USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 698 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 9 SER OG : rot -96:sc= -2.03! USER MOD Single : A 19 TYR OH : rot 180:sc= -0.349 USER MOD Single : A 22 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-0.21) USER MOD Single : A 24 ASN : amide:sc= -2.52! C(o=-2.5!,f=-6.5!) USER MOD Single : A 26 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.6) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.66) USER MOD Single : A 32 THR OG1 : rot -88:sc= -0.658 USER MOD Single : A 33 LYS NZ :NH3+ -148:sc= -1.64 (180deg=-3.47!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -22:sc= -1.85! USER MOD Single : A 42 GLN : amide:sc= -0.14 X(o=-0.14,f=0.27) USER MOD Single : A 43 LYS NZ :NH3+ -113:sc= -1.77 (180deg=-3.31!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.33) USER MOD Single : A 70 THR OG1 : rot 61:sc= -1.75! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc=-0.000528 USER MOD Single : A 77 SER OG : rot -92:sc= -0.31 USER MOD Single : A 79 THR OG1 : rot -117:sc= -1.43 USER MOD Single : A 87 GLN : amide:sc= -1.4! K(o=-1.4!,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 5.613 2.808 -15.415 1.00 0.00 N ATOM 20 CA TYR A 3 4.253 2.740 -14.894 1.00 0.00 C ATOM 21 C TYR A 3 4.081 3.695 -13.715 1.00 0.00 C ATOM 22 O TYR A 3 4.753 3.559 -12.692 1.00 0.00 O ATOM 23 CB TYR A 3 3.923 1.309 -14.463 1.00 0.00 C ATOM 24 CG TYR A 3 2.483 1.115 -14.048 1.00 0.00 C ATOM 25 CD1 TYR A 3 1.477 0.990 -14.999 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.128 1.055 -12.706 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.158 0.812 -14.623 1.00 0.00 C ATOM 28 CE2 TYR A 3 0.812 0.876 -12.323 1.00 0.00 C ATOM 29 CZ TYR A 3 -0.168 0.755 -13.285 1.00 0.00 C ATOM 30 OH TYR A 3 -1.479 0.578 -12.907 1.00 0.00 O ATOM 0 HA TYR A 3 3.566 3.039 -15.686 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.149 0.630 -15.285 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.572 1.031 -13.632 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.729 1.033 -16.048 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.893 1.150 -11.950 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.613 0.718 -15.374 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.553 0.831 -11.276 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.538 0.559 -11.929 1.00 0.00 H new ATOM 40 N TRP A 4 3.177 4.658 -13.864 1.00 0.00 N ATOM 41 CA TRP A 4 2.927 5.636 -12.810 1.00 0.00 C ATOM 42 C TRP A 4 1.429 5.905 -12.650 1.00 0.00 C ATOM 43 O TRP A 4 0.832 6.611 -13.463 1.00 0.00 O ATOM 44 CB TRP A 4 3.659 6.944 -13.119 1.00 0.00 C ATOM 45 CG TRP A 4 3.430 8.016 -12.097 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.475 8.992 -12.133 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.168 8.220 -10.887 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.575 9.790 -11.019 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.608 9.338 -10.239 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.250 7.567 -10.288 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.091 9.814 -9.024 1.00 0.00 C ATOM 52 CZ3 TRP A 4 5.729 8.042 -9.082 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.150 9.156 -8.460 1.00 0.00 C ATOM 0 H TRP A 4 2.607 4.782 -14.701 1.00 0.00 H new ATOM 0 HA TRP A 4 3.303 5.224 -11.874 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.728 6.744 -13.190 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.337 7.309 -14.094 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.748 9.118 -12.922 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.978 10.589 -10.807 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.703 6.707 -10.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.646 10.672 -8.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.564 7.546 -8.611 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.547 9.502 -7.517 1.00 0.00 H new ATOM 64 N PRO A 5 0.798 5.341 -11.601 1.00 0.00 N ATOM 65 CA PRO A 5 -0.631 5.536 -11.340 1.00 0.00 C ATOM 66 C PRO A 5 -0.934 6.958 -10.878 1.00 0.00 C ATOM 67 O PRO A 5 -0.026 7.710 -10.527 1.00 0.00 O ATOM 68 CB PRO A 5 -0.947 4.536 -10.216 1.00 0.00 C ATOM 69 CG PRO A 5 0.254 3.654 -10.107 1.00 0.00 C ATOM 70 CD PRO A 5 1.416 4.468 -10.594 1.00 0.00 C ATOM 0 HA PRO A 5 -1.230 5.380 -12.238 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.140 5.053 -9.276 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.839 3.955 -10.449 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.409 3.332 -9.077 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.131 2.753 -10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.875 5.041 -9.788 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.197 3.842 -11.025 1.00 0.00 H new ATOM 78 N ALA A 6 -2.213 7.321 -10.881 1.00 0.00 N ATOM 79 CA ALA A 6 -2.623 8.653 -10.453 1.00 0.00 C ATOM 80 C ALA A 6 -2.436 8.820 -8.948 1.00 0.00 C ATOM 81 O ALA A 6 -1.795 7.992 -8.301 1.00 0.00 O ATOM 82 CB ALA A 6 -4.070 8.918 -10.849 1.00 0.00 C ATOM 0 H ALA A 6 -2.979 6.715 -11.173 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.990 9.384 -10.955 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.360 9.917 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.169 8.848 -11.932 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.718 8.179 -10.377 1.00 0.00 H new ATOM 88 N ARG A 7 -2.995 9.890 -8.394 1.00 0.00 N ATOM 89 CA ARG A 7 -2.875 10.160 -6.965 1.00 0.00 C ATOM 90 C ARG A 7 -4.026 9.538 -6.180 1.00 0.00 C ATOM 91 O ARG A 7 -5.181 9.589 -6.605 1.00 0.00 O ATOM 92 CB ARG A 7 -2.828 11.668 -6.714 1.00 0.00 C ATOM 93 CG ARG A 7 -1.646 12.357 -7.374 1.00 0.00 C ATOM 94 CD ARG A 7 -1.647 13.853 -7.097 1.00 0.00 C ATOM 95 NE ARG A 7 -0.505 14.524 -7.713 1.00 0.00 N ATOM 96 CZ ARG A 7 -0.288 15.833 -7.633 1.00 0.00 C ATOM 97 NH1 ARG A 7 -1.132 16.610 -6.966 1.00 0.00 N ATOM 98 NH2 ARG A 7 0.774 16.367 -8.219 1.00 0.00 N ATOM 0 H ARG A 7 -3.535 10.584 -8.911 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.946 9.707 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.751 12.118 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.790 11.848 -5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.717 11.919 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.678 12.185 -8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.571 14.291 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.630 14.022 -6.020 1.00 0.00 H new ATOM 0 HE ARG A 7 0.163 13.956 -8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.950 16.203 -6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.963 17.614 -6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.426 15.773 -8.732 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.940 17.372 -8.157 1.00 0.00 H new ATOM 112 N HIS A 8 -3.695 8.949 -5.032 1.00 0.00 N ATOM 113 CA HIS A 8 -4.690 8.319 -4.165 1.00 0.00 C ATOM 114 C HIS A 8 -5.439 7.199 -4.886 1.00 0.00 C ATOM 115 O HIS A 8 -6.464 6.719 -4.403 1.00 0.00 O ATOM 116 CB HIS A 8 -5.685 9.364 -3.653 1.00 0.00 C ATOM 117 CG HIS A 8 -5.047 10.448 -2.841 1.00 0.00 C ATOM 118 ND1 HIS A 8 -5.033 10.446 -1.462 1.00 0.00 N ATOM 119 CD2 HIS A 8 -4.398 11.575 -3.221 1.00 0.00 C ATOM 120 CE1 HIS A 8 -4.406 11.525 -1.029 1.00 0.00 C ATOM 121 NE2 HIS A 8 -4.010 12.225 -2.075 1.00 0.00 N ATOM 0 H HIS A 8 -2.740 8.895 -4.679 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.159 7.879 -3.321 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.199 9.812 -4.503 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.443 8.867 -3.049 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.219 11.901 -4.235 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.245 11.789 0.006 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.498 13.107 -2.038 1.00 0.00 H new ATOM 130 N SER A 9 -4.922 6.782 -6.038 1.00 0.00 N ATOM 131 CA SER A 9 -5.550 5.714 -6.809 1.00 0.00 C ATOM 132 C SER A 9 -5.528 4.404 -6.029 1.00 0.00 C ATOM 133 O SER A 9 -4.857 4.297 -5.006 1.00 0.00 O ATOM 134 CB SER A 9 -4.835 5.529 -8.149 1.00 0.00 C ATOM 135 OG SER A 9 -4.912 6.706 -8.930 1.00 0.00 O ATOM 0 H SER A 9 -4.074 7.165 -6.457 1.00 0.00 H new ATOM 0 HA SER A 9 -6.586 5.996 -6.995 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.790 5.271 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.283 4.697 -8.693 1.00 0.00 H new ATOM 0 HG SER A 9 -5.661 6.634 -9.558 1.00 0.00 H new ATOM 141 N GLY A 10 -6.266 3.411 -6.515 1.00 0.00 N ATOM 142 CA GLY A 10 -6.300 2.130 -5.834 1.00 0.00 C ATOM 143 C GLY A 10 -4.915 1.542 -5.649 1.00 0.00 C ATOM 144 O GLY A 10 -4.472 1.325 -4.522 1.00 0.00 O ATOM 0 H GLY A 10 -6.835 3.469 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.774 2.251 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.915 1.434 -6.404 1.00 0.00 H new ATOM 148 N ALA A 11 -4.228 1.293 -6.758 1.00 0.00 N ATOM 149 CA ALA A 11 -2.882 0.732 -6.713 1.00 0.00 C ATOM 150 C ALA A 11 -1.918 1.666 -5.980 1.00 0.00 C ATOM 151 O ALA A 11 -0.934 1.222 -5.384 1.00 0.00 O ATOM 152 CB ALA A 11 -2.388 0.449 -8.124 1.00 0.00 C ATOM 0 H ALA A 11 -4.580 1.470 -7.699 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.920 -0.205 -6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.382 0.030 -8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.057 -0.263 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.370 1.377 -8.696 1.00 0.00 H new ATOM 158 N ARG A 12 -2.208 2.962 -6.034 1.00 0.00 N ATOM 159 CA ARG A 12 -1.374 3.965 -5.394 1.00 0.00 C ATOM 160 C ARG A 12 -1.402 3.823 -3.880 1.00 0.00 C ATOM 161 O ARG A 12 -0.367 3.660 -3.232 1.00 0.00 O ATOM 162 CB ARG A 12 -1.892 5.352 -5.772 1.00 0.00 C ATOM 163 CG ARG A 12 -0.854 6.452 -5.683 1.00 0.00 C ATOM 164 CD ARG A 12 -0.614 6.886 -4.246 1.00 0.00 C ATOM 165 NE ARG A 12 0.269 8.046 -4.167 1.00 0.00 N ATOM 166 CZ ARG A 12 0.239 8.928 -3.173 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.622 8.780 -2.175 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.070 9.960 -3.177 1.00 0.00 N ATOM 0 H ARG A 12 -3.021 3.341 -6.519 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.347 3.828 -5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.280 5.317 -6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.728 5.604 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.083 6.104 -6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.181 7.309 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.568 7.123 -3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.178 6.059 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 12 0.947 8.187 -4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.264 7.987 -2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.642 9.459 -1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.733 10.078 -3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.047 10.637 -2.414 1.00 0.00 H new ATOM 182 N VAL A 13 -2.606 3.877 -3.334 1.00 0.00 N ATOM 183 CA VAL A 13 -2.798 3.798 -1.900 1.00 0.00 C ATOM 184 C VAL A 13 -2.333 2.463 -1.317 1.00 0.00 C ATOM 185 O VAL A 13 -1.863 2.411 -0.181 1.00 0.00 O ATOM 186 CB VAL A 13 -4.275 4.025 -1.523 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.454 4.015 -0.016 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.785 5.334 -2.106 1.00 0.00 C ATOM 0 H VAL A 13 -3.469 3.976 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.183 4.589 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.859 3.207 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.504 4.177 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.134 3.052 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.853 4.809 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.829 5.474 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.192 6.161 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.700 5.306 -3.192 1.00 0.00 H new ATOM 198 N ILE A 14 -2.457 1.384 -2.089 1.00 0.00 N ATOM 199 CA ILE A 14 -2.064 0.070 -1.591 1.00 0.00 C ATOM 200 C ILE A 14 -0.546 -0.068 -1.427 1.00 0.00 C ATOM 201 O ILE A 14 -0.071 -0.446 -0.360 1.00 0.00 O ATOM 202 CB ILE A 14 -2.604 -1.074 -2.482 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.941 -1.084 -3.860 1.00 0.00 C ATOM 204 CG2 ILE A 14 -4.112 -0.968 -2.629 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.376 -2.241 -4.735 1.00 0.00 C ATOM 0 H ILE A 14 -2.819 1.393 -3.043 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.517 -0.017 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.358 -2.014 -1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.169 -0.148 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.859 -1.122 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.474 -1.781 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.579 -1.035 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.367 -0.012 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.865 -2.183 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.123 -3.182 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.453 -2.192 -4.893 1.00 0.00 H new ATOM 217 N LEU A 15 0.217 0.226 -2.475 1.00 0.00 N ATOM 218 CA LEU A 15 1.668 0.093 -2.357 1.00 0.00 C ATOM 219 C LEU A 15 2.237 1.055 -1.320 1.00 0.00 C ATOM 220 O LEU A 15 3.212 0.742 -0.639 1.00 0.00 O ATOM 221 CB LEU A 15 2.339 0.327 -3.709 1.00 0.00 C ATOM 222 CG LEU A 15 1.792 -0.526 -4.848 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.140 0.093 -6.189 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.340 -1.938 -4.752 1.00 0.00 C ATOM 0 H LEU A 15 -0.125 0.545 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 15 1.877 -0.924 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.230 1.378 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.407 0.132 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 15 0.706 -0.568 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.742 -0.529 -6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.705 1.090 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.223 0.163 -6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.943 -2.539 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.428 -1.911 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.043 -2.380 -3.801 1.00 0.00 H new ATOM 236 N LEU A 16 1.616 2.218 -1.192 1.00 0.00 N ATOM 237 CA LEU A 16 2.079 3.214 -0.252 1.00 0.00 C ATOM 238 C LEU A 16 1.787 2.785 1.180 1.00 0.00 C ATOM 239 O LEU A 16 2.620 2.930 2.081 1.00 0.00 O ATOM 240 CB LEU A 16 1.384 4.527 -0.565 1.00 0.00 C ATOM 241 CG LEU A 16 1.679 5.658 0.398 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.170 5.950 0.441 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.897 6.892 -0.003 1.00 0.00 C ATOM 0 H LEU A 16 0.792 2.490 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 16 3.159 3.332 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.671 4.841 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.308 4.355 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 16 1.369 5.360 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.361 6.766 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.706 5.059 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.514 6.235 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.113 7.702 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.184 7.193 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.170 6.670 0.019 1.00 0.00 H new ATOM 255 N VAL A 17 0.594 2.255 1.377 1.00 0.00 N ATOM 256 CA VAL A 17 0.170 1.798 2.686 1.00 0.00 C ATOM 257 C VAL A 17 0.969 0.566 3.114 1.00 0.00 C ATOM 258 O VAL A 17 1.388 0.461 4.268 1.00 0.00 O ATOM 259 CB VAL A 17 -1.340 1.512 2.690 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.664 0.152 2.107 1.00 0.00 C ATOM 261 CG2 VAL A 17 -1.910 1.647 4.086 1.00 0.00 C ATOM 0 H VAL A 17 -0.102 2.130 0.642 1.00 0.00 H new ATOM 0 HA VAL A 17 0.366 2.588 3.411 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.810 2.258 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.742 -0.006 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.313 0.105 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.171 -0.623 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.980 1.440 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.417 0.938 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.744 2.661 4.450 1.00 0.00 H new ATOM 271 N LEU A 18 1.175 -0.367 2.184 1.00 0.00 N ATOM 272 CA LEU A 18 1.966 -1.554 2.474 1.00 0.00 C ATOM 273 C LEU A 18 3.393 -1.140 2.774 1.00 0.00 C ATOM 274 O LEU A 18 4.115 -1.813 3.509 1.00 0.00 O ATOM 275 CB LEU A 18 1.957 -2.510 1.277 1.00 0.00 C ATOM 276 CG LEU A 18 0.809 -3.517 1.231 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.032 -4.625 2.245 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.531 -2.845 1.471 1.00 0.00 C ATOM 0 H LEU A 18 0.807 -0.321 1.234 1.00 0.00 H new ATOM 0 HA LEU A 18 1.535 -2.065 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.929 -1.916 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.897 -3.061 1.271 1.00 0.00 H new ATOM 0 HG LEU A 18 0.791 -3.951 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.205 -5.333 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.965 -5.142 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.087 -4.197 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.325 -3.591 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.529 -2.369 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.703 -2.091 0.703 1.00 0.00 H new ATOM 290 N TYR A 19 3.786 -0.014 2.187 1.00 0.00 N ATOM 291 CA TYR A 19 5.136 0.511 2.361 1.00 0.00 C ATOM 292 C TYR A 19 5.469 0.731 3.829 1.00 0.00 C ATOM 293 O TYR A 19 6.363 0.084 4.362 1.00 0.00 O ATOM 294 CB TYR A 19 5.295 1.820 1.585 1.00 0.00 C ATOM 295 CG TYR A 19 6.653 2.470 1.734 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.732 2.058 0.963 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.851 3.504 2.640 1.00 0.00 C ATOM 298 CE1 TYR A 19 8.971 2.658 1.092 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.086 4.108 2.777 1.00 0.00 C ATOM 300 CZ TYR A 19 9.143 3.682 2.001 1.00 0.00 C ATOM 301 OH TYR A 19 10.374 4.281 2.134 1.00 0.00 O ATOM 0 H TYR A 19 3.188 0.553 1.586 1.00 0.00 H new ATOM 0 HA TYR A 19 5.833 -0.230 1.969 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.111 1.627 0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.531 2.522 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.601 1.256 0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.025 3.842 3.248 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.800 2.327 0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.223 4.909 3.488 1.00 0.00 H new ATOM 0 HH TYR A 19 10.324 4.984 2.815 1.00 0.00 H new ATOM 311 N ARG A 20 4.724 1.602 4.496 1.00 0.00 N ATOM 312 CA ARG A 20 4.999 1.879 5.906 1.00 0.00 C ATOM 313 C ARG A 20 4.934 0.601 6.740 1.00 0.00 C ATOM 314 O ARG A 20 5.818 0.334 7.554 1.00 0.00 O ATOM 315 CB ARG A 20 4.028 2.926 6.446 1.00 0.00 C ATOM 316 CG ARG A 20 2.567 2.605 6.190 1.00 0.00 C ATOM 317 CD ARG A 20 1.690 3.811 6.465 1.00 0.00 C ATOM 318 NE ARG A 20 0.270 3.509 6.307 1.00 0.00 N ATOM 319 CZ ARG A 20 -0.694 4.418 6.414 1.00 0.00 C ATOM 320 NH1 ARG A 20 -0.393 5.683 6.672 1.00 0.00 N ATOM 321 NH2 ARG A 20 -1.962 4.061 6.264 1.00 0.00 N ATOM 0 H ARG A 20 3.941 2.120 4.098 1.00 0.00 H new ATOM 0 HA ARG A 20 6.011 2.276 5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.183 3.031 7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.262 3.890 5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.437 2.284 5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.257 1.774 6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.873 4.167 7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.965 4.620 5.788 1.00 0.00 H new ATOM 0 HE ARG A 20 0.003 2.546 6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.581 5.962 6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.136 6.378 6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.198 3.089 6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.701 4.759 6.346 1.00 0.00 H new ATOM 335 N GLU A 21 3.880 -0.177 6.532 1.00 0.00 N ATOM 336 CA GLU A 21 3.752 -1.426 7.275 1.00 0.00 C ATOM 337 C GLU A 21 4.963 -2.325 7.028 1.00 0.00 C ATOM 338 O GLU A 21 5.340 -3.125 7.881 1.00 0.00 O ATOM 339 CB GLU A 21 2.473 -2.156 6.872 1.00 0.00 C ATOM 340 CG GLU A 21 2.286 -3.483 7.584 1.00 0.00 C ATOM 341 CD GLU A 21 2.152 -3.327 9.087 1.00 0.00 C ATOM 342 OE1 GLU A 21 3.192 -3.315 9.777 1.00 0.00 O ATOM 343 OE2 GLU A 21 1.007 -3.216 9.572 1.00 0.00 O ATOM 0 H GLU A 21 3.124 0.023 5.878 1.00 0.00 H new ATOM 0 HA GLU A 21 3.704 -1.187 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.616 -1.516 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.486 -2.328 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.397 -3.978 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.134 -4.131 7.364 1.00 0.00 H new ATOM 350 N HIS A 22 5.567 -2.179 5.856 1.00 0.00 N ATOM 351 CA HIS A 22 6.734 -2.986 5.514 1.00 0.00 C ATOM 352 C HIS A 22 7.988 -2.471 6.217 1.00 0.00 C ATOM 353 O HIS A 22 8.796 -3.256 6.713 1.00 0.00 O ATOM 354 CB HIS A 22 6.937 -2.999 4.001 1.00 0.00 C ATOM 355 CG HIS A 22 8.236 -3.607 3.563 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.355 -4.917 3.152 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.475 -3.068 3.460 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.610 -5.159 2.815 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.309 -4.053 2.993 1.00 0.00 N ATOM 0 H HIS A 22 5.275 -1.520 5.135 1.00 0.00 H new ATOM 0 HA HIS A 22 6.555 -4.005 5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.117 -3.549 3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.883 -1.976 3.629 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.754 -2.053 3.700 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.998 -6.101 2.455 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.307 -3.948 2.813 1.00 0.00 H new ATOM 368 N LEU A 23 8.147 -1.151 6.258 1.00 0.00 N ATOM 369 CA LEU A 23 9.309 -0.548 6.906 1.00 0.00 C ATOM 370 C LEU A 23 9.289 -0.796 8.408 1.00 0.00 C ATOM 371 O LEU A 23 10.247 -0.473 9.110 1.00 0.00 O ATOM 372 CB LEU A 23 9.360 0.957 6.638 1.00 0.00 C ATOM 373 CG LEU A 23 9.878 1.350 5.257 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.842 1.061 4.186 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.276 2.818 5.236 1.00 0.00 C ATOM 0 H LEU A 23 7.492 -0.482 5.854 1.00 0.00 H new ATOM 0 HA LEU A 23 10.198 -1.016 6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.358 1.367 6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.993 1.424 7.393 1.00 0.00 H new ATOM 0 HG LEU A 23 10.761 0.749 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.236 1.350 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.610 -0.004 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.935 1.629 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.643 3.081 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.409 3.433 5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.061 2.993 5.972 1.00 0.00 H new ATOM 387 N ASN A 24 8.196 -1.373 8.890 1.00 0.00 N ATOM 388 CA ASN A 24 8.050 -1.658 10.313 1.00 0.00 C ATOM 389 C ASN A 24 9.183 -2.541 10.836 1.00 0.00 C ATOM 390 O ASN A 24 9.247 -3.730 10.524 1.00 0.00 O ATOM 391 CB ASN A 24 6.702 -2.323 10.587 1.00 0.00 C ATOM 392 CG ASN A 24 5.604 -1.306 10.811 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.969 -0.843 9.870 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.379 -0.951 12.069 1.00 0.00 N ATOM 0 H ASN A 24 7.399 -1.653 8.319 1.00 0.00 H new ATOM 0 HA ASN A 24 8.098 -0.706 10.842 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.436 -2.964 9.747 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.786 -2.965 11.464 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.653 -0.267 12.284 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.932 -1.362 12.821 1.00 0.00 H new ATOM 401 N PRO A 25 10.098 -1.962 11.640 1.00 0.00 N ATOM 402 CA PRO A 25 11.228 -2.699 12.218 1.00 0.00 C ATOM 403 C PRO A 25 10.774 -3.824 13.139 1.00 0.00 C ATOM 404 O PRO A 25 11.340 -4.917 13.125 1.00 0.00 O ATOM 405 CB PRO A 25 11.981 -1.642 13.033 1.00 0.00 C ATOM 406 CG PRO A 25 11.522 -0.330 12.498 1.00 0.00 C ATOM 407 CD PRO A 25 10.110 -0.544 12.037 1.00 0.00 C ATOM 0 HA PRO A 25 11.830 -3.172 11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.758 -1.733 14.096 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.059 -1.756 12.923 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.569 0.443 13.265 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.156 -0.001 11.675 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.392 -0.342 12.832 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.855 0.110 11.203 1.00 0.00 H new ATOM 415 N ASN A 26 9.750 -3.546 13.937 1.00 0.00 N ATOM 416 CA ASN A 26 9.242 -4.546 14.865 1.00 0.00 C ATOM 417 C ASN A 26 7.864 -5.036 14.439 1.00 0.00 C ATOM 418 O ASN A 26 7.337 -6.006 14.986 1.00 0.00 O ATOM 419 CB ASN A 26 9.187 -3.977 16.285 1.00 0.00 C ATOM 420 CG ASN A 26 8.702 -4.994 17.300 1.00 0.00 C ATOM 421 OD1 ASN A 26 7.506 -5.098 17.571 1.00 0.00 O ATOM 422 ND2 ASN A 26 9.633 -5.751 17.869 1.00 0.00 N ATOM 0 H ASN A 26 9.262 -2.651 13.960 1.00 0.00 H new ATOM 0 HA ASN A 26 9.924 -5.396 14.853 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.179 -3.627 16.571 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.527 -3.110 16.300 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.368 -6.452 18.560 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.613 -5.631 17.615 1.00 0.00 H new ATOM 429 N GLY A 27 7.291 -4.358 13.457 1.00 0.00 N ATOM 430 CA GLY A 27 5.980 -4.727 12.960 1.00 0.00 C ATOM 431 C GLY A 27 6.056 -5.741 11.839 1.00 0.00 C ATOM 432 O GLY A 27 7.146 -6.135 11.422 1.00 0.00 O ATOM 0 H GLY A 27 7.712 -3.554 12.992 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.386 -5.136 13.777 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.464 -3.835 12.606 1.00 0.00 H new ATOM 436 N HIS A 28 4.898 -6.166 11.350 1.00 0.00 N ATOM 437 CA HIS A 28 4.845 -7.137 10.267 1.00 0.00 C ATOM 438 C HIS A 28 5.071 -6.455 8.923 1.00 0.00 C ATOM 439 O HIS A 28 4.469 -5.422 8.634 1.00 0.00 O ATOM 440 CB HIS A 28 3.497 -7.858 10.265 1.00 0.00 C ATOM 441 CG HIS A 28 3.217 -8.606 11.532 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.439 -9.959 11.671 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.730 -8.182 12.722 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.100 -10.336 12.892 1.00 0.00 C ATOM 445 NE2 HIS A 28 2.667 -9.276 13.549 1.00 0.00 N ATOM 0 H HIS A 28 3.986 -5.854 11.685 1.00 0.00 H new ATOM 0 HA HIS A 28 5.638 -7.868 10.425 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.704 -7.128 10.101 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.468 -8.555 9.427 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.444 -7.171 12.974 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.166 -11.340 13.285 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.339 -9.271 14.515 1.00 0.00 H new ATOM 454 N HIS A 29 5.942 -7.038 8.105 1.00 0.00 N ATOM 455 CA HIS A 29 6.243 -6.487 6.787 1.00 0.00 C ATOM 456 C HIS A 29 5.125 -6.814 5.799 1.00 0.00 C ATOM 457 O HIS A 29 5.369 -7.001 4.608 1.00 0.00 O ATOM 458 CB HIS A 29 7.573 -7.041 6.273 1.00 0.00 C ATOM 459 CG HIS A 29 8.754 -6.619 7.091 1.00 0.00 C ATOM 460 ND1 HIS A 29 9.820 -5.918 6.568 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.038 -6.807 8.402 1.00 0.00 C ATOM 462 CE1 HIS A 29 10.708 -5.694 7.520 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.257 -6.222 8.642 1.00 0.00 N ATOM 0 H HIS A 29 6.452 -7.892 8.331 1.00 0.00 H new ATOM 0 HA HIS A 29 6.321 -5.404 6.878 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.522 -8.130 6.258 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.719 -6.715 5.243 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.421 -7.321 9.124 1.00 0.00 H new ATOM 0 HE1 HIS A 29 11.644 -5.168 7.400 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.736 -6.199 9.542 1.00 0.00 H new ATOM 472 N PHE A 30 3.899 -6.863 6.307 1.00 0.00 N ATOM 473 CA PHE A 30 2.735 -7.176 5.484 1.00 0.00 C ATOM 474 C PHE A 30 1.438 -6.799 6.190 1.00 0.00 C ATOM 475 O PHE A 30 1.444 -6.346 7.334 1.00 0.00 O ATOM 476 CB PHE A 30 2.698 -8.671 5.144 1.00 0.00 C ATOM 477 CG PHE A 30 2.510 -9.558 6.344 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.239 -9.838 6.822 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.602 -10.114 6.993 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.059 -10.654 7.921 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.428 -10.931 8.094 1.00 0.00 C ATOM 482 CZ PHE A 30 2.154 -11.201 8.559 1.00 0.00 C ATOM 0 H PHE A 30 3.684 -6.689 7.289 1.00 0.00 H new ATOM 0 HA PHE A 30 2.823 -6.592 4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.889 -8.854 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.627 -8.944 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.378 -9.412 6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.599 -9.906 6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.063 -10.864 8.281 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.286 -11.358 8.591 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.016 -11.839 9.420 1.00 0.00 H new ATOM 492 N LEU A 31 0.328 -7.005 5.490 1.00 0.00 N ATOM 493 CA LEU A 31 -0.993 -6.714 6.028 1.00 0.00 C ATOM 494 C LEU A 31 -2.063 -7.396 5.186 1.00 0.00 C ATOM 495 O LEU A 31 -1.873 -7.618 3.989 1.00 0.00 O ATOM 496 CB LEU A 31 -1.236 -5.206 6.061 1.00 0.00 C ATOM 497 CG LEU A 31 -1.044 -4.540 7.424 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.108 -3.027 7.290 1.00 0.00 C ATOM 499 CD2 LEU A 31 -2.091 -5.034 8.412 1.00 0.00 C ATOM 0 H LEU A 31 0.319 -7.376 4.540 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.045 -7.098 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.564 -4.731 5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.253 -5.012 5.721 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.059 -4.811 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.969 -2.569 8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.321 -2.688 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.079 -2.738 6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.939 -4.549 9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.086 -4.793 8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.999 -6.114 8.530 1.00 0.00 H new ATOM 511 N THR A 32 -3.186 -7.729 5.810 1.00 0.00 N ATOM 512 CA THR A 32 -4.265 -8.383 5.084 1.00 0.00 C ATOM 513 C THR A 32 -5.135 -7.353 4.374 1.00 0.00 C ATOM 514 O THR A 32 -5.290 -6.230 4.853 1.00 0.00 O ATOM 515 CB THR A 32 -5.142 -9.238 6.018 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.808 -8.401 6.969 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.300 -10.274 6.750 1.00 0.00 C ATOM 0 H THR A 32 -3.371 -7.561 6.799 1.00 0.00 H new ATOM 0 HA THR A 32 -3.805 -9.041 4.347 1.00 0.00 H new ATOM 0 HB THR A 32 -5.883 -9.756 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.237 -8.282 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.940 -10.867 7.404 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.817 -10.929 6.025 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.540 -9.769 7.346 1.00 0.00 H new ATOM 525 N LYS A 33 -5.701 -7.743 3.235 1.00 0.00 N ATOM 526 CA LYS A 33 -6.539 -6.821 2.471 1.00 0.00 C ATOM 527 C LYS A 33 -7.607 -6.186 3.352 1.00 0.00 C ATOM 528 O LYS A 33 -7.802 -4.972 3.320 1.00 0.00 O ATOM 529 CB LYS A 33 -7.204 -7.565 1.310 1.00 0.00 C ATOM 530 CG LYS A 33 -7.627 -6.672 0.150 1.00 0.00 C ATOM 531 CD LYS A 33 -8.894 -5.890 0.467 1.00 0.00 C ATOM 532 CE LYS A 33 -9.392 -5.116 -0.747 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.703 -4.459 -0.488 1.00 0.00 N ATOM 0 H LYS A 33 -5.599 -8.672 2.826 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.901 -6.027 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.514 -8.322 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.081 -8.091 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.821 -5.977 -0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.790 -7.283 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.671 -6.576 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.700 -5.198 1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.656 -4.361 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.487 -5.794 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.253 -4.423 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.229 -5.002 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.544 -3.492 -0.139 1.00 0.00 H new ATOM 547 N GLU A 34 -8.282 -7.007 4.145 1.00 0.00 N ATOM 548 CA GLU A 34 -9.328 -6.502 5.027 1.00 0.00 C ATOM 549 C GLU A 34 -8.790 -5.412 5.955 1.00 0.00 C ATOM 550 O GLU A 34 -9.491 -4.452 6.270 1.00 0.00 O ATOM 551 CB GLU A 34 -9.922 -7.645 5.851 1.00 0.00 C ATOM 552 CG GLU A 34 -8.901 -8.374 6.710 1.00 0.00 C ATOM 553 CD GLU A 34 -9.521 -9.486 7.533 1.00 0.00 C ATOM 554 OE1 GLU A 34 -9.590 -10.629 7.032 1.00 0.00 O ATOM 555 OE2 GLU A 34 -9.936 -9.215 8.679 1.00 0.00 O ATOM 0 H GLU A 34 -8.128 -8.014 4.197 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.110 -6.064 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.707 -7.248 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.394 -8.360 5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.124 -8.791 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.416 -7.660 7.376 1.00 0.00 H new ATOM 562 N GLU A 35 -7.541 -5.568 6.387 1.00 0.00 N ATOM 563 CA GLU A 35 -6.919 -4.593 7.276 1.00 0.00 C ATOM 564 C GLU A 35 -6.590 -3.307 6.529 1.00 0.00 C ATOM 565 O GLU A 35 -6.743 -2.209 7.065 1.00 0.00 O ATOM 566 CB GLU A 35 -5.649 -5.172 7.910 1.00 0.00 C ATOM 567 CG GLU A 35 -5.928 -6.228 8.967 1.00 0.00 C ATOM 568 CD GLU A 35 -4.659 -6.802 9.568 1.00 0.00 C ATOM 569 OE1 GLU A 35 -4.138 -7.795 9.018 1.00 0.00 O ATOM 570 OE2 GLU A 35 -4.188 -6.259 10.589 1.00 0.00 O ATOM 0 H GLU A 35 -6.943 -6.356 6.137 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.632 -4.360 8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.028 -5.607 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.075 -4.362 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.536 -5.792 9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.513 -7.034 8.524 1.00 0.00 H new ATOM 577 N LEU A 36 -6.139 -3.454 5.289 1.00 0.00 N ATOM 578 CA LEU A 36 -5.786 -2.295 4.480 1.00 0.00 C ATOM 579 C LEU A 36 -6.956 -1.322 4.355 1.00 0.00 C ATOM 580 O LEU A 36 -6.752 -0.116 4.238 1.00 0.00 O ATOM 581 CB LEU A 36 -5.322 -2.746 3.098 1.00 0.00 C ATOM 582 CG LEU A 36 -4.291 -3.875 3.099 1.00 0.00 C ATOM 583 CD1 LEU A 36 -3.865 -4.236 1.685 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.081 -3.492 3.934 1.00 0.00 C ATOM 0 H LEU A 36 -6.010 -4.354 4.826 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.972 -1.770 4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.192 -3.069 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.899 -1.888 2.576 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.760 -4.753 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.132 -5.042 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.735 -4.562 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.423 -3.363 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.358 -4.308 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.622 -2.595 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.394 -3.298 4.960 1.00 0.00 H new ATOM 596 N LEU A 37 -8.177 -1.849 4.368 1.00 0.00 N ATOM 597 CA LEU A 37 -9.371 -1.010 4.268 1.00 0.00 C ATOM 598 C LEU A 37 -9.327 0.116 5.297 1.00 0.00 C ATOM 599 O LEU A 37 -9.630 1.268 4.987 1.00 0.00 O ATOM 600 CB LEU A 37 -10.639 -1.848 4.473 1.00 0.00 C ATOM 601 CG LEU A 37 -11.197 -2.523 3.217 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.557 -1.486 2.164 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.202 -3.526 2.660 1.00 0.00 C ATOM 0 H LEU A 37 -8.367 -2.848 4.446 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.392 -0.574 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.428 -2.619 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.413 -1.206 4.893 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.105 -3.059 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.951 -1.987 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.311 -0.808 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.667 -0.919 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.618 -3.994 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.275 -3.014 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.998 -4.291 3.409 1.00 0.00 H new ATOM 615 N GLN A 38 -8.946 -0.231 6.522 1.00 0.00 N ATOM 616 CA GLN A 38 -8.858 0.762 7.587 1.00 0.00 C ATOM 617 C GLN A 38 -7.637 1.644 7.376 1.00 0.00 C ATOM 618 O GLN A 38 -7.674 2.853 7.602 1.00 0.00 O ATOM 619 CB GLN A 38 -8.784 0.078 8.953 1.00 0.00 C ATOM 620 CG GLN A 38 -9.977 -0.815 9.252 1.00 0.00 C ATOM 621 CD GLN A 38 -9.887 -1.471 10.616 1.00 0.00 C ATOM 622 OE1 GLN A 38 -10.358 -0.924 11.613 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.278 -2.650 10.667 1.00 0.00 N ATOM 0 H GLN A 38 -8.696 -1.180 6.800 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.754 1.383 7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.873 -0.518 9.002 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.708 0.841 9.728 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.891 -0.224 9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.049 -1.587 8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.902 -3.067 9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.186 -3.139 11.558 1.00 0.00 H new ATOM 632 N ARG A 39 -6.555 1.012 6.942 1.00 0.00 N ATOM 633 CA ARG A 39 -5.305 1.708 6.681 1.00 0.00 C ATOM 634 C ARG A 39 -5.513 2.860 5.706 1.00 0.00 C ATOM 635 O ARG A 39 -5.039 3.974 5.929 1.00 0.00 O ATOM 636 CB ARG A 39 -4.294 0.730 6.100 1.00 0.00 C ATOM 637 CG ARG A 39 -4.080 -0.510 6.946 1.00 0.00 C ATOM 638 CD ARG A 39 -3.284 -0.206 8.205 1.00 0.00 C ATOM 639 NE ARG A 39 -4.048 0.587 9.165 1.00 0.00 N ATOM 640 CZ ARG A 39 -3.543 1.060 10.300 1.00 0.00 C ATOM 641 NH1 ARG A 39 -2.278 0.820 10.618 1.00 0.00 N ATOM 642 NH2 ARG A 39 -4.303 1.774 11.118 1.00 0.00 N ATOM 0 H ARG A 39 -6.520 0.009 6.762 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.935 2.116 7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.626 0.427 5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.340 1.241 5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.046 -0.933 7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.557 -1.264 6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.976 -1.141 8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.374 0.330 7.936 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.025 0.789 8.952 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.690 0.271 9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.893 1.184 11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.276 1.961 10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.915 2.137 11.989 1.00 0.00 H new ATOM 656 N CYS A 40 -6.222 2.574 4.620 1.00 0.00 N ATOM 657 CA CYS A 40 -6.502 3.577 3.596 1.00 0.00 C ATOM 658 C CYS A 40 -7.165 4.808 4.204 1.00 0.00 C ATOM 659 O CYS A 40 -6.960 5.929 3.738 1.00 0.00 O ATOM 660 CB CYS A 40 -7.395 2.989 2.501 1.00 0.00 C ATOM 661 SG CYS A 40 -7.829 4.161 1.195 1.00 0.00 S ATOM 0 H CYS A 40 -6.615 1.653 4.424 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.553 3.880 3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.888 2.134 2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.311 2.614 2.957 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.696 5.375 1.640 1.00 0.00 H new ATOM 667 N ALA A 41 -7.962 4.592 5.246 1.00 0.00 N ATOM 668 CA ALA A 41 -8.647 5.692 5.916 1.00 0.00 C ATOM 669 C ALA A 41 -7.655 6.594 6.644 1.00 0.00 C ATOM 670 O ALA A 41 -8.040 7.598 7.243 1.00 0.00 O ATOM 671 CB ALA A 41 -9.686 5.155 6.889 1.00 0.00 C ATOM 0 H ALA A 41 -8.149 3.671 5.643 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.152 6.288 5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.188 5.988 7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.419 4.559 6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.196 4.533 7.638 1.00 0.00 H new ATOM 677 N GLN A 42 -6.377 6.228 6.586 1.00 0.00 N ATOM 678 CA GLN A 42 -5.364 7.038 7.251 1.00 0.00 C ATOM 679 C GLN A 42 -4.660 7.918 6.224 1.00 0.00 C ATOM 680 O GLN A 42 -4.123 8.976 6.551 1.00 0.00 O ATOM 681 CB GLN A 42 -4.349 6.146 7.969 1.00 0.00 C ATOM 682 CG GLN A 42 -3.275 6.923 8.715 1.00 0.00 C ATOM 683 CD GLN A 42 -3.851 7.847 9.770 1.00 0.00 C ATOM 684 OE1 GLN A 42 -4.158 9.007 9.495 1.00 0.00 O ATOM 685 NE2 GLN A 42 -4.001 7.336 10.986 1.00 0.00 N ATOM 0 H GLN A 42 -6.027 5.402 6.101 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.848 7.670 7.995 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.877 5.504 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.872 5.493 7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.587 6.222 9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -2.694 7.509 8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.733 6.369 11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.384 7.910 11.737 1.00 0.00 H new ATOM 694 N LYS A 43 -4.674 7.453 4.976 1.00 0.00 N ATOM 695 CA LYS A 43 -4.052 8.166 3.865 1.00 0.00 C ATOM 696 C LYS A 43 -4.473 9.627 3.853 1.00 0.00 C ATOM 697 O LYS A 43 -3.675 10.515 3.553 1.00 0.00 O ATOM 698 CB LYS A 43 -4.447 7.509 2.545 1.00 0.00 C ATOM 699 CG LYS A 43 -3.573 7.927 1.377 1.00 0.00 C ATOM 700 CD LYS A 43 -2.384 6.992 1.193 1.00 0.00 C ATOM 701 CE LYS A 43 -1.454 6.981 2.400 1.00 0.00 C ATOM 702 NZ LYS A 43 -1.897 6.013 3.441 1.00 0.00 N ATOM 0 H LYS A 43 -5.116 6.574 4.708 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.970 8.119 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.396 6.426 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.484 7.758 2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.169 7.940 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.214 8.943 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.747 5.981 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.822 7.294 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.444 6.728 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.409 7.981 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.198 6.531 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.693 5.452 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.109 5.379 3.683 1.00 0.00 H new ATOM 885 N PRO A 56 -9.318 -4.701 -5.651 1.00 0.00 N ATOM 886 CA PRO A 56 -8.916 -6.029 -6.125 1.00 0.00 C ATOM 887 C PRO A 56 -7.759 -5.955 -7.120 1.00 0.00 C ATOM 888 O PRO A 56 -7.129 -6.965 -7.435 1.00 0.00 O ATOM 889 CB PRO A 56 -10.177 -6.562 -6.805 1.00 0.00 C ATOM 890 CG PRO A 56 -11.296 -5.872 -6.108 1.00 0.00 C ATOM 891 CD PRO A 56 -10.781 -4.507 -5.739 1.00 0.00 C ATOM 0 HA PRO A 56 -8.558 -6.664 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.177 -6.340 -7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.254 -7.645 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.170 -5.797 -6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.603 -6.426 -5.221 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.042 -3.763 -6.491 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.198 -4.163 -4.792 1.00 0.00 H new ATOM 899 N ALA A 57 -7.491 -4.745 -7.612 1.00 0.00 N ATOM 900 CA ALA A 57 -6.410 -4.521 -8.565 1.00 0.00 C ATOM 901 C ALA A 57 -5.071 -4.981 -8.000 1.00 0.00 C ATOM 902 O ALA A 57 -4.168 -5.353 -8.750 1.00 0.00 O ATOM 903 CB ALA A 57 -6.343 -3.050 -8.946 1.00 0.00 C ATOM 0 H ALA A 57 -8.011 -3.904 -7.363 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.619 -5.111 -9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.532 -2.895 -9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.287 -2.748 -9.400 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.162 -2.451 -8.054 1.00 0.00 H new ATOM 909 N LEU A 58 -4.947 -4.952 -6.673 1.00 0.00 N ATOM 910 CA LEU A 58 -3.713 -5.366 -6.016 1.00 0.00 C ATOM 911 C LEU A 58 -3.259 -6.733 -6.517 1.00 0.00 C ATOM 912 O LEU A 58 -2.061 -7.010 -6.585 1.00 0.00 O ATOM 913 CB LEU A 58 -3.889 -5.375 -4.494 1.00 0.00 C ATOM 914 CG LEU A 58 -5.122 -6.114 -3.972 1.00 0.00 C ATOM 915 CD1 LEU A 58 -4.864 -7.610 -3.890 1.00 0.00 C ATOM 916 CD2 LEU A 58 -5.525 -5.567 -2.612 1.00 0.00 C ATOM 0 H LEU A 58 -5.684 -4.647 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.937 -4.643 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.003 -5.825 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.933 -4.343 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.942 -5.951 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.756 -8.113 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.621 -7.992 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.030 -7.799 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.404 -6.101 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.704 -5.702 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.757 -4.506 -2.701 1.00 0.00 H new ATOM 928 N ARG A 59 -4.220 -7.586 -6.862 1.00 0.00 N ATOM 929 CA ARG A 59 -3.883 -8.906 -7.379 1.00 0.00 C ATOM 930 C ARG A 59 -3.042 -8.760 -8.637 1.00 0.00 C ATOM 931 O ARG A 59 -2.008 -9.410 -8.790 1.00 0.00 O ATOM 932 CB ARG A 59 -5.152 -9.704 -7.681 1.00 0.00 C ATOM 933 CG ARG A 59 -6.041 -9.920 -6.467 1.00 0.00 C ATOM 934 CD ARG A 59 -7.290 -10.707 -6.825 1.00 0.00 C ATOM 935 NE ARG A 59 -8.150 -10.928 -5.664 1.00 0.00 N ATOM 936 CZ ARG A 59 -9.310 -11.575 -5.719 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.750 -12.061 -6.871 1.00 0.00 N ATOM 938 NH2 ARG A 59 -10.033 -11.734 -4.618 1.00 0.00 N ATOM 0 H ARG A 59 -5.219 -7.391 -6.795 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.311 -9.446 -6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.723 -9.184 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.872 -10.674 -8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.483 -10.452 -5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.325 -8.955 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.848 -10.171 -7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.003 -11.668 -7.252 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.843 -10.566 -4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.198 -11.939 -7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.641 -12.557 -6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.699 -11.360 -3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.923 -12.230 -4.660 1.00 0.00 H new ATOM 952 N SER A 60 -3.502 -7.897 -9.536 1.00 0.00 N ATOM 953 CA SER A 60 -2.780 -7.645 -10.773 1.00 0.00 C ATOM 954 C SER A 60 -1.405 -7.066 -10.470 1.00 0.00 C ATOM 955 O SER A 60 -0.452 -7.276 -11.219 1.00 0.00 O ATOM 956 CB SER A 60 -3.569 -6.687 -11.667 1.00 0.00 C ATOM 957 OG SER A 60 -4.833 -7.229 -12.007 1.00 0.00 O ATOM 0 H SER A 60 -4.366 -7.365 -9.431 1.00 0.00 H new ATOM 0 HA SER A 60 -2.656 -8.591 -11.301 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.705 -5.735 -11.154 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.002 -6.482 -12.575 1.00 0.00 H new ATOM 0 HG SER A 60 -5.318 -6.596 -12.577 1.00 0.00 H new ATOM 963 N LEU A 61 -1.308 -6.330 -9.363 1.00 0.00 N ATOM 964 CA LEU A 61 -0.044 -5.726 -8.965 1.00 0.00 C ATOM 965 C LEU A 61 0.986 -6.790 -8.599 1.00 0.00 C ATOM 966 O LEU A 61 2.177 -6.617 -8.856 1.00 0.00 O ATOM 967 CB LEU A 61 -0.243 -4.745 -7.808 1.00 0.00 C ATOM 968 CG LEU A 61 -0.605 -3.326 -8.241 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.113 -3.138 -8.287 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.041 -2.314 -7.315 1.00 0.00 C ATOM 0 H LEU A 61 -2.086 -6.140 -8.732 1.00 0.00 H new ATOM 0 HA LEU A 61 0.338 -5.169 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.030 -5.125 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.672 -4.709 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.222 -3.165 -9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.343 -2.119 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.546 -3.841 -8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.533 -3.319 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.225 -1.306 -7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.311 -2.476 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.124 -2.431 -7.347 1.00 0.00 H new ATOM 982 N LEU A 62 0.530 -7.887 -7.996 1.00 0.00 N ATOM 983 CA LEU A 62 1.428 -8.977 -7.635 1.00 0.00 C ATOM 984 C LEU A 62 2.194 -9.408 -8.872 1.00 0.00 C ATOM 985 O LEU A 62 3.388 -9.708 -8.820 1.00 0.00 O ATOM 986 CB LEU A 62 0.636 -10.169 -7.103 1.00 0.00 C ATOM 987 CG LEU A 62 -0.281 -9.894 -5.905 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.430 -10.888 -5.885 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.495 -9.975 -4.597 1.00 0.00 C ATOM 0 H LEU A 62 -0.448 -8.042 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 62 2.112 -8.633 -6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.028 -10.566 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.342 -10.951 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.681 -8.885 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.074 -10.683 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.007 -10.795 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.034 -11.900 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.177 -9.776 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.923 -10.972 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.295 -9.235 -4.602 1.00 0.00 H new ATOM 1001 N HIS A 63 1.475 -9.430 -9.987 1.00 0.00 N ATOM 1002 CA HIS A 63 2.039 -9.810 -11.269 1.00 0.00 C ATOM 1003 C HIS A 63 3.172 -8.869 -11.657 1.00 0.00 C ATOM 1004 O HIS A 63 4.236 -9.313 -12.089 1.00 0.00 O ATOM 1005 CB HIS A 63 0.946 -9.790 -12.338 1.00 0.00 C ATOM 1006 CG HIS A 63 1.408 -10.258 -13.684 1.00 0.00 C ATOM 1007 ND1 HIS A 63 1.222 -11.548 -14.137 1.00 0.00 N ATOM 1008 CD2 HIS A 63 2.049 -9.602 -14.680 1.00 0.00 C ATOM 1009 CE1 HIS A 63 1.729 -11.664 -15.351 1.00 0.00 C ATOM 1010 NE2 HIS A 63 2.236 -10.497 -15.704 1.00 0.00 N ATOM 0 H HIS A 63 0.486 -9.185 -10.025 1.00 0.00 H new ATOM 0 HA HIS A 63 2.445 -10.818 -11.189 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.118 -10.418 -12.010 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.559 -8.775 -12.430 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.356 -8.567 -14.671 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.729 -12.561 -15.953 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.692 -10.294 -16.593 1.00 0.00 H new ATOM 1019 N ARG A 64 2.940 -7.568 -11.502 1.00 0.00 N ATOM 1020 CA ARG A 64 3.951 -6.578 -11.831 1.00 0.00 C ATOM 1021 C ARG A 64 5.167 -6.746 -10.924 1.00 0.00 C ATOM 1022 O ARG A 64 6.278 -6.364 -11.292 1.00 0.00 O ATOM 1023 CB ARG A 64 3.368 -5.171 -11.705 1.00 0.00 C ATOM 1024 CG ARG A 64 2.183 -4.916 -12.623 1.00 0.00 C ATOM 1025 CD ARG A 64 2.584 -4.983 -14.089 1.00 0.00 C ATOM 1026 NE ARG A 64 1.451 -4.744 -14.978 1.00 0.00 N ATOM 1027 CZ ARG A 64 1.536 -4.758 -16.304 1.00 0.00 C ATOM 1028 NH1 ARG A 64 2.700 -5.000 -16.895 1.00 0.00 N ATOM 1029 NH2 ARG A 64 0.459 -4.531 -17.043 1.00 0.00 N ATOM 0 H ARG A 64 2.064 -7.180 -11.152 1.00 0.00 H new ATOM 0 HA ARG A 64 4.272 -6.725 -12.862 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.059 -5.007 -10.673 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.149 -4.443 -11.924 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.404 -5.652 -12.425 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.759 -3.936 -12.406 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.361 -4.245 -14.286 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.012 -5.962 -14.303 1.00 0.00 H new ATOM 0 HE ARG A 64 0.541 -4.555 -14.557 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.532 -5.176 -16.331 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.763 -5.010 -17.913 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.438 -4.345 -16.594 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.527 -4.542 -18.061 1.00 0.00 H new ATOM 1043 N ASN A 65 4.919 -7.298 -9.727 1.00 0.00 N ATOM 1044 CA ASN A 65 5.986 -7.568 -8.754 1.00 0.00 C ATOM 1045 C ASN A 65 6.196 -6.384 -7.823 1.00 0.00 C ATOM 1046 O ASN A 65 7.326 -6.042 -7.475 1.00 0.00 O ATOM 1047 CB ASN A 65 7.304 -7.950 -9.437 1.00 0.00 C ATOM 1048 CG ASN A 65 7.151 -9.135 -10.371 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.866 -9.252 -11.367 1.00 0.00 O ATOM 1050 ND2 ASN A 65 6.215 -10.025 -10.055 1.00 0.00 N ATOM 0 H ASN A 65 3.987 -7.566 -9.410 1.00 0.00 H new ATOM 0 HA ASN A 65 5.661 -8.422 -8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.680 -7.095 -9.999 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.049 -8.184 -8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.068 -10.842 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.644 -9.890 -9.221 1.00 0.00 H new ATOM 1057 N LEU A 66 5.092 -5.773 -7.418 1.00 0.00 N ATOM 1058 CA LEU A 66 5.126 -4.640 -6.506 1.00 0.00 C ATOM 1059 C LEU A 66 4.574 -5.060 -5.157 1.00 0.00 C ATOM 1060 O LEU A 66 4.865 -4.453 -4.126 1.00 0.00 O ATOM 1061 CB LEU A 66 4.318 -3.481 -7.073 1.00 0.00 C ATOM 1062 CG LEU A 66 4.955 -2.776 -8.269 1.00 0.00 C ATOM 1063 CD1 LEU A 66 5.120 -3.721 -9.439 1.00 0.00 C ATOM 1064 CD2 LEU A 66 4.138 -1.561 -8.676 1.00 0.00 C ATOM 0 H LEU A 66 4.154 -6.047 -7.710 1.00 0.00 H new ATOM 0 HA LEU A 66 6.157 -4.309 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.337 -3.852 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.157 -2.749 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 66 5.947 -2.440 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.576 -3.190 -10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.759 -4.554 -9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.144 -4.101 -9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.610 -1.074 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.130 -1.875 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.087 -0.861 -7.842 1.00 0.00 H new ATOM 1076 N VAL A 67 3.766 -6.108 -5.189 1.00 0.00 N ATOM 1077 CA VAL A 67 3.170 -6.669 -3.989 1.00 0.00 C ATOM 1078 C VAL A 67 3.409 -8.172 -3.956 1.00 0.00 C ATOM 1079 O VAL A 67 3.736 -8.777 -4.978 1.00 0.00 O ATOM 1080 CB VAL A 67 1.657 -6.387 -3.910 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.397 -4.920 -3.622 1.00 0.00 C ATOM 1082 CG2 VAL A 67 0.975 -6.798 -5.195 1.00 0.00 C ATOM 0 H VAL A 67 3.506 -6.593 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 67 3.643 -6.192 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 67 1.244 -6.976 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.323 -4.744 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.855 -4.649 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.827 -4.311 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.093 -6.592 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.397 -6.235 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.128 -7.864 -5.363 1.00 0.00 H new ATOM 1092 N LEU A 68 3.243 -8.772 -2.789 1.00 0.00 N ATOM 1093 CA LEU A 68 3.463 -10.203 -2.639 1.00 0.00 C ATOM 1094 C LEU A 68 2.313 -10.845 -1.875 1.00 0.00 C ATOM 1095 O LEU A 68 2.065 -10.494 -0.729 1.00 0.00 O ATOM 1096 CB LEU A 68 4.776 -10.439 -1.891 1.00 0.00 C ATOM 1097 CG LEU A 68 5.496 -11.752 -2.212 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.860 -11.788 -1.540 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.660 -12.946 -1.776 1.00 0.00 C ATOM 0 H LEU A 68 2.958 -8.294 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 68 3.516 -10.657 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.452 -9.612 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.573 -10.409 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 68 5.637 -11.808 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.358 -12.728 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.465 -10.955 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.736 -11.707 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.191 -13.868 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.485 -12.895 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.704 -12.932 -2.300 1.00 0.00 H new ATOM 1111 N ARG A 69 1.626 -11.794 -2.511 1.00 0.00 N ATOM 1112 CA ARG A 69 0.499 -12.468 -1.867 1.00 0.00 C ATOM 1113 C ARG A 69 0.978 -13.646 -1.029 1.00 0.00 C ATOM 1114 O ARG A 69 2.015 -14.243 -1.316 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.512 -12.957 -2.899 1.00 0.00 C ATOM 1116 CG ARG A 69 0.121 -13.660 -4.087 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.893 -14.508 -4.835 1.00 0.00 C ATOM 1118 NE ARG A 69 -0.308 -15.154 -6.007 1.00 0.00 N ATOM 1119 CZ ARG A 69 -0.996 -15.924 -6.844 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -2.290 -16.140 -6.642 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -0.392 -16.481 -7.885 1.00 0.00 N ATOM 0 H ARG A 69 1.827 -12.110 -3.460 1.00 0.00 H new ATOM 0 HA ARG A 69 0.014 -11.741 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.211 -13.639 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.092 -12.107 -3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.549 -12.920 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.942 -14.290 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.295 -15.268 -4.165 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.730 -13.883 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 69 0.684 -15.006 -6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.759 -15.715 -5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.815 -16.731 -7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.602 -16.319 -8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.922 -17.072 -8.526 1.00 0.00 H new ATOM 1135 N THR A 70 0.214 -13.980 0.004 1.00 0.00 N ATOM 1136 CA THR A 70 0.590 -15.076 0.884 1.00 0.00 C ATOM 1137 C THR A 70 -0.563 -16.065 1.107 1.00 0.00 C ATOM 1138 O THR A 70 -1.625 -15.958 0.497 1.00 0.00 O ATOM 1139 CB THR A 70 1.123 -14.540 2.226 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.900 -13.362 1.990 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.999 -15.565 2.929 1.00 0.00 C ATOM 0 H THR A 70 -0.659 -13.513 0.250 1.00 0.00 H new ATOM 0 HA THR A 70 1.389 -15.627 0.388 1.00 0.00 H new ATOM 0 HB THR A 70 0.266 -14.320 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.334 -12.672 1.584 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.357 -15.152 3.872 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.419 -16.467 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.850 -15.812 2.295 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.302 -17.046 1.962 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.237 -18.122 2.289 1.00 0.00 C ATOM 1151 C HIS A 71 -2.724 -17.749 2.249 1.00 0.00 C ATOM 1152 O HIS A 71 -3.475 -18.325 1.462 1.00 0.00 O ATOM 1153 CB HIS A 71 -0.921 -18.563 3.708 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.310 -19.922 3.809 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.014 -21.088 3.598 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.956 -20.294 4.103 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.205 -22.122 3.759 1.00 0.00 C ATOM 1158 NE2 HIS A 71 0.997 -21.666 4.064 1.00 0.00 N ATOM 0 H HIS A 71 0.585 -17.120 2.460 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.101 -18.889 1.527 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.243 -17.838 4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.840 -18.546 4.294 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.782 -19.635 4.327 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.480 -23.162 3.658 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.821 -22.240 4.242 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.139 -16.776 3.066 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.563 -16.411 3.073 1.00 0.00 C ATOM 1169 C GLN A 72 -4.881 -15.396 4.184 1.00 0.00 C ATOM 1170 O GLN A 72 -4.345 -15.500 5.286 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.429 -17.663 3.282 1.00 0.00 C ATOM 1172 CG GLN A 72 -6.918 -17.376 3.394 1.00 0.00 C ATOM 1173 CD GLN A 72 -7.739 -18.632 3.616 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -7.983 -19.035 4.752 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -8.169 -19.257 2.526 1.00 0.00 N ATOM 0 H GLN A 72 -2.544 -16.247 3.704 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.787 -15.955 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.264 -18.349 2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.099 -18.173 4.187 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.090 -16.684 4.218 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.258 -16.880 2.485 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.943 -18.887 1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.726 -20.107 2.612 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.758 -14.397 3.914 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.411 -14.213 2.608 1.00 0.00 C ATOM 1186 C PRO A 73 -5.382 -13.975 1.525 1.00 0.00 C ATOM 1187 O PRO A 73 -5.674 -14.069 0.333 1.00 0.00 O ATOM 1188 CB PRO A 73 -7.293 -12.975 2.803 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.447 -12.837 4.278 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.178 -13.371 4.880 1.00 0.00 C ATOM 0 HA PRO A 73 -6.982 -15.088 2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.829 -12.088 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.260 -13.099 2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.603 -11.795 4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.313 -13.396 4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.425 -12.591 4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.348 -13.795 5.870 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.176 -13.681 2.002 1.00 0.00 N ATOM 1199 CA ALA A 74 -2.998 -13.428 1.179 1.00 0.00 C ATOM 1200 C ALA A 74 -2.241 -12.232 1.724 1.00 0.00 C ATOM 1201 O ALA A 74 -2.520 -11.093 1.353 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.344 -13.195 -0.287 1.00 0.00 C ATOM 0 H ALA A 74 -3.986 -13.610 3.002 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.375 -14.321 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.430 -13.012 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.847 -14.075 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.003 -12.331 -0.372 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.290 -12.488 2.616 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.507 -11.401 3.188 1.00 0.00 C ATOM 1210 C ARG A 75 0.209 -10.662 2.066 1.00 0.00 C ATOM 1211 O ARG A 75 0.855 -11.281 1.225 1.00 0.00 O ATOM 1212 CB ARG A 75 0.498 -11.953 4.202 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.134 -12.859 5.251 1.00 0.00 C ATOM 1214 CD ARG A 75 0.889 -13.798 5.876 1.00 0.00 C ATOM 1215 NE ARG A 75 0.368 -14.456 7.072 1.00 0.00 N ATOM 1216 CZ ARG A 75 1.068 -15.321 7.801 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.312 -15.628 7.461 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.523 -15.878 8.874 1.00 0.00 N ATOM 0 H ARG A 75 -1.046 -13.419 2.953 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.165 -10.707 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.270 -12.509 3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.992 -11.120 4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.592 -12.249 6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.932 -13.443 4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.183 -14.552 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.787 -13.237 6.133 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.585 -14.240 7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.736 -15.200 6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.845 -16.292 8.023 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.433 -15.643 9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.060 -16.541 9.433 1.00 0.00 H new ATOM 1232 N TYR A 76 0.087 -9.338 2.049 1.00 0.00 N ATOM 1233 CA TYR A 76 0.725 -8.562 0.996 1.00 0.00 C ATOM 1234 C TYR A 76 1.980 -7.863 1.490 1.00 0.00 C ATOM 1235 O TYR A 76 2.024 -7.346 2.604 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.262 -7.560 0.398 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.442 -8.231 -0.268 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.288 -8.912 -1.469 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.705 -8.199 0.310 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.357 -9.541 -2.078 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.781 -8.825 -0.292 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.601 -9.495 -1.484 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.670 -10.120 -2.085 1.00 0.00 O ATOM 0 H TYR A 76 -0.435 -8.793 2.735 1.00 0.00 H new ATOM 0 HA TYR A 76 1.032 -9.256 0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.622 -6.897 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.256 -6.937 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.315 -8.951 -1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.849 -7.677 1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.219 -10.065 -3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.757 -8.789 0.169 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.473 -9.993 -1.538 1.00 0.00 H new ATOM 1253 N SER A 77 2.999 -7.861 0.642 1.00 0.00 N ATOM 1254 CA SER A 77 4.274 -7.242 0.976 1.00 0.00 C ATOM 1255 C SER A 77 4.898 -6.592 -0.252 1.00 0.00 C ATOM 1256 O SER A 77 4.943 -7.189 -1.327 1.00 0.00 O ATOM 1257 CB SER A 77 5.233 -8.280 1.558 1.00 0.00 C ATOM 1258 OG SER A 77 4.690 -8.884 2.719 1.00 0.00 O ATOM 0 H SER A 77 2.967 -8.283 -0.286 1.00 0.00 H new ATOM 0 HA SER A 77 4.090 -6.470 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.442 -9.045 0.811 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.183 -7.805 1.802 1.00 0.00 H new ATOM 0 HG SER A 77 4.982 -8.389 3.513 1.00 0.00 H new ATOM 1264 N LEU A 78 5.379 -5.370 -0.082 1.00 0.00 N ATOM 1265 CA LEU A 78 6.001 -4.637 -1.176 1.00 0.00 C ATOM 1266 C LEU A 78 7.246 -5.346 -1.692 1.00 0.00 C ATOM 1267 O LEU A 78 8.166 -5.638 -0.927 1.00 0.00 O ATOM 1268 CB LEU A 78 6.397 -3.233 -0.722 1.00 0.00 C ATOM 1269 CG LEU A 78 5.260 -2.231 -0.542 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.831 -0.828 -0.451 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.258 -2.319 -1.681 1.00 0.00 C ATOM 0 H LEU A 78 5.351 -4.864 0.803 1.00 0.00 H new ATOM 0 HA LEU A 78 5.266 -4.581 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.930 -3.318 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.100 -2.825 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 78 4.732 -2.471 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.019 -0.112 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.508 -0.765 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.377 -0.597 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.461 -1.592 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.760 -2.106 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.833 -3.322 -1.715 1.00 0.00 H new ATOM 1283 N THR A 79 7.272 -5.621 -2.991 1.00 0.00 N ATOM 1284 CA THR A 79 8.429 -6.256 -3.593 1.00 0.00 C ATOM 1285 C THR A 79 9.397 -5.167 -4.068 1.00 0.00 C ATOM 1286 O THR A 79 9.093 -3.987 -3.927 1.00 0.00 O ATOM 1287 CB THR A 79 7.999 -7.154 -4.769 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.601 -6.995 -5.018 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.297 -8.618 -4.476 1.00 0.00 C ATOM 0 H THR A 79 6.511 -5.415 -3.639 1.00 0.00 H new ATOM 0 HA THR A 79 8.926 -6.888 -2.857 1.00 0.00 H new ATOM 0 HB THR A 79 8.566 -6.853 -5.649 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.142 -7.848 -4.865 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.984 -9.230 -5.322 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.367 -8.746 -4.312 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.754 -8.928 -3.583 1.00 0.00 H new ATOM 1297 N PRO A 80 10.573 -5.521 -4.627 1.00 0.00 N ATOM 1298 CA PRO A 80 11.542 -4.521 -5.097 1.00 0.00 C ATOM 1299 C PRO A 80 10.898 -3.389 -5.887 1.00 0.00 C ATOM 1300 O PRO A 80 11.238 -2.221 -5.702 1.00 0.00 O ATOM 1301 CB PRO A 80 12.447 -5.342 -6.005 1.00 0.00 C ATOM 1302 CG PRO A 80 12.457 -6.696 -5.387 1.00 0.00 C ATOM 1303 CD PRO A 80 11.078 -6.897 -4.816 1.00 0.00 C ATOM 0 HA PRO A 80 12.049 -4.025 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.064 -5.373 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.451 -4.920 -6.054 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.689 -7.462 -6.127 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.216 -6.765 -4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.443 -7.467 -5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.111 -7.445 -3.874 1.00 0.00 H new ATOM 1311 N GLU A 81 9.969 -3.736 -6.763 1.00 0.00 N ATOM 1312 CA GLU A 81 9.283 -2.741 -7.578 1.00 0.00 C ATOM 1313 C GLU A 81 8.327 -1.898 -6.737 1.00 0.00 C ATOM 1314 O GLU A 81 8.390 -0.670 -6.768 1.00 0.00 O ATOM 1315 CB GLU A 81 8.523 -3.419 -8.717 1.00 0.00 C ATOM 1316 CG GLU A 81 9.411 -4.228 -9.649 1.00 0.00 C ATOM 1317 CD GLU A 81 10.464 -3.380 -10.334 1.00 0.00 C ATOM 1318 OE1 GLU A 81 10.178 -2.844 -11.424 1.00 0.00 O ATOM 1319 OE2 GLU A 81 11.576 -3.250 -9.779 1.00 0.00 O ATOM 0 H GLU A 81 9.671 -4.697 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 81 10.038 -2.077 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.762 -4.075 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.001 -2.658 -9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.900 -5.020 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.792 -4.712 -10.404 1.00 0.00 H new ATOM 1326 N GLY A 82 7.442 -2.557 -5.993 1.00 0.00 N ATOM 1327 CA GLY A 82 6.504 -1.818 -5.163 1.00 0.00 C ATOM 1328 C GLY A 82 7.211 -0.964 -4.142 1.00 0.00 C ATOM 1329 O GLY A 82 6.688 0.058 -3.710 1.00 0.00 O ATOM 0 H GLY A 82 7.357 -3.573 -5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.879 -1.187 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.840 -2.517 -4.655 1.00 0.00 H new ATOM 1333 N LEU A 83 8.405 -1.390 -3.751 1.00 0.00 N ATOM 1334 CA LEU A 83 9.189 -0.648 -2.784 1.00 0.00 C ATOM 1335 C LEU A 83 9.635 0.668 -3.396 1.00 0.00 C ATOM 1336 O LEU A 83 9.477 1.731 -2.799 1.00 0.00 O ATOM 1337 CB LEU A 83 10.410 -1.461 -2.348 1.00 0.00 C ATOM 1338 CG LEU A 83 10.625 -1.566 -0.835 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.740 -0.189 -0.202 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.494 -2.348 -0.190 1.00 0.00 C ATOM 0 H LEU A 83 8.847 -2.244 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 83 8.574 -0.451 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.319 -2.468 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.299 -1.016 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 83 11.561 -2.098 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.892 -0.294 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.586 0.342 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.825 0.373 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.663 -2.413 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.548 -1.841 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.459 -3.352 -0.613 1.00 0.00 H new ATOM 1352 N GLU A 84 10.189 0.582 -4.600 1.00 0.00 N ATOM 1353 CA GLU A 84 10.652 1.782 -5.288 1.00 0.00 C ATOM 1354 C GLU A 84 9.484 2.698 -5.588 1.00 0.00 C ATOM 1355 O GLU A 84 9.500 3.878 -5.243 1.00 0.00 O ATOM 1356 CB GLU A 84 11.362 1.420 -6.594 1.00 0.00 C ATOM 1357 CG GLU A 84 12.589 0.550 -6.399 1.00 0.00 C ATOM 1358 CD GLU A 84 13.257 0.178 -7.709 1.00 0.00 C ATOM 1359 OE1 GLU A 84 12.889 -0.867 -8.286 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.145 0.933 -8.158 1.00 0.00 O ATOM 0 H GLU A 84 10.327 -0.289 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 84 11.357 2.295 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.660 0.902 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.655 2.337 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.305 1.075 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.304 -0.359 -5.870 1.00 0.00 H new ATOM 1367 N LEU A 85 8.465 2.137 -6.223 1.00 0.00 N ATOM 1368 CA LEU A 85 7.288 2.908 -6.578 1.00 0.00 C ATOM 1369 C LEU A 85 6.656 3.537 -5.339 1.00 0.00 C ATOM 1370 O LEU A 85 6.245 4.695 -5.366 1.00 0.00 O ATOM 1371 CB LEU A 85 6.284 2.005 -7.298 1.00 0.00 C ATOM 1372 CG LEU A 85 5.159 2.734 -8.035 1.00 0.00 C ATOM 1373 CD1 LEU A 85 4.688 1.920 -9.229 1.00 0.00 C ATOM 1374 CD2 LEU A 85 3.996 3.005 -7.094 1.00 0.00 C ATOM 0 H LEU A 85 8.431 1.156 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 85 7.583 3.717 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.825 1.388 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.839 1.329 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 85 5.547 3.687 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.888 2.454 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.520 1.768 -9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.318 0.953 -8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.204 3.524 -7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.613 2.061 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.336 3.625 -6.264 1.00 0.00 H new ATOM 1386 N ALA A 86 6.603 2.779 -4.247 1.00 0.00 N ATOM 1387 CA ALA A 86 6.006 3.272 -3.006 1.00 0.00 C ATOM 1388 C ALA A 86 6.781 4.451 -2.434 1.00 0.00 C ATOM 1389 O ALA A 86 6.181 5.415 -1.959 1.00 0.00 O ATOM 1390 CB ALA A 86 5.907 2.158 -1.977 1.00 0.00 C ATOM 0 H ALA A 86 6.964 1.826 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 86 5.002 3.620 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.460 2.547 -1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.286 1.353 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.904 1.774 -1.759 1.00 0.00 H new ATOM 1396 N GLN A 87 8.110 4.376 -2.468 1.00 0.00 N ATOM 1397 CA GLN A 87 8.924 5.471 -1.952 1.00 0.00 C ATOM 1398 C GLN A 87 8.547 6.761 -2.662 1.00 0.00 C ATOM 1399 O GLN A 87 8.562 7.843 -2.075 1.00 0.00 O ATOM 1400 CB GLN A 87 10.414 5.182 -2.155 1.00 0.00 C ATOM 1401 CG GLN A 87 10.937 4.042 -1.298 1.00 0.00 C ATOM 1402 CD GLN A 87 12.407 3.759 -1.538 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.277 4.331 -0.881 1.00 0.00 O ATOM 1404 NE2 GLN A 87 12.692 2.872 -2.484 1.00 0.00 N ATOM 0 H GLN A 87 8.636 3.585 -2.840 1.00 0.00 H new ATOM 0 HA GLN A 87 8.737 5.573 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.590 4.946 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.984 6.084 -1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.784 4.284 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.359 3.142 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.939 2.422 -3.004 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.664 2.641 -2.690 1.00 0.00 H new ATOM 1413 N LYS A 88 8.205 6.621 -3.935 1.00 0.00 N ATOM 1414 CA LYS A 88 7.806 7.765 -4.740 1.00 0.00 C ATOM 1415 C LYS A 88 6.457 8.308 -4.281 1.00 0.00 C ATOM 1416 O LYS A 88 6.302 9.507 -4.051 1.00 0.00 O ATOM 1417 CB LYS A 88 7.731 7.350 -6.206 1.00 0.00 C ATOM 1418 CG LYS A 88 8.934 6.535 -6.659 1.00 0.00 C ATOM 1419 CD LYS A 88 8.800 6.069 -8.099 1.00 0.00 C ATOM 1420 CE LYS A 88 9.883 5.059 -8.458 1.00 0.00 C ATOM 1421 NZ LYS A 88 9.780 4.616 -9.876 1.00 0.00 N ATOM 0 H LYS A 88 8.196 5.730 -4.431 1.00 0.00 H new ATOM 0 HA LYS A 88 8.548 8.555 -4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.824 6.767 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.650 8.243 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.838 7.136 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.050 5.669 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.818 5.620 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.864 6.927 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.864 5.502 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.805 4.193 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.534 3.930 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.854 4.170 -10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.880 5.438 -10.505 1.00 0.00 H new ATOM 1435 N LEU A 89 5.482 7.414 -4.156 1.00 0.00 N ATOM 1436 CA LEU A 89 4.154 7.796 -3.713 1.00 0.00 C ATOM 1437 C LEU A 89 4.211 8.410 -2.323 1.00 0.00 C ATOM 1438 O LEU A 89 3.334 9.179 -1.928 1.00 0.00 O ATOM 1439 CB LEU A 89 3.255 6.565 -3.707 1.00 0.00 C ATOM 1440 CG LEU A 89 2.677 6.176 -5.067 1.00 0.00 C ATOM 1441 CD1 LEU A 89 3.749 6.170 -6.147 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.000 4.817 -4.984 1.00 0.00 C ATOM 0 H LEU A 89 5.591 6.420 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 89 3.749 8.541 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.824 5.721 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.430 6.740 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 89 1.934 6.925 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.303 5.889 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.187 7.165 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.526 5.452 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.593 4.553 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.728 4.066 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.193 4.857 -4.253 1.00 0.00 H new ATOM 1454 N ALA A 90 5.255 8.056 -1.589 1.00 0.00 N ATOM 1455 CA ALA A 90 5.442 8.554 -0.232 1.00 0.00 C ATOM 1456 C ALA A 90 5.898 10.009 -0.230 1.00 0.00 C ATOM 1457 O ALA A 90 5.594 10.764 0.692 1.00 0.00 O ATOM 1458 CB ALA A 90 6.441 7.681 0.508 1.00 0.00 C ATOM 0 H ALA A 90 5.988 7.424 -1.910 1.00 0.00 H new ATOM 0 HA ALA A 90 4.481 8.510 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.575 8.060 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.069 6.657 0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.397 7.698 -0.015 1.00 0.00 H new ATOM 1464 N GLU A 91 6.633 10.390 -1.268 1.00 0.00 N ATOM 1465 CA GLU A 91 7.132 11.756 -1.389 1.00 0.00 C ATOM 1466 C GLU A 91 5.981 12.748 -1.309 1.00 0.00 C ATOM 1467 O GLU A 91 6.072 13.781 -0.646 1.00 0.00 O ATOM 1468 CB GLU A 91 7.871 11.944 -2.711 1.00 0.00 C ATOM 1469 CG GLU A 91 8.809 10.802 -3.036 1.00 0.00 C ATOM 1470 CD GLU A 91 9.490 10.968 -4.381 1.00 0.00 C ATOM 1471 OE1 GLU A 91 8.865 10.631 -5.409 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.647 11.436 -4.407 1.00 0.00 O ATOM 0 H GLU A 91 6.897 9.774 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 91 7.824 11.937 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.143 12.048 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.439 12.873 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.567 10.727 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.251 9.866 -3.029 1.00 0.00 H new ATOM 1479 N SER A 92 4.900 12.412 -1.998 1.00 0.00 N ATOM 1480 CA SER A 92 3.716 13.257 -2.028 1.00 0.00 C ATOM 1481 C SER A 92 3.117 13.443 -0.634 1.00 0.00 C ATOM 1482 O SER A 92 2.549 14.493 -0.332 1.00 0.00 O ATOM 1483 CB SER A 92 2.683 12.643 -2.969 1.00 0.00 C ATOM 1484 OG SER A 92 1.528 13.458 -3.066 1.00 0.00 O ATOM 0 H SER A 92 4.819 11.556 -2.546 1.00 0.00 H new ATOM 0 HA SER A 92 4.008 14.243 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.122 12.511 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.403 11.653 -2.609 1.00 0.00 H new ATOM 0 HG SER A 92 0.884 13.041 -3.676 1.00 0.00 H new ATOM 1490 N GLU A 93 3.245 12.425 0.214 1.00 0.00 N ATOM 1491 CA GLU A 93 2.711 12.508 1.564 1.00 0.00 C ATOM 1492 C GLU A 93 3.761 13.056 2.519 1.00 0.00 C ATOM 1493 O GLU A 93 3.527 13.159 3.723 1.00 0.00 O ATOM 1494 CB GLU A 93 2.284 11.123 2.036 1.00 0.00 C ATOM 1495 CG GLU A 93 1.433 10.367 1.035 1.00 0.00 C ATOM 1496 CD GLU A 93 0.045 10.959 0.880 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.129 11.844 0.015 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.866 10.540 1.623 1.00 0.00 O ATOM 0 H GLU A 93 3.709 11.544 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 93 1.851 13.178 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.175 10.535 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.728 11.223 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.933 10.366 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.347 9.327 1.350 1.00 0.00 H new ATOM 1505 N GLY A 94 4.918 13.406 1.973 1.00 0.00 N ATOM 1506 CA GLY A 94 5.985 13.903 2.816 1.00 0.00 C ATOM 1507 C GLY A 94 6.650 12.762 3.551 1.00 0.00 C ATOM 1508 O GLY A 94 7.539 12.967 4.378 1.00 0.00 O ATOM 0 H GLY A 94 5.134 13.356 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.721 14.431 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.587 14.622 3.532 1.00 0.00 H new ATOM 1512 N LEU A 95 6.197 11.550 3.235 1.00 0.00 N ATOM 1513 CA LEU A 95 6.720 10.334 3.842 1.00 0.00 C ATOM 1514 C LEU A 95 6.500 10.342 5.350 1.00 0.00 C ATOM 1515 O LEU A 95 7.233 9.696 6.100 1.00 0.00 O ATOM 1516 CB LEU A 95 8.205 10.174 3.521 1.00 0.00 C ATOM 1517 CG LEU A 95 8.614 8.795 2.990 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.122 8.618 3.072 1.00 0.00 C ATOM 1519 CD2 LEU A 95 7.898 7.685 3.749 1.00 0.00 C ATOM 0 H LEU A 95 5.458 11.387 2.551 1.00 0.00 H new ATOM 0 HA LEU A 95 6.179 9.485 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.484 10.927 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.780 10.383 4.423 1.00 0.00 H new ATOM 0 HG LEU A 95 8.317 8.732 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.394 7.634 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.612 9.387 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.443 8.707 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.205 6.717 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.155 7.743 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.821 7.800 3.631 1.00 0.00 H new ATOM 1531 N SER A 96 5.476 11.067 5.783 1.00 0.00 N ATOM 1532 CA SER A 96 5.150 11.159 7.201 1.00 0.00 C ATOM 1533 C SER A 96 4.056 10.159 7.566 1.00 0.00 C ATOM 1534 O SER A 96 3.303 10.367 8.517 1.00 0.00 O ATOM 1535 CB SER A 96 4.693 12.579 7.541 1.00 0.00 C ATOM 1536 OG SER A 96 5.726 13.518 7.304 1.00 0.00 O ATOM 0 H SER A 96 4.857 11.600 5.172 1.00 0.00 H new ATOM 0 HA SER A 96 6.044 10.922 7.778 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.819 12.836 6.942 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.388 12.626 8.586 1.00 0.00 H new ATOM 0 HG SER A 96 5.408 14.418 7.527 1.00 0.00 H new ATOM 1542 N LEU A 97 3.986 9.067 6.811 1.00 0.00 N ATOM 1543 CA LEU A 97 2.975 8.043 7.056 1.00 0.00 C ATOM 1544 C LEU A 97 3.343 7.187 8.264 1.00 0.00 C ATOM 1545 O LEU A 97 2.730 7.299 9.325 1.00 0.00 O ATOM 1546 CB LEU A 97 2.805 7.149 5.825 1.00 0.00 C ATOM 1547 CG LEU A 97 2.465 7.880 4.524 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.708 8.523 3.925 1.00 0.00 C ATOM 1549 CD2 LEU A 97 1.827 6.923 3.531 1.00 0.00 C ATOM 0 H LEU A 97 4.612 8.869 6.030 1.00 0.00 H new ATOM 0 HA LEU A 97 2.033 8.551 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.727 6.587 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.018 6.423 6.030 1.00 0.00 H new ATOM 0 HG LEU A 97 1.750 8.671 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.443 9.037 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.124 9.240 4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.449 7.753 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.591 7.457 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.520 6.111 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.912 6.513 3.958 1.00 0.00 H new