.276 -9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.954 -1.796 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.099 -1.412 -9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.840 -2.837 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.316 -3.303 -10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.883 -4.200 -10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.134 -2.819 -11.538 1.00 0.00 H new ATOM 613 N THR A 38 6.389 1.414 -7.727 1.00 0.00 N ATOM 614 CA THR A 38 6.434 2.852 -7.492 1.00 0.00 C ATOM 615 C THR A 38 5.665 3.228 -6.232 1.00 0.00 C ATOM 616 O THR A 38 4.729 2.535 -5.835 1.00 0.00 O ATOM 617 CB THR A 38 5.860 3.637 -8.686 1.00 0.00 C ATOM 618 OG1 THR A 38 4.451 3.388 -8.792 1.00 0.00 O ATOM 619 CG2 THR A 38 6.544 3.220 -9.979 1.00 0.00 C ATOM 0 H THR A 38 5.475 1.063 -8.014 1.00 0.00 H new ATOM 0 HA THR A 38 7.484 3.118 -7.366 1.00 0.00 H new ATOM 0 HB THR A 38 6.037 4.700 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.086 3.889 -9.551 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.125 3.786 -10.811 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.613 3.420 -9.906 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.385 2.155 -10.148 1.00 0.00 H new ATOM 627 N VAL A 39 6.066 4.331 -5.608 1.00 0.00 N ATOM 628 CA VAL A 39 5.357 4.855 -4.447 1.00 0.00 C ATOM 629 C VAL A 39 3.973 5.362 -4.830 1.00 0.00 C ATOM 630 O VAL A 39 3.010 5.193 -4.081 1.00 0.00 O ATOM 631 CB VAL A 39 6.142 5.995 -3.772 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.303 6.648 -2.684 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.448 5.473 -3.194 1.00 0.00 C ATOM 0 H VAL A 39 6.879 4.879 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 39 5.256 4.030 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 39 6.374 6.746 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.873 7.451 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.393 7.057 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.041 5.905 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.990 6.292 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.236 4.702 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.056 5.050 -3.993 1.00 0.00 H new ATOM 643 N GLU A 40 3.879 5.984 -6.000 1.00 0.00 N ATOM 644 CA GLU A 40 2.611 6.517 -6.485 1.00 0.00 C ATOM 645 C GLU A 40 1.600 5.404 -6.722 1.00 0.00 C ATOM 646 O GLU A 40 0.402 5.583 -6.504 1.00 0.00 O ATOM 647 CB GLU A 40 2.824 7.317 -7.772 1.00 0.00 C ATOM 648 CG GLU A 40 3.559 8.636 -7.579 1.00 0.00 C ATOM 649 CD GLU A 40 3.824 9.312 -8.895 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.505 8.740 -9.909 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.242 10.446 -8.884 1.00 0.00 O ATOM 0 H GLU A 40 4.667 6.132 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 40 2.213 7.180 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.383 6.703 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.853 7.519 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.968 9.294 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.502 8.457 -7.063 1.00 0.00 H new ATOM 658 N GLY A 41 2.089 4.252 -7.170 1.00 0.00 N ATOM 659 CA GLY A 41 1.239 3.085 -7.375 1.00 0.00 C ATOM 660 C GLY A 41 0.555 2.668 -6.079 1.00 0.00 C ATOM 661 O GLY A 41 -0.651 2.423 -6.054 1.00 0.00 O ATOM 0 H GLY A 41 3.072 4.102 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.486 3.308 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.838 2.258 -7.756 1.00 0.00 H new ATOM 665 N VAL A 42 1.332 2.591 -5.004 1.00 0.00 N ATOM 666 CA VAL A 42 0.823 2.115 -3.723 1.00 0.00 C ATOM 667 C VAL A 42 -0.330 2.982 -3.233 1.00 0.00 C ATOM 668 O VAL A 42 -1.326 2.473 -2.718 1.00 0.00 O ATOM 669 CB VAL A 42 1.927 2.091 -2.650 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.335 1.776 -1.284 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.000 1.075 -3.011 1.00 0.00 C ATOM 0 H VAL A 42 2.318 2.852 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 42 0.466 1.098 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 42 2.387 3.078 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.129 1.763 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.602 2.538 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.849 0.801 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.772 1.072 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.553 0.083 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.445 1.341 -3.970 1.00 0.00 H new ATOM 681 N ASN A 43 -0.189 4.292 -3.396 1.00 0.00 N ATOM 682 CA ASN A 43 -1.234 5.231 -3.004 1.00 0.00 C ATOM 683 C ASN A 43 -2.423 5.158 -3.954 1.00 0.00 C ATOM 684 O ASN A 43 -3.576 5.178 -3.522 1.00 0.00 O ATOM 685 CB ASN A 43 -0.707 6.651 -2.931 1.00 0.00 C ATOM 686 CG ASN A 43 -1.703 7.641 -2.393 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.145 7.544 -1.243 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.119 8.542 -3.245 1.00 0.00 N ATOM 0 H ASN A 43 0.640 4.729 -3.798 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.569 4.942 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.183 6.666 -2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.398 6.966 -3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.842 9.208 -2.971 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.721 8.579 -4.183 1.00 0.00 H new ATOM 695 N ALA A 44 -2.136 5.072 -5.247 1.00 0.00 N ATOM 696 CA ALA A 44 -3.181 5.034 -6.263 1.00 0.00 C ATOM 697 C ALA A 44 -4.027 3.773 -6.136 1.00 0.00 C ATOM 698 O ALA A 44 -5.254 3.829 -6.202 1.00 0.00 O ATOM 699 CB ALA A 44 -2.572 5.129 -7.655 1.00 0.00 C ATOM 0 H ALA A 44 -1.187 5.027 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.834 5.893 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.365 5.099 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.021 6.065 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.893 4.291 -7.813 1.00 0.00 H new ATOM 705 N LEU A 45 -3.362 2.637 -5.955 1.00 0.00 N ATOM 706 CA LEU A 45 -4.052 1.363 -5.795 1.00 0.00 C ATOM 707 C LEU A 45 -4.917 1.358 -4.541 1.00 0.00 C ATOM 708 O LEU A 45 -6.108 1.049 -4.599 1.00 0.00 O ATOM 709 CB LEU A 45 -3.038 0.213 -5.748 1.00 0.00 C ATOM 710 CG LEU A 45 -2.167 0.059 -7.001 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.805 -0.509 -6.623 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.869 -0.844 -8.003 1.00 0.00 C ATOM 0 H LEU A 45 -2.345 2.573 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.707 1.223 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.386 0.360 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.578 -0.720 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.014 1.036 -7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.194 -0.615 -7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.311 0.166 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.935 -1.485 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.248 -0.952 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.035 -1.824 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.827 -0.404 -8.280 1.00 0.00 H new ATOM 724 N LYS A 46 -4.313 1.702 -3.411 1.00 0.00 N ATOM 725 CA LYS A 46 -5.018 1.706 -2.134 1.00 0.00 C ATOM 726 C LYS A 46 -6.181 2.688 -2.150 1.00 0.00 C ATOM 727 O LYS A 46 -7.209 2.460 -1.512 1.00 0.00 O ATOM 728 CB LYS A 46 -4.059 2.045 -0.992 1.00 0.00 C ATOM 729 CG LYS A 46 -4.549 1.623 0.386 1.00 0.00 C ATOM 730 CD LYS A 46 -3.874 2.432 1.485 1.00 0.00 C ATOM 731 CE LYS A 46 -4.395 3.861 1.520 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.722 4.672 2.570 1.00 0.00 N ATOM 0 H LYS A 46 -3.334 1.983 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.419 0.705 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.099 1.566 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.883 3.121 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.629 1.754 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.348 0.562 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.049 1.955 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.796 2.440 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.241 4.327 0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.470 3.851 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.438 5.089 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.086 4.064 3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.171 5.431 2.122 1.00 0.00 H new ATOM 746 N ASP A 47 -6.013 3.783 -2.884 1.00 0.00 N ATOM 747 CA ASP A 47 -6.992 4.864 -2.882 1.00 0.00 C ATOM 748 C ASP A 47 -8.407 4.327 -3.059 1.00 0.00 C ATOM 749 O ASP A 47 -9.344 4.793 -2.411 1.00 0.00 O ATOM 750 CB ASP A 47 -6.675 5.878 -3.984 1.00 0.00 C ATOM 751 CG ASP A 47 -7.468 7.175 -3.896 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.318 7.874 -2.922 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.096 7.531 -4.864 1.00 0.00 O ATOM 0 H ASP A 47 -5.207 3.945 -3.488 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.934 5.362 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.611 6.114 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.866 5.415 -4.952 1.00 0.00 H new ATOM 758 N GLU A 48 -8.555 3.343 -3.939 1.00 0.00 N ATOM 759 CA GLU A 48 -9.849 2.712 -4.174 1.00 0.00 C ATOM 760 C GLU A 48 -10.340 1.985 -2.929 1.00 0.00 C ATOM 761 O GLU A 48 -11.527 2.021 -2.606 1.00 0.00 O ATOM 762 CB GLU A 48 -9.766 1.741 -5.353 1.00 0.00 C ATOM 763 CG GLU A 48 -9.589 2.410 -6.708 1.00 0.00 C ATOM 764 CD GLU A 48 -9.400 1.393 -7.799 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.340 0.226 -7.494 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.429 1.770 -8.947 1.00 0.00 O ATOM 0 H GLU A 48 -7.794 2.964 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.565 3.498 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.933 1.058 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.673 1.137 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.461 3.025 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.728 3.077 -6.677 1.00 0.00 H new ATOM 773 N ILE A 49 -9.421 1.325 -2.234 1.00 0.00 N ATOM 774 CA ILE A 49 -9.768 0.537 -1.057 1.00 0.00 C ATOM 775 C ILE A 49 -10.073 1.433 0.136 1.00 0.00 C ATOM 776 O ILE A 49 -11.016 1.184 0.886 1.00 0.00 O ATOM 777 CB ILE A 49 -8.641 -0.441 -0.679 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.318 -1.366 -1.855 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.028 -1.251 0.549 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.468 -2.259 -2.262 1.00 0.00 C ATOM 0 H ILE A 49 -8.428 1.320 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.660 -0.035 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.748 0.137 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.020 -0.760 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.463 -1.988 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.220 -1.937 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.208 -0.578 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.934 -1.819 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.163 -2.885 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.752 -2.892 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.319 -1.645 -2.558 1.00 0.00 H new ATOM 792 N LEU A 50 -9.269 2.477 0.306 1.00 0.00 N ATOM 793 CA LEU A 50 -9.457 3.417 1.404 1.00 0.00 C ATOM 794 C LEU A 50 -10.778 4.163 1.271 1.00 0.00 C ATOM 795 O LEU A 50 -11.462 4.417 2.264 1.00 0.00 O ATOM 796 CB LEU A 50 -8.288 4.409 1.458 1.00 0.00 C ATOM 797 CG LEU A 50 -8.336 5.412 2.617 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.213 4.681 3.947 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.216 6.430 2.456 1.00 0.00 C ATOM 0 H LEU A 50 -8.480 2.693 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.484 2.849 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.357 3.846 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.259 4.963 0.520 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.291 5.936 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.248 5.402 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.036 3.974 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.266 4.142 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.251 7.143 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.254 5.917 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.340 6.961 1.512 1.00 0.00 H new ATOM 811 N LYS A 51 -11.135 4.511 0.039 1.00 0.00 N ATOM 812 CA LYS A 51 -12.388 5.206 -0.228 1.00 0.00 C ATOM 813 C LYS A 51 -13.570 4.246 -0.194 1.00 0.00 C ATOM 814 O LYS A 51 -14.703 4.650 0.068 1.00 0.00 O ATOM 815 CB LYS A 51 -12.328 5.918 -1.581 1.00 0.00 C ATOM 816 CG LYS A 51 -11.435 7.151 -1.605 1.00 0.00 C ATOM 817 CD LYS A 51 -11.288 7.702 -3.014 1.00 0.00 C ATOM 818 CE LYS A 51 -10.534 9.023 -3.018 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.173 9.455 -4.397 1.00 0.00 N ATOM 0 H LYS A 51 -10.573 4.322 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.530 5.948 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.974 5.213 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.338 6.210 -1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.854 7.919 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.452 6.898 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.761 6.979 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.274 7.843 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.146 9.791 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.628 8.925 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.863 10.447 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.402 8.857 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.002 9.362 -5.018 1.00 0.00 H new ATOM 833 N ALA A 52 -13.298 2.973 -0.460 1.00 0.00 N ATOM 834 CA ALA A 52 -14.332 1.944 -0.414 1.00 0.00 C ATOM 835 C ALA A 52 -14.837 1.734 1.008 1.00 0.00 C ATOM 836 O ALA A 52 -15.640 2.492 1.477 1.00 0.00 O ATOM 837 CB ALA A 52 -13.804 0.638 -0.991 1.00 0.00 C ATOM 838 OXT ALA A 52 -14.431 0.810 1.658 1.00 0.00 O ATOM 0 H ALA A 52 -12.371 2.629 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.172 2.281 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.586 -0.120 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.503 0.793 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.945 0.304 -0.410 1.00 0.00 H new TER 844 ALA A 52