USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 6 THR OG1 : rot -85:sc= 1.1 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= -0.645 (180deg=-0.843) USER MOD Single : A 11 THR OG1 : rot 75:sc= 0.316 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 1.19 (180deg=0.909) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.841 K(o=-0.84,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0.981 (180deg=-0.00822!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.836 K(o=-0.84,f=0) USER MOD Single : A 37 GLN : amide:sc=-0.00958 K(o=-0.0096,f=-0.98) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.806 USER MOD Single : A 47 GLN : amide:sc= -0.76 X(o=-0.76,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -5.250 8.359 -2.239 1.00 0.00 N ATOM 35 CA LEU A 3 -5.015 8.943 -0.928 1.00 0.00 C ATOM 36 C LEU A 3 -3.632 9.578 -0.849 1.00 0.00 C ATOM 37 O LEU A 3 -2.873 9.558 -1.820 1.00 0.00 O ATOM 38 CB LEU A 3 -5.168 7.874 0.150 1.00 0.00 C ATOM 39 CG LEU A 3 -6.565 7.257 0.248 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.616 6.214 1.346 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.608 8.331 0.503 1.00 0.00 C ATOM 0 HA LEU A 3 -5.754 9.727 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.448 7.079 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.911 8.311 1.115 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.786 6.772 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.618 5.789 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.897 5.424 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.369 6.678 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.594 7.872 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.382 8.843 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.597 9.050 -0.316 1.00 0.00 H new ATOM 53 N ARG A 4 -3.310 10.159 0.299 1.00 0.00 N ATOM 54 CA ARG A 4 -1.998 10.759 0.490 1.00 0.00 C ATOM 55 C ARG A 4 -0.964 9.709 0.859 1.00 0.00 C ATOM 56 O ARG A 4 -1.045 9.065 1.909 1.00 0.00 O ATOM 57 CB ARG A 4 -2.040 11.849 1.556 1.00 0.00 C ATOM 58 CG ARG A 4 -2.659 13.147 1.068 1.00 0.00 C ATOM 59 CD ARG A 4 -2.876 14.116 2.212 1.00 0.00 C ATOM 60 NE ARG A 4 -3.824 13.582 3.182 1.00 0.00 N ATOM 61 CZ ARG A 4 -4.190 14.205 4.295 1.00 0.00 C ATOM 62 NH1 ARG A 4 -3.733 15.421 4.565 1.00 0.00 N ATOM 63 NH2 ARG A 4 -5.030 13.613 5.130 1.00 0.00 N ATOM 0 H ARG A 4 -3.933 10.227 1.104 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.708 11.213 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.605 11.486 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.026 12.047 1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.011 13.603 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.611 12.938 0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.925 14.321 2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.245 15.065 1.823 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.234 12.667 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.096 15.882 3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.018 15.894 5.422 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.392 12.684 4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.315 14.086 5.987 1.00 0.00 H new ATOM 77 N TRP A 5 0.014 9.550 -0.013 1.00 0.00 N ATOM 78 CA TRP A 5 1.070 8.576 0.188 1.00 0.00 C ATOM 79 C TRP A 5 2.309 9.244 0.760 1.00 0.00 C ATOM 80 O TRP A 5 2.798 10.234 0.212 1.00 0.00 O ATOM 81 CB TRP A 5 1.418 7.883 -1.131 1.00 0.00 C ATOM 82 CG TRP A 5 0.356 6.948 -1.623 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.881 7.278 -2.100 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.443 5.524 -1.687 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.571 6.143 -2.445 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.777 5.054 -2.205 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.438 4.599 -1.354 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.027 3.698 -2.398 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.186 3.255 -1.546 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.038 2.817 -2.065 1.00 0.00 C ATOM 0 H TRP A 5 0.099 10.089 -0.875 1.00 0.00 H new ATOM 0 HA TRP A 5 0.712 7.829 0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.601 8.642 -1.892 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.347 7.328 -1.004 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.260 8.285 -2.192 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.520 6.115 -2.819 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.385 4.930 -0.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.970 3.355 -2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.945 2.530 -1.292 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.204 1.759 -2.205 1.00 0.00 H new ATOM 101 N THR A 6 2.815 8.702 1.858 1.00 0.00 N ATOM 102 CA THR A 6 4.041 9.205 2.453 1.00 0.00 C ATOM 103 C THR A 6 5.225 8.910 1.536 1.00 0.00 C ATOM 104 O THR A 6 5.154 8.010 0.695 1.00 0.00 O ATOM 105 CB THR A 6 4.286 8.586 3.846 1.00 0.00 C ATOM 106 OG1 THR A 6 4.151 7.158 3.784 1.00 0.00 O ATOM 107 CG2 THR A 6 3.309 9.142 4.869 1.00 0.00 C ATOM 0 H THR A 6 2.395 7.915 2.353 1.00 0.00 H new ATOM 0 HA THR A 6 3.937 10.283 2.577 1.00 0.00 H new ATOM 0 HB THR A 6 5.299 8.844 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.208 6.914 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.503 8.689 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.433 10.223 4.940 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.289 8.913 4.560 1.00 0.00 H new ATOM 115 N SER A 7 6.303 9.669 1.686 1.00 0.00 N ATOM 116 CA SER A 7 7.483 9.497 0.848 1.00 0.00 C ATOM 117 C SER A 7 8.019 8.067 0.943 1.00 0.00 C ATOM 118 O SER A 7 8.455 7.485 -0.056 1.00 0.00 O ATOM 119 CB SER A 7 8.555 10.501 1.265 1.00 0.00 C ATOM 120 OG SER A 7 7.982 11.780 1.493 1.00 0.00 O ATOM 0 H SER A 7 6.385 10.411 2.381 1.00 0.00 H new ATOM 0 HA SER A 7 7.206 9.678 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.054 10.154 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.317 10.571 0.488 1.00 0.00 H new ATOM 0 HG SER A 7 8.684 12.410 1.761 1.00 0.00 H new ATOM 126 N GLU A 8 7.954 7.501 2.143 1.00 0.00 N ATOM 127 CA GLU A 8 8.388 6.130 2.370 1.00 0.00 C ATOM 128 C GLU A 8 7.436 5.144 1.697 1.00 0.00 C ATOM 129 O GLU A 8 7.870 4.167 1.091 1.00 0.00 O ATOM 130 CB GLU A 8 8.467 5.837 3.869 1.00 0.00 C ATOM 131 CG GLU A 8 9.451 6.723 4.618 1.00 0.00 C ATOM 132 CD GLU A 8 9.483 6.429 6.103 1.00 0.00 C ATOM 133 OE1 GLU A 8 10.273 5.558 6.529 1.00 0.00 O ATOM 134 OE2 GLU A 8 8.725 7.072 6.861 1.00 0.00 O ATOM 0 H GLU A 8 7.603 7.974 2.976 1.00 0.00 H new ATOM 0 HA GLU A 8 9.379 6.011 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.476 5.960 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.751 4.794 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.449 6.584 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.184 7.768 4.464 1.00 0.00 H new ATOM 141 N ALA A 9 6.137 5.416 1.794 1.00 0.00 N ATOM 142 CA ALA A 9 5.126 4.549 1.197 1.00 0.00 C ATOM 143 C ALA A 9 5.285 4.496 -0.314 1.00 0.00 C ATOM 144 O ALA A 9 5.159 3.437 -0.923 1.00 0.00 O ATOM 145 CB ALA A 9 3.730 5.021 1.567 1.00 0.00 C ATOM 0 H ALA A 9 5.760 6.230 2.280 1.00 0.00 H new ATOM 0 HA ALA A 9 5.267 3.543 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.991 4.362 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.615 5.003 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.582 6.038 1.204 1.00 0.00 H new ATOM 151 N LYS A 10 5.577 5.646 -0.910 1.00 0.00 N ATOM 152 CA LYS A 10 5.805 5.728 -2.345 1.00 0.00 C ATOM 153 C LYS A 10 6.968 4.829 -2.762 1.00 0.00 C ATOM 154 O LYS A 10 6.869 4.080 -3.734 1.00 0.00 O ATOM 155 CB LYS A 10 6.079 7.177 -2.756 1.00 0.00 C ATOM 156 CG LYS A 10 4.890 8.104 -2.550 1.00 0.00 C ATOM 157 CD LYS A 10 5.230 9.550 -2.886 1.00 0.00 C ATOM 158 CE LYS A 10 4.034 10.468 -2.674 1.00 0.00 C ATOM 159 NZ LYS A 10 2.893 10.137 -3.576 1.00 0.00 N ATOM 0 H LYS A 10 5.661 6.536 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 10 4.906 5.382 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.926 7.554 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.369 7.199 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.059 7.773 -3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.556 8.041 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.061 9.883 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.561 9.616 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.705 10.398 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.338 11.501 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.047 10.659 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.133 10.406 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.703 9.115 -3.535 1.00 0.00 H new ATOM 173 N THR A 11 8.063 4.895 -2.010 1.00 0.00 N ATOM 174 CA THR A 11 9.229 4.067 -2.290 1.00 0.00 C ATOM 175 C THR A 11 8.905 2.582 -2.102 1.00 0.00 C ATOM 176 O THR A 11 9.255 1.752 -2.944 1.00 0.00 O ATOM 177 CB THR A 11 10.412 4.456 -1.384 1.00 0.00 C ATOM 178 OG1 THR A 11 10.646 5.867 -1.466 1.00 0.00 O ATOM 179 CG2 THR A 11 11.674 3.712 -1.789 1.00 0.00 C ATOM 0 H THR A 11 8.166 5.512 -1.204 1.00 0.00 H new ATOM 0 HA THR A 11 9.509 4.238 -3.329 1.00 0.00 H new ATOM 0 HB THR A 11 10.159 4.183 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.951 6.343 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.495 4.004 -1.134 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.507 2.638 -1.704 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.927 3.959 -2.820 1.00 0.00 H new ATOM 187 N LYS A 12 8.219 2.257 -1.009 1.00 0.00 N ATOM 188 CA LYS A 12 7.847 0.875 -0.715 1.00 0.00 C ATOM 189 C LYS A 12 6.909 0.317 -1.783 1.00 0.00 C ATOM 190 O LYS A 12 6.983 -0.862 -2.130 1.00 0.00 O ATOM 191 CB LYS A 12 7.188 0.779 0.663 1.00 0.00 C ATOM 192 CG LYS A 12 8.138 1.083 1.812 1.00 0.00 C ATOM 193 CD LYS A 12 9.179 -0.012 1.996 1.00 0.00 C ATOM 194 CE LYS A 12 8.578 -1.254 2.632 1.00 0.00 C ATOM 195 NZ LYS A 12 9.608 -2.299 2.888 1.00 0.00 N ATOM 0 H LYS A 12 7.909 2.933 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 12 8.759 0.278 -0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.347 1.472 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.781 -0.224 0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.640 2.033 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.567 1.199 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.611 -0.270 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.992 0.359 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.094 -0.984 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.805 -1.658 1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.218 -3.022 3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.883 -2.743 1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.443 -1.863 3.328 1.00 0.00 H new ATOM 209 N LEU A 13 6.035 1.169 -2.305 1.00 0.00 N ATOM 210 CA LEU A 13 5.101 0.771 -3.353 1.00 0.00 C ATOM 211 C LEU A 13 5.849 0.378 -4.621 1.00 0.00 C ATOM 212 O LEU A 13 5.475 -0.576 -5.303 1.00 0.00 O ATOM 213 CB LEU A 13 4.124 1.912 -3.656 1.00 0.00 C ATOM 214 CG LEU A 13 3.034 1.588 -4.683 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.126 0.477 -4.173 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.225 2.834 -5.010 1.00 0.00 C ATOM 0 H LEU A 13 5.953 2.145 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 13 4.539 -0.093 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.644 2.214 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.693 2.770 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 13 3.516 1.240 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.359 0.263 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.717 -0.421 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.651 0.793 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.455 2.587 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.755 3.212 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.884 3.598 -5.422 1.00 0.00 H new ATOM 228 N LYS A 14 6.919 1.108 -4.921 1.00 0.00 N ATOM 229 CA LYS A 14 7.736 0.839 -6.103 1.00 0.00 C ATOM 230 C LYS A 14 8.421 -0.522 -6.000 1.00 0.00 C ATOM 231 O LYS A 14 8.773 -1.128 -7.012 1.00 0.00 O ATOM 232 CB LYS A 14 8.784 1.937 -6.282 1.00 0.00 C ATOM 233 CG LYS A 14 8.191 3.311 -6.541 1.00 0.00 C ATOM 234 CD LYS A 14 9.246 4.400 -6.443 1.00 0.00 C ATOM 235 CE LYS A 14 8.659 5.767 -6.743 1.00 0.00 C ATOM 236 NZ LYS A 14 9.626 6.858 -6.459 1.00 0.00 N ATOM 0 H LYS A 14 7.243 1.895 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 14 7.078 0.826 -6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.406 1.982 -5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.438 1.671 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.736 3.331 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.396 3.507 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.680 4.400 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.056 4.189 -7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.358 5.811 -7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.759 5.915 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.188 7.776 -6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.894 6.832 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.474 6.732 -7.047 1.00 0.00 H new ATOM 250 N ASN A 15 8.599 -1.000 -4.773 1.00 0.00 N ATOM 251 CA ASN A 15 9.229 -2.297 -4.531 1.00 0.00 C ATOM 252 C ASN A 15 8.306 -3.433 -4.949 1.00 0.00 C ATOM 253 O ASN A 15 8.755 -4.537 -5.262 1.00 0.00 O ATOM 254 CB ASN A 15 9.592 -2.445 -3.050 1.00 0.00 C ATOM 255 CG ASN A 15 10.696 -1.503 -2.621 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.599 -1.186 -3.394 1.00 0.00 O ATOM 257 ND2 ASN A 15 10.625 -1.044 -1.385 1.00 0.00 N ATOM 0 H ASN A 15 8.315 -0.508 -3.926 1.00 0.00 H new ATOM 0 HA ASN A 15 10.139 -2.347 -5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.706 -2.260 -2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.901 -3.472 -2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.336 -0.401 -1.038 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.859 -1.333 -0.777 1.00 0.00 H new ATOM 264 N ILE A 16 7.012 -3.148 -4.963 1.00 0.00 N ATOM 265 CA ILE A 16 6.013 -4.133 -5.343 1.00 0.00 C ATOM 266 C ILE A 16 6.009 -4.318 -6.859 1.00 0.00 C ATOM 267 O ILE A 16 5.997 -3.335 -7.607 1.00 0.00 O ATOM 268 CB ILE A 16 4.604 -3.711 -4.866 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.623 -3.437 -3.359 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.572 -4.784 -5.202 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.308 -2.917 -2.810 1.00 0.00 C ATOM 0 H ILE A 16 6.629 -2.236 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 16 6.271 -5.077 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 16 4.320 -2.797 -5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.885 -4.357 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.408 -2.712 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.589 -4.464 -4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.545 -4.938 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.844 -5.717 -4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.403 -2.748 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.053 -1.979 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.522 -3.650 -2.994 1.00 0.00 H new ATOM 283 N PRO A 17 6.062 -5.579 -7.328 1.00 0.00 N ATOM 284 CA PRO A 17 6.017 -5.899 -8.759 1.00 0.00 C ATOM 285 C PRO A 17 4.845 -5.226 -9.464 1.00 0.00 C ATOM 286 O PRO A 17 3.722 -5.261 -8.968 1.00 0.00 O ATOM 287 CB PRO A 17 5.848 -7.418 -8.779 1.00 0.00 C ATOM 288 CG PRO A 17 6.451 -7.880 -7.498 1.00 0.00 C ATOM 289 CD PRO A 17 6.179 -6.792 -6.495 1.00 0.00 C ATOM 0 HA PRO A 17 6.906 -5.549 -9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.797 -7.699 -8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.352 -7.862 -9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.011 -8.824 -7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.522 -8.049 -7.610 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.265 -6.983 -5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.987 -6.704 -5.769 1.00 0.00 H new ATOM 297 N PHE A 18 5.118 -4.626 -10.619 1.00 0.00 N ATOM 298 CA PHE A 18 4.115 -3.876 -11.380 1.00 0.00 C ATOM 299 C PHE A 18 2.836 -4.684 -11.583 1.00 0.00 C ATOM 300 O PHE A 18 1.734 -4.140 -11.504 1.00 0.00 O ATOM 301 CB PHE A 18 4.692 -3.454 -12.733 1.00 0.00 C ATOM 302 CG PHE A 18 3.696 -2.803 -13.653 1.00 0.00 C ATOM 303 CD1 PHE A 18 3.363 -1.469 -13.502 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.097 -3.531 -14.669 1.00 0.00 C ATOM 305 CE1 PHE A 18 2.451 -0.867 -14.350 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.184 -2.938 -15.518 1.00 0.00 C ATOM 307 CZ PHE A 18 1.858 -1.604 -15.359 1.00 0.00 C ATOM 0 H PHE A 18 6.039 -4.644 -11.056 1.00 0.00 H new ATOM 0 HA PHE A 18 3.856 -2.989 -10.803 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.518 -2.763 -12.563 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.107 -4.332 -13.228 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.820 -0.891 -12.713 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.347 -4.574 -14.798 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.202 0.176 -14.224 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.725 -3.516 -16.306 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.142 -1.139 -16.021 1.00 0.00 H new ATOM 317 N PHE A 19 2.995 -5.983 -11.818 1.00 0.00 N ATOM 318 CA PHE A 19 1.863 -6.879 -12.045 1.00 0.00 C ATOM 319 C PHE A 19 0.882 -6.855 -10.866 1.00 0.00 C ATOM 320 O PHE A 19 -0.315 -7.087 -11.037 1.00 0.00 O ATOM 321 CB PHE A 19 2.379 -8.306 -12.276 1.00 0.00 C ATOM 322 CG PHE A 19 1.300 -9.347 -12.422 1.00 0.00 C ATOM 323 CD1 PHE A 19 0.605 -9.483 -13.613 1.00 0.00 C ATOM 324 CD2 PHE A 19 0.986 -10.191 -11.368 1.00 0.00 C ATOM 325 CE1 PHE A 19 -0.384 -10.439 -13.749 1.00 0.00 C ATOM 326 CE2 PHE A 19 -0.002 -11.148 -11.499 1.00 0.00 C ATOM 327 CZ PHE A 19 -0.687 -11.273 -12.691 1.00 0.00 C ATOM 0 H PHE A 19 3.905 -6.443 -11.857 1.00 0.00 H new ATOM 0 HA PHE A 19 1.325 -6.535 -12.928 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.997 -8.314 -13.174 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.024 -8.584 -11.443 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.839 -8.835 -14.445 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.520 -10.099 -10.434 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.919 -10.534 -14.682 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.238 -11.798 -10.669 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.458 -12.022 -12.796 1.00 0.00 H new ATOM 337 N ALA A 20 1.389 -6.561 -9.678 1.00 0.00 N ATOM 338 CA ALA A 20 0.565 -6.573 -8.480 1.00 0.00 C ATOM 339 C ALA A 20 0.469 -5.190 -7.844 1.00 0.00 C ATOM 340 O ALA A 20 -0.409 -4.951 -7.027 1.00 0.00 O ATOM 341 CB ALA A 20 1.117 -7.577 -7.479 1.00 0.00 C ATOM 0 H ALA A 20 2.365 -6.312 -9.519 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.442 -6.870 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.494 -7.579 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.117 -8.572 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.136 -7.300 -7.210 1.00 0.00 H new ATOM 347 N ARG A 21 1.359 -4.277 -8.237 1.00 0.00 N ATOM 348 CA ARG A 21 1.438 -2.958 -7.607 1.00 0.00 C ATOM 349 C ARG A 21 0.117 -2.194 -7.701 1.00 0.00 C ATOM 350 O ARG A 21 -0.347 -1.634 -6.709 1.00 0.00 O ATOM 351 CB ARG A 21 2.573 -2.123 -8.210 1.00 0.00 C ATOM 352 CG ARG A 21 2.613 -0.701 -7.670 1.00 0.00 C ATOM 353 CD ARG A 21 3.903 0.024 -8.026 1.00 0.00 C ATOM 354 NE ARG A 21 4.160 0.051 -9.463 1.00 0.00 N ATOM 355 CZ ARG A 21 3.680 0.976 -10.296 1.00 0.00 C ATOM 356 NH1 ARG A 21 2.846 1.911 -9.857 1.00 0.00 N ATOM 357 NH2 ARG A 21 4.035 0.960 -11.573 1.00 0.00 N ATOM 0 H ARG A 21 2.034 -4.426 -8.987 1.00 0.00 H new ATOM 0 HA ARG A 21 1.650 -3.129 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.525 -2.611 -8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.458 -2.092 -9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.765 -0.142 -8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.501 -0.725 -6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.855 1.046 -7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.738 -0.462 -7.521 1.00 0.00 H new ATOM 0 HE ARG A 21 4.745 -0.686 -9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.567 1.926 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.484 2.614 -10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.673 0.242 -11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.670 1.666 -12.213 1.00 0.00 H new ATOM 371 N SER A 22 -0.486 -2.175 -8.883 1.00 0.00 N ATOM 372 CA SER A 22 -1.754 -1.481 -9.085 1.00 0.00 C ATOM 373 C SER A 22 -2.842 -2.067 -8.180 1.00 0.00 C ATOM 374 O SER A 22 -3.595 -1.339 -7.530 1.00 0.00 O ATOM 375 CB SER A 22 -2.162 -1.590 -10.554 1.00 0.00 C ATOM 376 OG SER A 22 -1.072 -1.261 -11.402 1.00 0.00 O ATOM 0 H SER A 22 -0.118 -2.632 -9.717 1.00 0.00 H new ATOM 0 HA SER A 22 -1.631 -0.430 -8.823 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.503 -2.603 -10.768 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.000 -0.922 -10.755 1.00 0.00 H new ATOM 0 HG SER A 22 -1.351 -1.338 -12.338 1.00 0.00 H new ATOM 382 N GLN A 23 -2.891 -3.392 -8.128 1.00 0.00 N ATOM 383 CA GLN A 23 -3.860 -4.098 -7.302 1.00 0.00 C ATOM 384 C GLN A 23 -3.545 -3.912 -5.814 1.00 0.00 C ATOM 385 O GLN A 23 -4.449 -3.781 -4.984 1.00 0.00 O ATOM 386 CB GLN A 23 -3.857 -5.580 -7.685 1.00 0.00 C ATOM 387 CG GLN A 23 -4.710 -6.458 -6.789 1.00 0.00 C ATOM 388 CD GLN A 23 -4.809 -7.889 -7.285 1.00 0.00 C ATOM 389 OE1 GLN A 23 -5.804 -8.571 -7.044 1.00 0.00 O ATOM 390 NE2 GLN A 23 -3.781 -8.354 -7.981 1.00 0.00 N ATOM 0 H GLN A 23 -2.265 -4.003 -8.653 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.854 -3.686 -7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.209 -5.679 -8.712 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.831 -5.947 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.292 -6.456 -5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.711 -6.033 -6.719 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.974 -7.756 -8.160 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.797 -9.309 -8.338 1.00 0.00 H new ATOM 399 N ALA A 24 -2.258 -3.888 -5.489 1.00 0.00 N ATOM 400 CA ALA A 24 -1.814 -3.687 -4.119 1.00 0.00 C ATOM 401 C ALA A 24 -2.142 -2.279 -3.654 1.00 0.00 C ATOM 402 O ALA A 24 -2.536 -2.082 -2.511 1.00 0.00 O ATOM 403 CB ALA A 24 -0.322 -3.959 -3.989 1.00 0.00 C ATOM 0 H ALA A 24 -1.501 -4.006 -6.162 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.345 -4.394 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.012 -3.802 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.113 -4.989 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.230 -3.281 -4.640 1.00 0.00 H new ATOM 409 N LYS A 25 -1.990 -1.311 -4.548 1.00 0.00 N ATOM 410 CA LYS A 25 -2.327 0.074 -4.253 1.00 0.00 C ATOM 411 C LYS A 25 -3.783 0.181 -3.810 1.00 0.00 C ATOM 412 O LYS A 25 -4.088 0.775 -2.777 1.00 0.00 O ATOM 413 CB LYS A 25 -2.084 0.942 -5.488 1.00 0.00 C ATOM 414 CG LYS A 25 -2.385 2.413 -5.268 1.00 0.00 C ATOM 415 CD LYS A 25 -2.023 3.245 -6.484 1.00 0.00 C ATOM 416 CE LYS A 25 -2.230 4.729 -6.227 1.00 0.00 C ATOM 417 NZ LYS A 25 -3.667 5.090 -6.092 1.00 0.00 N ATOM 0 H LYS A 25 -1.632 -1.462 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.691 0.428 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.044 0.835 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.700 0.573 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.444 2.539 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.830 2.773 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.983 3.063 -6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.631 2.934 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.700 5.014 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.791 5.301 -7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.748 6.058 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.127 5.037 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.131 4.428 -5.438 1.00 0.00 H new ATOM 431 N ALA A 26 -4.668 -0.431 -4.589 1.00 0.00 N ATOM 432 CA ALA A 26 -6.089 -0.459 -4.270 1.00 0.00 C ATOM 433 C ALA A 26 -6.330 -1.109 -2.909 1.00 0.00 C ATOM 434 O ALA A 26 -7.262 -0.743 -2.189 1.00 0.00 O ATOM 435 CB ALA A 26 -6.850 -1.198 -5.358 1.00 0.00 C ATOM 0 H ALA A 26 -4.423 -0.917 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.453 0.567 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.912 -1.215 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.706 -0.690 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.479 -2.220 -5.432 1.00 0.00 H new ATOM 441 N ARG A 27 -5.488 -2.077 -2.563 1.00 0.00 N ATOM 442 CA ARG A 27 -5.573 -2.746 -1.271 1.00 0.00 C ATOM 443 C ARG A 27 -5.080 -1.821 -0.157 1.00 0.00 C ATOM 444 O ARG A 27 -5.746 -1.666 0.861 1.00 0.00 O ATOM 445 CB ARG A 27 -4.749 -4.038 -1.289 1.00 0.00 C ATOM 446 CG ARG A 27 -4.835 -4.860 -0.014 1.00 0.00 C ATOM 447 CD ARG A 27 -6.251 -5.342 0.257 1.00 0.00 C ATOM 448 NE ARG A 27 -6.284 -6.331 1.333 1.00 0.00 N ATOM 449 CZ ARG A 27 -7.033 -6.231 2.430 1.00 0.00 C ATOM 450 NH1 ARG A 27 -7.803 -5.170 2.627 1.00 0.00 N ATOM 451 NH2 ARG A 27 -6.996 -7.188 3.339 1.00 0.00 N ATOM 0 H ARG A 27 -4.736 -2.417 -3.163 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.616 -2.997 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.080 -4.653 -2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.705 -3.785 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.168 -5.719 -0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.488 -4.261 0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.881 -4.493 0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.668 -5.777 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.692 -7.156 1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.826 -4.421 1.935 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.373 -5.103 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.395 -8.000 3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.568 -7.115 4.180 1.00 0.00 H new ATOM 465 N ILE A 28 -3.924 -1.205 -0.375 1.00 0.00 N ATOM 466 CA ILE A 28 -3.315 -0.308 0.609 1.00 0.00 C ATOM 467 C ILE A 28 -4.235 0.868 0.925 1.00 0.00 C ATOM 468 O ILE A 28 -4.470 1.190 2.090 1.00 0.00 O ATOM 469 CB ILE A 28 -1.958 0.234 0.107 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.994 -0.921 -0.168 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.356 1.199 1.123 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.280 -0.501 -0.864 1.00 0.00 C ATOM 0 H ILE A 28 -3.382 -1.310 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.154 -0.892 1.515 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.126 0.777 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.739 -1.402 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.501 -1.668 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.401 1.570 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.036 2.037 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.201 0.681 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.912 -1.375 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.037 -0.047 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.811 0.222 -0.245 1.00 0.00 H new ATOM 484 N GLU A 29 -4.771 1.494 -0.113 1.00 0.00 N ATOM 485 CA GLU A 29 -5.650 2.638 0.069 1.00 0.00 C ATOM 486 C GLU A 29 -6.982 2.206 0.682 1.00 0.00 C ATOM 487 O GLU A 29 -7.620 2.975 1.402 1.00 0.00 O ATOM 488 CB GLU A 29 -5.845 3.374 -1.260 1.00 0.00 C ATOM 489 CG GLU A 29 -4.533 3.930 -1.808 1.00 0.00 C ATOM 490 CD GLU A 29 -4.679 4.654 -3.132 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.051 4.009 -4.132 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.371 5.865 -3.188 1.00 0.00 O ATOM 0 H GLU A 29 -4.613 1.230 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.185 3.333 0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.282 2.693 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.554 4.190 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.106 4.615 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.825 3.110 -1.929 1.00 0.00 H new ATOM 499 N GLN A 30 -7.389 0.964 0.426 1.00 0.00 N ATOM 500 CA GLN A 30 -8.569 0.405 1.086 1.00 0.00 C ATOM 501 C GLN A 30 -8.265 0.144 2.560 1.00 0.00 C ATOM 502 O GLN A 30 -9.128 0.302 3.423 1.00 0.00 O ATOM 503 CB GLN A 30 -9.021 -0.891 0.412 1.00 0.00 C ATOM 504 CG GLN A 30 -10.335 -1.428 0.958 1.00 0.00 C ATOM 505 CD GLN A 30 -10.741 -2.744 0.328 1.00 0.00 C ATOM 506 OE1 GLN A 30 -11.409 -2.771 -0.705 1.00 0.00 O ATOM 507 NE2 GLN A 30 -10.358 -3.847 0.956 1.00 0.00 N ATOM 0 H GLN A 30 -6.926 0.331 -0.226 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.378 1.130 1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.125 -0.718 -0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.247 -1.648 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.248 -1.559 2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.121 -0.692 0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.805 -3.781 1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.617 -4.761 0.585 1.00 0.00 H new ATOM 516 N LEU A 31 -7.030 -0.254 2.840 1.00 0.00 N ATOM 517 CA LEU A 31 -6.578 -0.465 4.209 1.00 0.00 C ATOM 518 C LEU A 31 -6.614 0.849 4.981 1.00 0.00 C ATOM 519 O LEU A 31 -7.001 0.883 6.147 1.00 0.00 O ATOM 520 CB LEU A 31 -5.163 -1.055 4.216 1.00 0.00 C ATOM 521 CG LEU A 31 -5.064 -2.506 3.740 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.618 -2.882 3.458 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.661 -3.443 4.780 1.00 0.00 C ATOM 0 H LEU A 31 -6.320 -0.438 2.132 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.248 -1.173 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.525 -0.437 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.765 -0.993 5.229 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.630 -2.604 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.570 -3.917 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.217 -2.229 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.029 -2.769 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.584 -4.472 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.117 -3.338 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.710 -3.191 4.938 1.00 0.00 H new ATOM 535 N ALA A 32 -6.224 1.930 4.316 1.00 0.00 N ATOM 536 CA ALA A 32 -6.299 3.257 4.910 1.00 0.00 C ATOM 537 C ALA A 32 -7.752 3.661 5.133 1.00 0.00 C ATOM 538 O ALA A 32 -8.087 4.248 6.158 1.00 0.00 O ATOM 539 CB ALA A 32 -5.584 4.272 4.039 1.00 0.00 C ATOM 0 H ALA A 32 -5.853 1.913 3.366 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.800 3.231 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.651 5.258 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.536 3.990 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.050 4.299 3.054 1.00 0.00 H new ATOM 545 N ARG A 33 -8.612 3.336 4.170 1.00 0.00 N ATOM 546 CA ARG A 33 -10.048 3.554 4.317 1.00 0.00 C ATOM 547 C ARG A 33 -10.581 2.834 5.550 1.00 0.00 C ATOM 548 O ARG A 33 -11.389 3.381 6.303 1.00 0.00 O ATOM 549 CB ARG A 33 -10.799 3.055 3.082 1.00 0.00 C ATOM 550 CG ARG A 33 -10.670 3.953 1.865 1.00 0.00 C ATOM 551 CD ARG A 33 -11.365 5.286 2.087 1.00 0.00 C ATOM 552 NE ARG A 33 -11.720 5.939 0.827 1.00 0.00 N ATOM 553 CZ ARG A 33 -12.244 7.159 0.742 1.00 0.00 C ATOM 554 NH1 ARG A 33 -12.396 7.899 1.834 1.00 0.00 N ATOM 555 NH2 ARG A 33 -12.604 7.643 -0.441 1.00 0.00 N ATOM 0 H ARG A 33 -8.338 2.921 3.279 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.209 4.626 4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.432 2.061 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.855 2.951 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.616 4.122 1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.101 3.456 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.266 5.130 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.713 5.942 2.664 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.556 5.427 -0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.111 7.533 2.742 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.798 8.834 1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.479 7.080 -1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.006 8.578 -0.509 1.00 0.00 H new ATOM 569 N GLN A 34 -10.120 1.603 5.747 1.00 0.00 N ATOM 570 CA GLN A 34 -10.530 0.792 6.888 1.00 0.00 C ATOM 571 C GLN A 34 -9.994 1.386 8.188 1.00 0.00 C ATOM 572 O GLN A 34 -10.680 1.399 9.209 1.00 0.00 O ATOM 573 CB GLN A 34 -10.035 -0.645 6.712 1.00 0.00 C ATOM 574 CG GLN A 34 -10.549 -1.606 7.769 1.00 0.00 C ATOM 575 CD GLN A 34 -10.156 -3.043 7.488 1.00 0.00 C ATOM 576 OE1 GLN A 34 -10.888 -3.973 7.826 1.00 0.00 O ATOM 577 NE2 GLN A 34 -8.996 -3.236 6.882 1.00 0.00 N ATOM 0 H GLN A 34 -9.456 1.142 5.125 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.619 0.785 6.940 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.338 -1.005 5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.945 -0.648 6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.161 -1.311 8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.635 -1.534 7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.419 -2.437 6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.678 -4.184 6.678 1.00 0.00 H new ATOM 586 N ALA A 35 -8.768 1.893 8.130 1.00 0.00 N ATOM 587 CA ALA A 35 -8.152 2.553 9.277 1.00 0.00 C ATOM 588 C ALA A 35 -8.759 3.937 9.490 1.00 0.00 C ATOM 589 O ALA A 35 -8.528 4.575 10.521 1.00 0.00 O ATOM 590 CB ALA A 35 -6.647 2.661 9.083 1.00 0.00 C ATOM 0 H ALA A 35 -8.178 1.860 7.298 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.346 1.950 10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.203 3.155 9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.221 1.663 8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.437 3.242 8.185 1.00 0.00 H new ATOM 596 N GLU A 36 -9.527 4.384 8.494 1.00 0.00 N ATOM 597 CA GLU A 36 -10.246 5.655 8.539 1.00 0.00 C ATOM 598 C GLU A 36 -9.288 6.840 8.484 1.00 0.00 C ATOM 599 O GLU A 36 -9.569 7.915 9.020 1.00 0.00 O ATOM 600 CB GLU A 36 -11.137 5.727 9.783 1.00 0.00 C ATOM 601 CG GLU A 36 -12.155 4.597 9.858 1.00 0.00 C ATOM 602 CD GLU A 36 -13.026 4.677 11.089 1.00 0.00 C ATOM 603 OE1 GLU A 36 -12.594 4.201 12.160 1.00 0.00 O ATOM 604 OE2 GLU A 36 -14.150 5.216 10.993 1.00 0.00 O ATOM 0 H GLU A 36 -9.667 3.867 7.626 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.884 5.709 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.509 5.701 10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.663 6.682 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.786 4.622 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.632 3.641 9.850 1.00 0.00 H new ATOM 611 N GLN A 37 -8.173 6.653 7.796 1.00 0.00 N ATOM 612 CA GLN A 37 -7.199 7.717 7.616 1.00 0.00 C ATOM 613 C GLN A 37 -6.905 7.898 6.130 1.00 0.00 C ATOM 614 O GLN A 37 -7.202 7.017 5.324 1.00 0.00 O ATOM 615 CB GLN A 37 -5.915 7.412 8.395 1.00 0.00 C ATOM 616 CG GLN A 37 -5.184 6.167 7.924 1.00 0.00 C ATOM 617 CD GLN A 37 -4.099 5.727 8.891 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.212 5.914 10.103 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.032 5.150 8.363 1.00 0.00 N ATOM 0 H GLN A 37 -7.920 5.771 7.352 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.612 8.647 8.007 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.243 8.267 8.315 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.162 7.298 9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.901 5.356 7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.739 6.359 6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.974 5.012 7.354 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.268 4.843 8.965 1.00 0.00 H new ATOM 628 N ASP A 38 -6.336 9.038 5.769 1.00 0.00 N ATOM 629 CA ASP A 38 -6.074 9.350 4.367 1.00 0.00 C ATOM 630 C ASP A 38 -4.606 9.122 4.045 1.00 0.00 C ATOM 631 O ASP A 38 -4.239 8.818 2.915 1.00 0.00 O ATOM 632 CB ASP A 38 -6.464 10.803 4.077 1.00 0.00 C ATOM 633 CG ASP A 38 -6.237 11.216 2.637 1.00 0.00 C ATOM 634 OD1 ASP A 38 -5.078 11.463 2.265 1.00 0.00 O ATOM 635 OD2 ASP A 38 -7.226 11.343 1.887 1.00 0.00 O ATOM 0 H ASP A 38 -6.046 9.764 6.425 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.673 8.692 3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.516 10.945 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.891 11.461 4.730 1.00 0.00 H new ATOM 640 N ILE A 39 -3.774 9.243 5.061 1.00 0.00 N ATOM 641 CA ILE A 39 -2.339 9.114 4.888 1.00 0.00 C ATOM 642 C ILE A 39 -1.908 7.669 5.080 1.00 0.00 C ATOM 643 O ILE A 39 -2.137 7.075 6.136 1.00 0.00 O ATOM 644 CB ILE A 39 -1.583 10.017 5.880 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.038 11.467 5.715 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.081 9.903 5.669 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.519 12.386 6.795 1.00 0.00 C ATOM 0 H ILE A 39 -4.068 9.431 6.019 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.095 9.428 3.873 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.810 9.690 6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.706 11.836 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.127 11.500 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.436 10.548 6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.231 8.870 5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.168 10.209 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.880 13.399 6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.872 12.041 7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.429 12.382 6.783 1.00 0.00 H new ATOM 659 N VAL A 40 -1.301 7.095 4.052 1.00 0.00 N ATOM 660 CA VAL A 40 -0.825 5.725 4.134 1.00 0.00 C ATOM 661 C VAL A 40 0.640 5.686 4.554 1.00 0.00 C ATOM 662 O VAL A 40 1.466 6.480 4.088 1.00 0.00 O ATOM 663 CB VAL A 40 -1.003 4.959 2.801 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.449 5.017 2.334 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.076 5.493 1.728 1.00 0.00 C ATOM 0 H VAL A 40 -1.128 7.554 3.158 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.434 5.228 4.889 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.739 3.917 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.550 4.472 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.093 4.564 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.741 6.056 2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.227 4.933 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.292 6.547 1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.958 5.384 2.054 1.00 0.00 H new ATOM 675 N THR A 41 0.950 4.779 5.458 1.00 0.00 N ATOM 676 CA THR A 41 2.310 4.572 5.895 1.00 0.00 C ATOM 677 C THR A 41 2.909 3.379 5.156 1.00 0.00 C ATOM 678 O THR A 41 2.168 2.545 4.624 1.00 0.00 O ATOM 679 CB THR A 41 2.360 4.323 7.415 1.00 0.00 C ATOM 680 OG1 THR A 41 1.400 3.319 7.770 1.00 0.00 O ATOM 681 CG2 THR A 41 2.072 5.605 8.186 1.00 0.00 C ATOM 0 H THR A 41 0.267 4.168 5.907 1.00 0.00 H new ATOM 0 HA THR A 41 2.889 5.468 5.672 1.00 0.00 H new ATOM 0 HB THR A 41 3.362 3.983 7.677 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.434 3.161 8.737 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.113 5.403 9.256 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.817 6.359 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.080 5.972 7.924 1.00 0.00 H new ATOM 689 N PRO A 42 4.247 3.270 5.098 1.00 0.00 N ATOM 690 CA PRO A 42 4.913 2.126 4.467 1.00 0.00 C ATOM 691 C PRO A 42 4.524 0.811 5.140 1.00 0.00 C ATOM 692 O PRO A 42 4.636 -0.265 4.550 1.00 0.00 O ATOM 693 CB PRO A 42 6.407 2.410 4.662 1.00 0.00 C ATOM 694 CG PRO A 42 6.472 3.427 5.752 1.00 0.00 C ATOM 695 CD PRO A 42 5.217 4.242 5.629 1.00 0.00 C ATOM 0 HA PRO A 42 4.634 2.016 3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.948 1.504 4.936 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.859 2.786 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.533 2.949 6.730 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.357 4.055 5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.900 4.645 6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.350 5.090 4.957 1.00 0.00 H new ATOM 703 N GLU A 43 4.059 0.925 6.380 1.00 0.00 N ATOM 704 CA GLU A 43 3.567 -0.209 7.146 1.00 0.00 C ATOM 705 C GLU A 43 2.394 -0.873 6.426 1.00 0.00 C ATOM 706 O GLU A 43 2.389 -2.086 6.208 1.00 0.00 O ATOM 707 CB GLU A 43 3.142 0.271 8.534 1.00 0.00 C ATOM 708 CG GLU A 43 2.579 -0.815 9.428 1.00 0.00 C ATOM 709 CD GLU A 43 2.310 -0.311 10.828 1.00 0.00 C ATOM 710 OE1 GLU A 43 3.244 -0.329 11.656 1.00 0.00 O ATOM 711 OE2 GLU A 43 1.170 0.121 11.102 1.00 0.00 O ATOM 0 H GLU A 43 4.014 1.812 6.882 1.00 0.00 H new ATOM 0 HA GLU A 43 4.361 -0.949 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.003 0.721 9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.393 1.055 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.654 -1.197 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.279 -1.649 9.471 1.00 0.00 H new ATOM 718 N LEU A 44 1.414 -0.063 6.037 1.00 0.00 N ATOM 719 CA LEU A 44 0.245 -0.552 5.313 1.00 0.00 C ATOM 720 C LEU A 44 0.641 -1.049 3.926 1.00 0.00 C ATOM 721 O LEU A 44 0.079 -2.021 3.422 1.00 0.00 O ATOM 722 CB LEU A 44 -0.820 0.548 5.196 1.00 0.00 C ATOM 723 CG LEU A 44 -1.746 0.719 6.411 1.00 0.00 C ATOM 724 CD1 LEU A 44 -0.953 1.028 7.671 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.761 1.817 6.143 1.00 0.00 C ATOM 0 H LEU A 44 1.407 0.942 6.213 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.177 -1.385 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.316 1.497 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.436 0.339 4.321 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.272 -0.222 6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.637 1.143 8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.261 0.211 7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.392 1.952 7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.412 1.930 7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.240 2.756 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.360 1.554 5.271 1.00 0.00 H new ATOM 737 N VAL A 45 1.616 -0.375 3.326 1.00 0.00 N ATOM 738 CA VAL A 45 2.132 -0.764 2.017 1.00 0.00 C ATOM 739 C VAL A 45 2.674 -2.188 2.047 1.00 0.00 C ATOM 740 O VAL A 45 2.254 -3.037 1.258 1.00 0.00 O ATOM 741 CB VAL A 45 3.246 0.195 1.546 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.836 -0.262 0.220 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.711 1.612 1.434 1.00 0.00 C ATOM 0 H VAL A 45 2.067 0.447 3.727 1.00 0.00 H new ATOM 0 HA VAL A 45 1.300 -0.710 1.315 1.00 0.00 H new ATOM 0 HB VAL A 45 4.043 0.182 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.618 0.432 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.260 -1.260 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.053 -0.286 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.508 2.277 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.893 1.636 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.347 1.941 2.407 1.00 0.00 H new ATOM 753 N GLU A 46 3.593 -2.444 2.973 1.00 0.00 N ATOM 754 CA GLU A 46 4.189 -3.764 3.107 1.00 0.00 C ATOM 755 C GLU A 46 3.126 -4.780 3.515 1.00 0.00 C ATOM 756 O GLU A 46 3.116 -5.907 3.030 1.00 0.00 O ATOM 757 CB GLU A 46 5.311 -3.747 4.147 1.00 0.00 C ATOM 758 CG GLU A 46 6.246 -4.943 4.053 1.00 0.00 C ATOM 759 CD GLU A 46 7.389 -4.721 3.080 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.138 -4.605 1.864 1.00 0.00 O ATOM 761 OE2 GLU A 46 8.551 -4.639 3.536 1.00 0.00 O ATOM 0 H GLU A 46 3.939 -1.754 3.640 1.00 0.00 H new ATOM 0 HA GLU A 46 4.610 -4.049 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.892 -2.832 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.871 -3.718 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.653 -5.159 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.677 -5.820 3.744 1.00 0.00 H new ATOM 768 N GLN A 47 2.220 -4.357 4.391 1.00 0.00 N ATOM 769 CA GLN A 47 1.165 -5.228 4.900 1.00 0.00 C ATOM 770 C GLN A 47 0.370 -5.840 3.747 1.00 0.00 C ATOM 771 O GLN A 47 0.213 -7.060 3.666 1.00 0.00 O ATOM 772 CB GLN A 47 0.240 -4.436 5.831 1.00 0.00 C ATOM 773 CG GLN A 47 -0.329 -5.249 6.988 1.00 0.00 C ATOM 774 CD GLN A 47 -1.296 -6.337 6.557 1.00 0.00 C ATOM 775 OE1 GLN A 47 -1.390 -7.386 7.195 1.00 0.00 O ATOM 776 NE2 GLN A 47 -2.028 -6.089 5.486 1.00 0.00 N ATOM 0 H GLN A 47 2.195 -3.409 4.766 1.00 0.00 H new ATOM 0 HA GLN A 47 1.622 -6.041 5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.791 -3.587 6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.586 -4.031 5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.494 -5.705 7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.839 -4.575 7.677 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.918 -5.206 4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.703 -6.780 5.158 1.00 0.00 H new ATOM 785 N ALA A 48 -0.115 -4.990 2.847 1.00 0.00 N ATOM 786 CA ALA A 48 -0.870 -5.458 1.689 1.00 0.00 C ATOM 787 C ALA A 48 0.008 -6.311 0.785 1.00 0.00 C ATOM 788 O ALA A 48 -0.461 -7.260 0.157 1.00 0.00 O ATOM 789 CB ALA A 48 -1.436 -4.279 0.914 1.00 0.00 C ATOM 0 H ALA A 48 0.000 -3.978 2.896 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.697 -6.072 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.996 -4.645 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.098 -3.703 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.620 -3.643 0.572 1.00 0.00 H new ATOM 795 N ARG A 49 1.289 -5.981 0.755 1.00 0.00 N ATOM 796 CA ARG A 49 2.254 -6.700 -0.058 1.00 0.00 C ATOM 797 C ARG A 49 2.423 -8.111 0.489 1.00 0.00 C ATOM 798 O ARG A 49 2.611 -9.074 -0.260 1.00 0.00 O ATOM 799 CB ARG A 49 3.578 -5.950 -0.033 1.00 0.00 C ATOM 800 CG ARG A 49 4.636 -6.503 -0.963 1.00 0.00 C ATOM 801 CD ARG A 49 5.949 -5.800 -0.716 1.00 0.00 C ATOM 802 NE ARG A 49 7.016 -6.260 -1.598 1.00 0.00 N ATOM 803 CZ ARG A 49 8.301 -5.983 -1.405 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.689 -5.350 -0.302 1.00 0.00 N ATOM 805 NH2 ARG A 49 9.201 -6.358 -2.305 1.00 0.00 N ATOM 0 H ARG A 49 1.687 -5.210 1.292 1.00 0.00 H new ATOM 0 HA ARG A 49 1.905 -6.767 -1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.394 -4.907 -0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.967 -5.961 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.751 -7.575 -0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.329 -6.367 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.811 -4.727 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.249 -5.956 0.320 1.00 0.00 H new ATOM 0 HE ARG A 49 6.761 -6.826 -2.408 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.000 -5.076 0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.676 -5.138 -0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.906 -6.858 -3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.188 -6.146 -2.158 1.00 0.00 H new ATOM 819 N LEU A 50 2.336 -8.213 1.808 1.00 0.00 N ATOM 820 CA LEU A 50 2.433 -9.485 2.502 1.00 0.00 C ATOM 821 C LEU A 50 1.255 -10.376 2.127 1.00 0.00 C ATOM 822 O LEU A 50 1.431 -11.553 1.827 1.00 0.00 O ATOM 823 CB LEU A 50 2.454 -9.251 4.018 1.00 0.00 C ATOM 824 CG LEU A 50 3.377 -10.174 4.822 1.00 0.00 C ATOM 825 CD1 LEU A 50 2.848 -11.598 4.830 1.00 0.00 C ATOM 826 CD2 LEU A 50 4.790 -10.131 4.254 1.00 0.00 C ATOM 0 H LEU A 50 2.196 -7.414 2.426 1.00 0.00 H new ATOM 0 HA LEU A 50 3.357 -9.981 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.752 -8.219 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.439 -9.363 4.398 1.00 0.00 H new ATOM 0 HG LEU A 50 3.403 -9.819 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.521 -12.233 5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.856 -11.615 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.787 -11.969 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.435 -10.791 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.775 -10.460 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.172 -9.112 4.306 1.00 0.00 H new ATOM 838 N GLU A 51 0.059 -9.796 2.129 1.00 0.00 N ATOM 839 CA GLU A 51 -1.155 -10.536 1.803 1.00 0.00 C ATOM 840 C GLU A 51 -1.074 -11.130 0.403 1.00 0.00 C ATOM 841 O GLU A 51 -1.337 -12.317 0.208 1.00 0.00 O ATOM 842 CB GLU A 51 -2.384 -9.636 1.919 1.00 0.00 C ATOM 843 CG GLU A 51 -2.631 -9.130 3.331 1.00 0.00 C ATOM 844 CD GLU A 51 -3.941 -8.389 3.461 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.981 -8.923 3.015 1.00 0.00 O ATOM 846 OE2 GLU A 51 -3.945 -7.271 4.011 1.00 0.00 O ATOM 0 H GLU A 51 -0.096 -8.813 2.353 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.249 -11.352 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.265 -8.783 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.261 -10.186 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.625 -9.973 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.814 -8.471 3.625 1.00 0.00 H new ATOM 853 N PHE A 52 -0.687 -10.309 -0.568 1.00 0.00 N ATOM 854 CA PHE A 52 -0.565 -10.771 -1.951 1.00 0.00 C ATOM 855 C PHE A 52 0.608 -11.733 -2.105 1.00 0.00 C ATOM 856 O PHE A 52 0.696 -12.468 -3.095 1.00 0.00 O ATOM 857 CB PHE A 52 -0.412 -9.590 -2.917 1.00 0.00 C ATOM 858 CG PHE A 52 -1.659 -8.761 -3.053 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.793 -9.289 -3.649 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.698 -7.459 -2.585 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.941 -8.533 -3.777 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.842 -6.698 -2.712 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.966 -7.236 -3.306 1.00 0.00 C ATOM 0 H PHE A 52 -0.453 -9.326 -0.427 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.483 -11.303 -2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.403 -8.953 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.128 -9.968 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.779 -10.304 -4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.823 -7.034 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.818 -8.956 -4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.858 -5.682 -2.347 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.863 -6.643 -3.402 1.00 0.00 H new