USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 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 Set 1.1: A 4 THR OG1 : rot -66:sc= 0.935 USER MOD Set 1.2: A 7 THR OG1 : rot 140:sc= 0.638 USER MOD Single : A 3 TYR OH : rot 140:sc= 0.192 USER MOD Single : A 10 LYS NZ :NH3+ -164:sc= -0.0138 (180deg=-0.288) USER MOD Single : A 12 THR OG1 : rot 21:sc= -2.75! USER MOD Single : A 15 SER OG : rot -145:sc= -3.53! USER MOD Single : A 19 SER OG : rot 180:sc= -0.185 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.192 K(o=-0.19,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 68:sc= 0.978 USER MOD Single : A 31 MET CE :methyl 175:sc=-0.00235 (180deg=-0.0473) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.25) USER MOD Single : A 50 HIS : no HE2:sc= -2.75! C(o=-2.7!,f=-3.8!) USER MOD Single : A 53 THR OG1 : rot 120:sc= -1.49 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -16.272 -15.299 -9.780 1.00 0.00 N ATOM 38 CA TYR A 3 -15.596 -14.448 -8.811 1.00 0.00 C ATOM 39 C TYR A 3 -16.080 -14.788 -7.409 1.00 0.00 C ATOM 40 O TYR A 3 -17.270 -15.015 -7.195 1.00 0.00 O ATOM 41 CB TYR A 3 -15.899 -12.979 -9.119 1.00 0.00 C ATOM 42 CG TYR A 3 -15.477 -12.667 -10.536 1.00 0.00 C ATOM 43 CD1 TYR A 3 -16.316 -13.025 -11.599 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.253 -12.034 -10.793 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.935 -12.747 -12.916 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.875 -11.759 -12.112 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.716 -12.116 -13.173 1.00 0.00 C ATOM 48 OH TYR A 3 -14.339 -11.845 -14.473 1.00 0.00 O ATOM 0 HA TYR A 3 -14.520 -14.614 -8.871 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.963 -12.781 -8.993 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.370 -12.332 -8.419 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -17.258 -13.516 -11.402 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.603 -11.759 -9.975 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.584 -13.021 -13.735 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.933 -11.270 -12.312 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.921 -10.960 -14.515 1.00 0.00 H new ATOM 58 N THR A 4 -15.155 -14.839 -6.454 1.00 0.00 N ATOM 59 CA THR A 4 -15.509 -15.175 -5.071 1.00 0.00 C ATOM 60 C THR A 4 -14.757 -14.261 -4.097 1.00 0.00 C ATOM 61 O THR A 4 -13.702 -13.724 -4.435 1.00 0.00 O ATOM 62 CB THR A 4 -15.166 -16.659 -4.782 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.072 -16.732 -3.879 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.792 -17.378 -6.084 1.00 0.00 C ATOM 0 H THR A 4 -14.163 -14.655 -6.606 1.00 0.00 H new ATOM 0 HA THR A 4 -16.580 -15.027 -4.935 1.00 0.00 H new ATOM 0 HB THR A 4 -16.039 -17.140 -4.342 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.269 -16.370 -4.308 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.553 -18.419 -5.869 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.631 -17.334 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.925 -16.892 -6.532 1.00 0.00 H new ATOM 72 N PRO A 5 -15.276 -14.077 -2.907 1.00 0.00 N ATOM 73 CA PRO A 5 -14.634 -13.206 -1.877 1.00 0.00 C ATOM 74 C PRO A 5 -13.305 -13.775 -1.384 1.00 0.00 C ATOM 75 O PRO A 5 -12.465 -13.040 -0.867 1.00 0.00 O ATOM 76 CB PRO A 5 -15.674 -13.150 -0.744 1.00 0.00 C ATOM 77 CG PRO A 5 -16.487 -14.394 -0.907 1.00 0.00 C ATOM 78 CD PRO A 5 -16.525 -14.677 -2.408 1.00 0.00 C ATOM 0 HA PRO A 5 -14.382 -12.222 -2.273 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.192 -13.118 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.296 -12.258 -0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.040 -15.227 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.493 -14.258 -0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.565 -15.747 -2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.400 -14.229 -2.878 1.00 0.00 H new ATOM 86 N ASP A 6 -13.119 -15.086 -1.542 1.00 0.00 N ATOM 87 CA ASP A 6 -11.883 -15.739 -1.109 1.00 0.00 C ATOM 88 C ASP A 6 -11.419 -16.738 -2.157 1.00 0.00 C ATOM 89 O ASP A 6 -11.842 -17.894 -2.155 1.00 0.00 O ATOM 90 CB ASP A 6 -12.117 -16.461 0.219 1.00 0.00 C ATOM 91 CG ASP A 6 -13.269 -17.449 0.076 1.00 0.00 C ATOM 92 OD1 ASP A 6 -13.940 -17.401 -0.942 1.00 0.00 O ATOM 93 OD2 ASP A 6 -13.464 -18.237 0.986 1.00 0.00 O ATOM 0 H ASP A 6 -13.804 -15.713 -1.964 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.112 -14.979 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.211 -16.986 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.342 -15.737 1.002 1.00 0.00 H new ATOM 98 N THR A 7 -10.543 -16.292 -3.053 1.00 0.00 N ATOM 99 CA THR A 7 -10.028 -17.167 -4.105 1.00 0.00 C ATOM 100 C THR A 7 -8.534 -16.913 -4.306 1.00 0.00 C ATOM 101 O THR A 7 -8.107 -15.769 -4.470 1.00 0.00 O ATOM 102 CB THR A 7 -10.800 -16.896 -5.413 1.00 0.00 C ATOM 103 OG1 THR A 7 -12.078 -16.370 -5.090 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.998 -18.192 -6.203 1.00 0.00 C ATOM 0 H THR A 7 -10.177 -15.340 -3.074 1.00 0.00 H new ATOM 0 HA THR A 7 -10.166 -18.209 -3.817 1.00 0.00 H new ATOM 0 HB THR A 7 -10.228 -16.192 -6.017 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.307 -15.656 -5.721 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.544 -17.978 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.026 -18.620 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.564 -18.902 -5.601 1.00 0.00 H new ATOM 112 N ALA A 8 -7.748 -17.983 -4.305 1.00 0.00 N ATOM 113 CA ALA A 8 -6.304 -17.861 -4.504 1.00 0.00 C ATOM 114 C ALA A 8 -5.991 -17.970 -5.985 1.00 0.00 C ATOM 115 O ALA A 8 -6.000 -19.062 -6.552 1.00 0.00 O ATOM 116 CB ALA A 8 -5.572 -18.973 -3.745 1.00 0.00 C ATOM 0 H ALA A 8 -8.080 -18.938 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.971 -16.894 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.498 -18.873 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.794 -18.894 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.903 -19.944 -4.114 1.00 0.00 H new ATOM 122 N TRP A 9 -5.731 -16.829 -6.622 1.00 0.00 N ATOM 123 CA TRP A 9 -5.436 -16.810 -8.058 1.00 0.00 C ATOM 124 C TRP A 9 -3.938 -16.674 -8.288 1.00 0.00 C ATOM 125 O TRP A 9 -3.265 -15.888 -7.623 1.00 0.00 O ATOM 126 CB TRP A 9 -6.174 -15.639 -8.733 1.00 0.00 C ATOM 127 CG TRP A 9 -7.613 -15.998 -8.983 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.328 -16.915 -8.289 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.519 -15.462 -9.992 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.607 -16.972 -8.804 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.775 -16.096 -9.851 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.375 -14.496 -11.003 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.851 -15.786 -10.680 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.453 -14.181 -11.842 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.692 -14.823 -11.682 1.00 0.00 C ATOM 0 H TRP A 9 -5.718 -15.913 -6.174 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.777 -17.748 -8.495 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.119 -14.753 -8.100 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.686 -15.389 -9.675 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.957 -17.507 -7.465 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.339 -17.589 -8.451 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.428 -13.993 -11.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.800 -16.285 -10.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.330 -13.439 -12.617 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.519 -14.574 -12.330 1.00 0.00 H new ATOM 146 N LYS A 10 -3.424 -17.444 -9.244 1.00 0.00 N ATOM 147 CA LYS A 10 -2.002 -17.405 -9.571 1.00 0.00 C ATOM 148 C LYS A 10 -1.761 -16.458 -10.738 1.00 0.00 C ATOM 149 O LYS A 10 -2.432 -16.544 -11.766 1.00 0.00 O ATOM 150 CB LYS A 10 -1.510 -18.803 -9.930 1.00 0.00 C ATOM 151 CG LYS A 10 0.003 -18.765 -10.147 1.00 0.00 C ATOM 152 CD LYS A 10 0.520 -20.183 -10.379 1.00 0.00 C ATOM 153 CE LYS A 10 2.035 -20.150 -10.563 1.00 0.00 C ATOM 154 NZ LYS A 10 2.366 -19.469 -11.847 1.00 0.00 N ATOM 0 H LYS A 10 -3.969 -18.100 -9.804 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.451 -17.046 -8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.757 -19.504 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.010 -19.157 -10.832 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.243 -18.135 -11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.495 -18.325 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.260 -20.819 -9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.045 -20.615 -11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.502 -19.625 -9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.434 -21.164 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.351 -19.679 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.730 -19.811 -12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.249 -18.442 -11.735 1.00 0.00 H new ATOM 168 N ILE A 11 -0.808 -15.548 -10.567 1.00 0.00 N ATOM 169 CA ILE A 11 -0.493 -14.574 -11.607 1.00 0.00 C ATOM 170 C ILE A 11 0.440 -15.194 -12.641 1.00 0.00 C ATOM 171 O ILE A 11 1.529 -15.661 -12.303 1.00 0.00 O ATOM 172 CB ILE A 11 0.187 -13.350 -10.977 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.633 -12.850 -9.783 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.275 -12.223 -12.010 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.197 -11.842 -8.985 1.00 0.00 C ATOM 0 H ILE A 11 -0.242 -15.464 -9.722 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.418 -14.269 -12.097 1.00 0.00 H new ATOM 0 HB ILE A 11 1.185 -13.637 -10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.556 -12.385 -10.130 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.918 -13.688 -9.147 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.758 -11.355 -11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.858 -12.560 -12.867 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.728 -11.951 -12.338 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.384 -11.484 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.107 -12.323 -8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.460 -11.000 -9.625 1.00 0.00 H new ATOM 187 N THR A 12 0.014 -15.194 -13.907 1.00 0.00 N ATOM 188 CA THR A 12 0.831 -15.758 -14.988 1.00 0.00 C ATOM 189 C THR A 12 1.339 -14.651 -15.910 1.00 0.00 C ATOM 190 O THR A 12 2.306 -14.844 -16.647 1.00 0.00 O ATOM 191 CB THR A 12 -0.003 -16.762 -15.794 1.00 0.00 C ATOM 192 OG1 THR A 12 -1.291 -16.218 -16.030 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.142 -18.069 -15.011 1.00 0.00 C ATOM 0 H THR A 12 -0.883 -14.814 -14.208 1.00 0.00 H new ATOM 0 HA THR A 12 1.690 -16.266 -14.549 1.00 0.00 H new ATOM 0 HB THR A 12 0.494 -16.962 -16.743 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.258 -15.244 -15.929 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.735 -18.778 -15.589 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.847 -18.489 -14.826 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.637 -17.872 -14.060 1.00 0.00 H new ATOM 201 N GLY A 13 0.683 -13.492 -15.860 1.00 0.00 N ATOM 202 CA GLY A 13 1.076 -12.355 -16.695 1.00 0.00 C ATOM 203 C GLY A 13 -0.138 -11.544 -17.124 1.00 0.00 C ATOM 204 O GLY A 13 -1.272 -11.866 -16.772 1.00 0.00 O ATOM 0 H GLY A 13 -0.118 -13.315 -15.254 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.767 -11.717 -16.144 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.607 -12.714 -17.576 1.00 0.00 H new ATOM 208 N PHE A 14 0.111 -10.485 -17.890 1.00 0.00 N ATOM 209 CA PHE A 14 -0.961 -9.620 -18.376 1.00 0.00 C ATOM 210 C PHE A 14 -1.307 -9.966 -19.823 1.00 0.00 C ATOM 211 O PHE A 14 -0.494 -10.541 -20.546 1.00 0.00 O ATOM 212 CB PHE A 14 -0.524 -8.159 -18.279 1.00 0.00 C ATOM 213 CG PHE A 14 0.920 -8.035 -18.700 1.00 0.00 C ATOM 214 CD1 PHE A 14 1.246 -7.886 -20.049 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.929 -8.055 -17.733 1.00 0.00 C ATOM 216 CE1 PHE A 14 2.586 -7.759 -20.435 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.268 -7.925 -18.114 1.00 0.00 C ATOM 218 CZ PHE A 14 3.598 -7.777 -19.466 1.00 0.00 C ATOM 0 H PHE A 14 1.046 -10.205 -18.188 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.847 -9.774 -17.760 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.154 -7.537 -18.915 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.648 -7.799 -17.258 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.465 -7.869 -20.795 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.674 -8.171 -16.690 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.839 -7.647 -21.479 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.047 -7.939 -17.366 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.632 -7.677 -19.762 1.00 0.00 H new ATOM 228 N SER A 15 -2.521 -9.613 -20.235 1.00 0.00 N ATOM 229 CA SER A 15 -2.973 -9.890 -21.595 1.00 0.00 C ATOM 230 C SER A 15 -2.318 -8.936 -22.587 1.00 0.00 C ATOM 231 O SER A 15 -1.740 -7.924 -22.201 1.00 0.00 O ATOM 232 CB SER A 15 -4.494 -9.750 -21.676 1.00 0.00 C ATOM 233 OG SER A 15 -5.095 -10.899 -21.105 1.00 0.00 O ATOM 0 H SER A 15 -3.207 -9.137 -19.650 1.00 0.00 H new ATOM 0 HA SER A 15 -2.686 -10.910 -21.851 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.818 -8.854 -21.147 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.807 -9.638 -22.714 1.00 0.00 H new ATOM 0 HG SER A 15 -5.917 -11.115 -21.593 1.00 0.00 H new ATOM 239 N ARG A 16 -2.415 -9.266 -23.870 1.00 0.00 N ATOM 240 CA ARG A 16 -1.836 -8.421 -24.905 1.00 0.00 C ATOM 241 C ARG A 16 -2.626 -7.123 -25.041 1.00 0.00 C ATOM 242 O ARG A 16 -2.052 -6.054 -25.251 1.00 0.00 O ATOM 243 CB ARG A 16 -1.826 -9.161 -26.242 1.00 0.00 C ATOM 244 CG ARG A 16 -0.793 -10.286 -26.190 1.00 0.00 C ATOM 245 CD ARG A 16 -0.803 -11.047 -27.516 1.00 0.00 C ATOM 246 NE ARG A 16 -2.058 -11.772 -27.672 1.00 0.00 N ATOM 247 CZ ARG A 16 -2.302 -12.494 -28.759 1.00 0.00 C ATOM 248 NH1 ARG A 16 -1.410 -12.565 -29.708 1.00 0.00 N ATOM 249 NH2 ARG A 16 -3.434 -13.133 -28.877 1.00 0.00 N ATOM 0 H ARG A 16 -2.884 -10.104 -24.215 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.812 -8.180 -24.620 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.815 -9.569 -26.452 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.588 -8.470 -27.051 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.199 -9.875 -26.001 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.019 -10.964 -25.367 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.672 -10.351 -28.344 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.034 -11.744 -27.550 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.760 -11.724 -26.934 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.525 -12.066 -29.615 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.597 -13.120 -30.543 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.131 -13.077 -28.134 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.622 -13.688 -29.712 1.00 0.00 H new ATOM 263 N GLU A 17 -3.948 -7.229 -24.932 1.00 0.00 N ATOM 264 CA GLU A 17 -4.817 -6.063 -25.056 1.00 0.00 C ATOM 265 C GLU A 17 -4.726 -5.196 -23.802 1.00 0.00 C ATOM 266 O GLU A 17 -5.280 -4.099 -23.746 1.00 0.00 O ATOM 267 CB GLU A 17 -6.264 -6.521 -25.273 1.00 0.00 C ATOM 268 CG GLU A 17 -7.133 -5.325 -25.682 1.00 0.00 C ATOM 269 CD GLU A 17 -8.529 -5.798 -26.076 1.00 0.00 C ATOM 270 OE1 GLU A 17 -8.847 -6.942 -25.796 1.00 0.00 O ATOM 271 OE2 GLU A 17 -9.259 -5.006 -26.649 1.00 0.00 O ATOM 0 H GLU A 17 -4.439 -8.106 -24.759 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.494 -5.470 -25.912 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.300 -7.289 -26.046 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.654 -6.970 -24.359 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.201 -4.616 -24.857 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.670 -4.799 -26.517 1.00 0.00 H new ATOM 278 N ILE A 18 -4.010 -5.691 -22.795 1.00 0.00 N ATOM 279 CA ILE A 18 -3.849 -4.951 -21.544 1.00 0.00 C ATOM 280 C ILE A 18 -3.618 -3.469 -21.827 1.00 0.00 C ATOM 281 O ILE A 18 -3.008 -3.106 -22.833 1.00 0.00 O ATOM 282 CB ILE A 18 -2.662 -5.520 -20.760 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.566 -4.852 -19.381 1.00 0.00 C ATOM 284 CG2 ILE A 18 -1.369 -5.267 -21.538 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.792 -5.205 -18.525 1.00 0.00 C ATOM 0 H ILE A 18 -3.535 -6.594 -22.819 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.759 -5.055 -20.954 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.808 -6.592 -20.625 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.657 -5.177 -18.876 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.496 -3.771 -19.498 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.524 -5.672 -20.981 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.429 -5.754 -22.511 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.232 -4.195 -21.677 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.707 -4.723 -17.551 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.697 -4.857 -19.024 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.844 -6.286 -18.392 1.00 0.00 H new ATOM 297 N SER A 19 -4.116 -2.619 -20.938 1.00 0.00 N ATOM 298 CA SER A 19 -3.964 -1.182 -21.108 1.00 0.00 C ATOM 299 C SER A 19 -2.511 -0.771 -20.865 1.00 0.00 C ATOM 300 O SER A 19 -1.773 -1.459 -20.160 1.00 0.00 O ATOM 301 CB SER A 19 -4.889 -0.446 -20.128 1.00 0.00 C ATOM 302 OG SER A 19 -4.230 0.703 -19.613 1.00 0.00 O ATOM 0 H SER A 19 -4.624 -2.898 -20.099 1.00 0.00 H new ATOM 0 HA SER A 19 -4.236 -0.914 -22.129 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.809 -0.153 -20.633 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.172 -1.111 -19.312 1.00 0.00 H new ATOM 0 HG SER A 19 -4.825 1.170 -18.990 1.00 0.00 H new ATOM 308 N PRO A 20 -2.088 0.331 -21.434 1.00 0.00 N ATOM 309 CA PRO A 20 -0.690 0.832 -21.269 1.00 0.00 C ATOM 310 C PRO A 20 -0.378 1.201 -19.819 1.00 0.00 C ATOM 311 O PRO A 20 0.763 1.088 -19.374 1.00 0.00 O ATOM 312 CB PRO A 20 -0.634 2.067 -22.190 1.00 0.00 C ATOM 313 CG PRO A 20 -2.058 2.500 -22.342 1.00 0.00 C ATOM 314 CD PRO A 20 -2.890 1.224 -22.285 1.00 0.00 C ATOM 0 HA PRO A 20 0.052 0.077 -21.526 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.025 2.858 -21.753 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.191 1.820 -23.155 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.344 3.189 -21.547 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.209 3.023 -23.286 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.876 1.406 -21.859 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.045 0.801 -23.277 1.00 0.00 H new ATOM 322 N ALA A 21 -1.396 1.652 -19.094 1.00 0.00 N ATOM 323 CA ALA A 21 -1.209 2.045 -17.703 1.00 0.00 C ATOM 324 C ALA A 21 -0.831 0.845 -16.835 1.00 0.00 C ATOM 325 O ALA A 21 0.174 0.873 -16.126 1.00 0.00 O ATOM 326 CB ALA A 21 -2.499 2.675 -17.166 1.00 0.00 C ATOM 0 H ALA A 21 -2.349 1.754 -19.442 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.396 2.770 -17.662 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.355 2.968 -16.126 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.749 3.555 -17.759 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.312 1.951 -17.231 1.00 0.00 H new ATOM 332 N TYR A 22 -1.639 -0.205 -16.897 1.00 0.00 N ATOM 333 CA TYR A 22 -1.385 -1.404 -16.108 1.00 0.00 C ATOM 334 C TYR A 22 -0.064 -2.051 -16.521 1.00 0.00 C ATOM 335 O TYR A 22 0.766 -2.426 -15.685 1.00 0.00 O ATOM 336 CB TYR A 22 -2.534 -2.391 -16.305 1.00 0.00 C ATOM 337 CG TYR A 22 -2.315 -3.597 -15.431 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.451 -4.610 -15.852 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.979 -3.707 -14.201 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.248 -5.733 -15.047 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.774 -4.833 -13.396 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.909 -5.846 -13.820 1.00 0.00 C ATOM 343 OH TYR A 22 -1.703 -6.956 -13.027 1.00 0.00 O ATOM 0 H TYR A 22 -2.473 -0.252 -17.483 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.316 -1.128 -15.056 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.483 -1.916 -16.056 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.593 -2.692 -17.351 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.940 -4.525 -16.800 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.648 -2.924 -13.875 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.579 -6.516 -15.373 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.284 -4.919 -12.448 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.236 -6.877 -12.209 1.00 0.00 H new ATOM 353 N ARG A 23 0.131 -2.178 -17.820 1.00 0.00 N ATOM 354 CA ARG A 23 1.348 -2.778 -18.326 1.00 0.00 C ATOM 355 C ARG A 23 2.558 -1.995 -17.820 1.00 0.00 C ATOM 356 O ARG A 23 3.552 -2.575 -17.370 1.00 0.00 O ATOM 357 CB ARG A 23 1.318 -2.782 -19.852 1.00 0.00 C ATOM 358 CG ARG A 23 2.414 -3.707 -20.381 1.00 0.00 C ATOM 359 CD ARG A 23 2.351 -3.754 -21.908 1.00 0.00 C ATOM 360 NE ARG A 23 2.650 -2.440 -22.474 1.00 0.00 N ATOM 361 CZ ARG A 23 3.900 -2.062 -22.734 1.00 0.00 C ATOM 362 NH1 ARG A 23 4.894 -2.869 -22.486 1.00 0.00 N ATOM 363 NH2 ARG A 23 4.130 -0.882 -23.241 1.00 0.00 N ATOM 0 H ARG A 23 -0.530 -1.877 -18.536 1.00 0.00 H new ATOM 0 HA ARG A 23 1.423 -3.806 -17.971 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.343 -3.116 -20.206 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.466 -1.771 -20.232 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.392 -3.351 -20.058 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.288 -4.709 -19.971 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.062 -4.489 -22.285 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.360 -4.077 -22.227 1.00 0.00 H new ATOM 0 HE ARG A 23 1.883 -1.798 -22.674 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.715 -3.793 -22.092 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.850 -2.577 -22.686 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.353 -0.251 -23.437 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.087 -0.590 -23.441 1.00 0.00 H new ATOM 377 N GLN A 24 2.460 -0.670 -17.879 1.00 0.00 N ATOM 378 CA GLN A 24 3.545 0.183 -17.416 1.00 0.00 C ATOM 379 C GLN A 24 3.803 -0.057 -15.933 1.00 0.00 C ATOM 380 O GLN A 24 4.950 -0.021 -15.485 1.00 0.00 O ATOM 381 CB GLN A 24 3.195 1.654 -17.640 1.00 0.00 C ATOM 382 CG GLN A 24 4.417 2.527 -17.345 1.00 0.00 C ATOM 383 CD GLN A 24 5.498 2.279 -18.390 1.00 0.00 C ATOM 384 OE1 GLN A 24 5.194 2.108 -19.571 1.00 0.00 O ATOM 385 NE2 GLN A 24 6.752 2.248 -18.025 1.00 0.00 N ATOM 0 H GLN A 24 1.648 -0.169 -18.240 1.00 0.00 H new ATOM 0 HA GLN A 24 4.443 -0.061 -17.983 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.867 1.807 -18.668 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.366 1.943 -16.994 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.132 3.579 -17.347 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.803 2.303 -16.350 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.002 2.390 -17.046 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.481 2.082 -18.719 1.00 0.00 H new ATOM 394 N LYS A 25 2.741 -0.305 -15.170 1.00 0.00 N ATOM 395 CA LYS A 25 2.907 -0.551 -13.741 1.00 0.00 C ATOM 396 C LYS A 25 3.811 -1.754 -13.537 1.00 0.00 C ATOM 397 O LYS A 25 4.700 -1.724 -12.689 1.00 0.00 O ATOM 398 CB LYS A 25 1.557 -0.813 -13.068 1.00 0.00 C ATOM 399 CG LYS A 25 0.704 0.467 -13.057 1.00 0.00 C ATOM 400 CD LYS A 25 1.040 1.308 -11.824 1.00 0.00 C ATOM 401 CE LYS A 25 0.187 2.574 -11.829 1.00 0.00 C ATOM 402 NZ LYS A 25 0.489 3.372 -10.610 1.00 0.00 N ATOM 0 H LYS A 25 1.779 -0.341 -15.507 1.00 0.00 H new ATOM 0 HA LYS A 25 3.353 0.335 -13.289 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.028 -1.605 -13.597 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.714 -1.161 -12.047 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.888 1.045 -13.963 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.355 0.208 -13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.854 0.734 -10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.098 1.569 -11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.393 3.162 -12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.871 2.314 -11.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.090 4.236 -10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.272 2.808 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.496 3.630 -10.605 1.00 0.00 H new ATOM 416 N LEU A 26 3.600 -2.808 -14.327 1.00 0.00 N ATOM 417 CA LEU A 26 4.451 -3.994 -14.200 1.00 0.00 C ATOM 418 C LEU A 26 5.901 -3.636 -14.529 1.00 0.00 C ATOM 419 O LEU A 26 6.826 -4.051 -13.832 1.00 0.00 O ATOM 420 CB LEU A 26 3.968 -5.117 -15.142 1.00 0.00 C ATOM 421 CG LEU A 26 2.890 -5.977 -14.463 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.473 -6.709 -13.236 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.718 -5.091 -14.042 1.00 0.00 C ATOM 0 H LEU A 26 2.873 -2.867 -15.039 1.00 0.00 H new ATOM 0 HA LEU A 26 4.390 -4.350 -13.172 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.568 -4.682 -16.058 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.812 -5.744 -15.429 1.00 0.00 H new ATOM 0 HG LEU A 26 2.538 -6.726 -15.172 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.695 -7.313 -12.769 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.292 -7.355 -13.553 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.845 -5.977 -12.519 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.954 -5.702 -13.561 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.069 -4.332 -13.343 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.294 -4.607 -14.921 1.00 0.00 H new ATOM 435 N LEU A 27 6.094 -2.865 -15.591 1.00 0.00 N ATOM 436 CA LEU A 27 7.441 -2.458 -15.988 1.00 0.00 C ATOM 437 C LEU A 27 8.029 -1.457 -14.993 1.00 0.00 C ATOM 438 O LEU A 27 9.242 -1.419 -14.778 1.00 0.00 O ATOM 439 CB LEU A 27 7.407 -1.840 -17.383 1.00 0.00 C ATOM 440 CG LEU A 27 6.715 -2.802 -18.350 1.00 0.00 C ATOM 441 CD1 LEU A 27 6.548 -2.113 -19.701 1.00 0.00 C ATOM 442 CD2 LEU A 27 7.559 -4.076 -18.522 1.00 0.00 C ATOM 0 H LEU A 27 5.347 -2.511 -16.188 1.00 0.00 H new ATOM 0 HA LEU A 27 8.075 -3.344 -15.997 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.876 -0.888 -17.358 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.421 -1.631 -17.725 1.00 0.00 H new ATOM 0 HG LEU A 27 5.739 -3.078 -17.950 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.055 -2.792 -20.397 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.942 -1.215 -19.579 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.527 -1.839 -20.093 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.057 -4.754 -19.212 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.539 -3.812 -18.920 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.680 -4.566 -17.556 1.00 0.00 H new ATOM 454 N SER A 28 7.163 -0.637 -14.410 1.00 0.00 N ATOM 455 CA SER A 28 7.602 0.383 -13.457 1.00 0.00 C ATOM 456 C SER A 28 8.326 -0.242 -12.270 1.00 0.00 C ATOM 457 O SER A 28 9.366 0.255 -11.836 1.00 0.00 O ATOM 458 CB SER A 28 6.394 1.167 -12.951 1.00 0.00 C ATOM 459 OG SER A 28 5.781 1.844 -14.041 1.00 0.00 O ATOM 0 H SER A 28 6.157 -0.655 -14.577 1.00 0.00 H new ATOM 0 HA SER A 28 8.294 1.049 -13.972 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.680 0.492 -12.480 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.704 1.884 -12.191 1.00 0.00 H new ATOM 0 HG SER A 28 5.379 1.189 -14.649 1.00 0.00 H new ATOM 465 N LEU A 29 7.769 -1.330 -11.745 1.00 0.00 N ATOM 466 CA LEU A 29 8.362 -2.023 -10.596 1.00 0.00 C ATOM 467 C LEU A 29 8.736 -3.455 -10.976 1.00 0.00 C ATOM 468 O LEU A 29 8.421 -3.921 -12.070 1.00 0.00 O ATOM 469 CB LEU A 29 7.369 -2.031 -9.416 1.00 0.00 C ATOM 470 CG LEU A 29 5.931 -2.145 -9.938 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.786 -3.419 -10.775 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.965 -2.202 -8.750 1.00 0.00 C ATOM 0 H LEU A 29 6.909 -1.753 -12.094 1.00 0.00 H new ATOM 0 HA LEU A 29 9.266 -1.494 -10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.590 -2.866 -8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.480 -1.118 -8.831 1.00 0.00 H new ATOM 0 HG LEU A 29 5.700 -1.279 -10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.763 -3.497 -11.144 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.475 -3.380 -11.619 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.016 -4.288 -10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.942 -2.283 -9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.199 -3.069 -8.132 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.066 -1.294 -8.155 1.00 0.00 H new ATOM 484 N GLY A 30 9.412 -4.147 -10.061 1.00 0.00 N ATOM 485 CA GLY A 30 9.827 -5.527 -10.301 1.00 0.00 C ATOM 486 C GLY A 30 8.741 -6.503 -9.859 1.00 0.00 C ATOM 487 O GLY A 30 8.872 -7.715 -10.033 1.00 0.00 O ATOM 0 H GLY A 30 9.683 -3.776 -9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.040 -5.668 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.750 -5.733 -9.760 1.00 0.00 H new ATOM 491 N MET A 31 7.664 -5.965 -9.288 1.00 0.00 N ATOM 492 CA MET A 31 6.558 -6.798 -8.826 1.00 0.00 C ATOM 493 C MET A 31 5.904 -7.489 -10.011 1.00 0.00 C ATOM 494 O MET A 31 4.814 -7.112 -10.439 1.00 0.00 O ATOM 495 CB MET A 31 5.515 -5.939 -8.105 1.00 0.00 C ATOM 496 CG MET A 31 4.580 -6.842 -7.298 1.00 0.00 C ATOM 497 SD MET A 31 3.355 -5.823 -6.441 1.00 0.00 S ATOM 498 CE MET A 31 4.287 -5.593 -4.908 1.00 0.00 C ATOM 0 H MET A 31 7.535 -4.965 -9.136 1.00 0.00 H new ATOM 0 HA MET A 31 6.949 -7.545 -8.135 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.009 -5.226 -7.445 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.943 -5.359 -8.829 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.081 -7.551 -7.959 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.152 -7.426 -6.577 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.748 -4.908 -4.254 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.407 -6.554 -4.408 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.268 -5.178 -5.138 1.00 0.00 H new ATOM 508 N LEU A 32 6.584 -8.498 -10.546 1.00 0.00 N ATOM 509 CA LEU A 32 6.071 -9.236 -11.700 1.00 0.00 C ATOM 510 C LEU A 32 5.426 -10.552 -11.246 1.00 0.00 C ATOM 511 O LEU A 32 5.553 -10.932 -10.085 1.00 0.00 O ATOM 512 CB LEU A 32 7.246 -9.489 -12.682 1.00 0.00 C ATOM 513 CG LEU A 32 7.071 -8.650 -13.965 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.420 -7.188 -13.671 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.991 -9.181 -15.059 1.00 0.00 C ATOM 0 H LEU A 32 7.487 -8.824 -10.203 1.00 0.00 H new ATOM 0 HA LEU A 32 5.300 -8.657 -12.207 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.190 -9.235 -12.201 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.293 -10.548 -12.937 1.00 0.00 H new ATOM 0 HG LEU A 32 6.036 -8.719 -14.300 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.296 -6.595 -14.577 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.758 -6.805 -12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.454 -7.122 -13.332 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.863 -8.585 -15.963 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.027 -9.118 -14.726 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.741 -10.220 -15.272 1.00 0.00 H new ATOM 527 N PRO A 33 4.736 -11.244 -12.131 1.00 0.00 N ATOM 528 CA PRO A 33 4.071 -12.539 -11.791 1.00 0.00 C ATOM 529 C PRO A 33 5.009 -13.510 -11.082 1.00 0.00 C ATOM 530 O PRO A 33 6.073 -13.131 -10.597 1.00 0.00 O ATOM 531 CB PRO A 33 3.645 -13.104 -13.153 1.00 0.00 C ATOM 532 CG PRO A 33 3.491 -11.913 -14.035 1.00 0.00 C ATOM 533 CD PRO A 33 4.504 -10.875 -13.544 1.00 0.00 C ATOM 0 HA PRO A 33 3.240 -12.392 -11.101 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.394 -13.792 -13.546 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.711 -13.660 -13.075 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.678 -12.175 -15.077 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.476 -11.520 -13.982 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.427 -10.912 -14.123 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.113 -9.862 -13.633 1.00 0.00 H new ATOM 541 N GLY A 34 4.604 -14.776 -11.038 1.00 0.00 N ATOM 542 CA GLY A 34 5.404 -15.812 -10.394 1.00 0.00 C ATOM 543 C GLY A 34 4.890 -16.088 -8.986 1.00 0.00 C ATOM 544 O GLY A 34 5.481 -16.865 -8.237 1.00 0.00 O ATOM 0 H GLY A 34 3.728 -15.109 -11.440 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.369 -16.727 -10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.447 -15.500 -10.351 1.00 0.00 H new ATOM 548 N SER A 35 3.777 -15.443 -8.636 1.00 0.00 N ATOM 549 CA SER A 35 3.165 -15.614 -7.316 1.00 0.00 C ATOM 550 C SER A 35 1.650 -15.701 -7.446 1.00 0.00 C ATOM 551 O SER A 35 1.127 -16.066 -8.500 1.00 0.00 O ATOM 552 CB SER A 35 3.535 -14.442 -6.408 1.00 0.00 C ATOM 553 OG SER A 35 4.949 -14.308 -6.364 1.00 0.00 O ATOM 0 H SER A 35 3.280 -14.796 -9.248 1.00 0.00 H new ATOM 0 HA SER A 35 3.540 -16.539 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.083 -13.523 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.143 -14.607 -5.404 1.00 0.00 H new ATOM 0 HG SER A 35 5.188 -13.556 -5.783 1.00 0.00 H new ATOM 559 N SER A 36 0.946 -15.371 -6.366 1.00 0.00 N ATOM 560 CA SER A 36 -0.514 -15.418 -6.364 1.00 0.00 C ATOM 561 C SER A 36 -1.081 -14.318 -5.481 1.00 0.00 C ATOM 562 O SER A 36 -0.366 -13.725 -4.673 1.00 0.00 O ATOM 563 CB SER A 36 -0.991 -16.778 -5.848 1.00 0.00 C ATOM 564 OG SER A 36 -0.388 -17.036 -4.586 1.00 0.00 O ATOM 0 H SER A 36 1.361 -15.069 -5.484 1.00 0.00 H new ATOM 0 HA SER A 36 -0.865 -15.270 -7.385 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.077 -16.784 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.728 -17.562 -6.558 1.00 0.00 H new ATOM 0 HG SER A 36 -0.691 -17.905 -4.250 1.00 0.00 H new ATOM 570 N PHE A 37 -2.373 -14.045 -5.645 1.00 0.00 N ATOM 571 CA PHE A 37 -3.034 -13.005 -4.862 1.00 0.00 C ATOM 572 C PHE A 37 -4.424 -13.470 -4.433 1.00 0.00 C ATOM 573 O PHE A 37 -5.058 -14.283 -5.114 1.00 0.00 O ATOM 574 CB PHE A 37 -3.143 -11.723 -5.699 1.00 0.00 C ATOM 575 CG PHE A 37 -4.166 -11.905 -6.793 1.00 0.00 C ATOM 576 CD1 PHE A 37 -5.500 -11.585 -6.537 1.00 0.00 C ATOM 577 CD2 PHE A 37 -3.790 -12.392 -8.050 1.00 0.00 C ATOM 578 CE1 PHE A 37 -6.466 -11.752 -7.534 1.00 0.00 C ATOM 579 CE2 PHE A 37 -4.755 -12.559 -9.052 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.093 -12.238 -8.793 1.00 0.00 C ATOM 0 H PHE A 37 -2.980 -14.526 -6.309 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.444 -12.802 -3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.426 -10.886 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.174 -11.479 -6.134 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.787 -11.208 -5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.757 -12.639 -8.247 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.498 -11.506 -7.333 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.467 -12.935 -10.023 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.838 -12.365 -9.565 1.00 0.00 H new ATOM 590 N ASN A 38 -4.891 -12.950 -3.297 1.00 0.00 N ATOM 591 CA ASN A 38 -6.208 -13.307 -2.767 1.00 0.00 C ATOM 592 C ASN A 38 -7.174 -12.137 -2.910 1.00 0.00 C ATOM 593 O ASN A 38 -6.776 -10.970 -2.826 1.00 0.00 O ATOM 594 CB ASN A 38 -6.090 -13.693 -1.292 1.00 0.00 C ATOM 595 CG ASN A 38 -5.277 -14.975 -1.145 1.00 0.00 C ATOM 596 OD1 ASN A 38 -4.747 -15.256 -0.069 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.142 -15.775 -2.167 1.00 0.00 N ATOM 0 H ASN A 38 -4.376 -12.280 -2.726 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.591 -14.155 -3.335 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.614 -12.886 -0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.083 -13.833 -0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.598 -16.633 -2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.581 -15.543 -3.058 1.00 0.00 H new ATOM 604 N VAL A 39 -8.446 -12.456 -3.130 1.00 0.00 N ATOM 605 CA VAL A 39 -9.465 -11.425 -3.289 1.00 0.00 C ATOM 606 C VAL A 39 -10.027 -11.012 -1.932 1.00 0.00 C ATOM 607 O VAL A 39 -10.468 -11.852 -1.152 1.00 0.00 O ATOM 608 CB VAL A 39 -10.600 -11.951 -4.166 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.498 -10.788 -4.587 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.016 -12.624 -5.409 1.00 0.00 C ATOM 0 H VAL A 39 -8.793 -13.412 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.006 -10.556 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.187 -12.678 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.308 -11.162 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.915 -10.311 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.912 -10.061 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.826 -12.999 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.428 -11.900 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.377 -13.454 -5.107 1.00 0.00 H new ATOM 620 N VAL A 40 -10.014 -9.711 -1.659 1.00 0.00 N ATOM 621 CA VAL A 40 -10.539 -9.201 -0.398 1.00 0.00 C ATOM 622 C VAL A 40 -12.061 -9.338 -0.346 1.00 0.00 C ATOM 623 O VAL A 40 -12.629 -9.656 0.699 1.00 0.00 O ATOM 624 CB VAL A 40 -10.121 -7.730 -0.211 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.379 -6.931 -1.503 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.917 -7.106 0.943 1.00 0.00 C ATOM 0 H VAL A 40 -9.649 -8.996 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.121 -9.793 0.416 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.056 -7.697 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.079 -5.894 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.801 -7.363 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.440 -6.970 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.617 -6.066 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.982 -7.152 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.717 -7.657 1.862 1.00 0.00 H new ATOM 636 N ARG A 41 -12.710 -9.087 -1.475 1.00 0.00 N ATOM 637 CA ARG A 41 -14.161 -9.169 -1.549 1.00 0.00 C ATOM 638 C ARG A 41 -14.627 -8.993 -2.988 1.00 0.00 C ATOM 639 O ARG A 41 -13.859 -8.566 -3.850 1.00 0.00 O ATOM 640 CB ARG A 41 -14.785 -8.079 -0.669 1.00 0.00 C ATOM 641 CG ARG A 41 -14.402 -6.696 -1.210 1.00 0.00 C ATOM 642 CD ARG A 41 -14.950 -5.617 -0.276 1.00 0.00 C ATOM 643 NE ARG A 41 -14.291 -5.694 1.023 1.00 0.00 N ATOM 644 CZ ARG A 41 -14.647 -4.895 2.023 1.00 0.00 C ATOM 645 NH1 ARG A 41 -15.594 -4.014 1.849 1.00 0.00 N ATOM 646 NH2 ARG A 41 -14.050 -4.990 3.180 1.00 0.00 N ATOM 0 H ARG A 41 -12.255 -8.826 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.477 -10.150 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.870 -8.187 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.440 -8.186 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.318 -6.610 -1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.804 -6.562 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.792 -4.632 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.026 -5.743 -0.154 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.544 -6.373 1.166 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.061 -3.939 0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.867 -3.401 2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.310 -5.678 3.317 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.324 -4.376 3.947 1.00 0.00 H new ATOM 660 N VAL A 42 -15.893 -9.310 -3.242 1.00 0.00 N ATOM 661 CA VAL A 42 -16.464 -9.164 -4.581 1.00 0.00 C ATOM 662 C VAL A 42 -17.882 -8.608 -4.482 1.00 0.00 C ATOM 663 O VAL A 42 -18.765 -9.237 -3.902 1.00 0.00 O ATOM 664 CB VAL A 42 -16.478 -10.523 -5.290 1.00 0.00 C ATOM 665 CG1 VAL A 42 -15.038 -11.020 -5.458 1.00 0.00 C ATOM 666 CG2 VAL A 42 -17.278 -11.538 -4.459 1.00 0.00 C ATOM 0 H VAL A 42 -16.543 -9.669 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.853 -8.470 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.947 -10.415 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.043 -11.987 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.473 -10.303 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.572 -11.124 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.284 -12.501 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.816 -11.649 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.302 -11.184 -4.340 1.00 0.00 H new ATOM 676 N ALA A 43 -18.095 -7.416 -5.039 1.00 0.00 N ATOM 677 CA ALA A 43 -19.416 -6.786 -4.992 1.00 0.00 C ATOM 678 C ALA A 43 -20.221 -7.125 -6.262 1.00 0.00 C ATOM 679 O ALA A 43 -19.876 -6.656 -7.347 1.00 0.00 O ATOM 680 CB ALA A 43 -19.247 -5.265 -4.880 1.00 0.00 C ATOM 0 H ALA A 43 -17.380 -6.872 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.958 -7.164 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.228 -4.792 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.696 -5.026 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.697 -4.895 -5.745 1.00 0.00 H new ATOM 686 N PRO A 44 -21.277 -7.920 -6.170 1.00 0.00 N ATOM 687 CA PRO A 44 -22.101 -8.287 -7.360 1.00 0.00 C ATOM 688 C PRO A 44 -23.024 -7.150 -7.800 1.00 0.00 C ATOM 689 O PRO A 44 -23.630 -7.210 -8.869 1.00 0.00 O ATOM 690 CB PRO A 44 -22.893 -9.515 -6.899 1.00 0.00 C ATOM 691 CG PRO A 44 -23.034 -9.355 -5.417 1.00 0.00 C ATOM 692 CD PRO A 44 -21.812 -8.552 -4.940 1.00 0.00 C ATOM 0 HA PRO A 44 -21.486 -8.490 -8.236 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.868 -9.561 -7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.369 -10.438 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.959 -8.834 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.074 -10.327 -4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.094 -7.803 -4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.070 -9.199 -4.472 1.00 0.00 H new ATOM 700 N LEU A 45 -23.143 -6.133 -6.955 1.00 0.00 N ATOM 701 CA LEU A 45 -24.016 -5.001 -7.248 1.00 0.00 C ATOM 702 C LEU A 45 -23.609 -4.329 -8.556 1.00 0.00 C ATOM 703 O LEU A 45 -24.452 -3.778 -9.265 1.00 0.00 O ATOM 704 CB LEU A 45 -23.936 -3.983 -6.108 1.00 0.00 C ATOM 705 CG LEU A 45 -24.183 -4.684 -4.767 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.055 -3.662 -3.633 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.590 -5.301 -4.750 1.00 0.00 C ATOM 0 H LEU A 45 -22.649 -6.068 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.038 -5.368 -7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.957 -3.505 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.675 -3.196 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.447 -5.477 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.230 -4.156 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.053 -3.232 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.791 -2.870 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.758 -5.797 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -26.333 -4.516 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.678 -6.028 -5.557 1.00 0.00 H new ATOM 719 N GLY A 46 -22.318 -4.378 -8.878 1.00 0.00 N ATOM 720 CA GLY A 46 -21.813 -3.771 -10.114 1.00 0.00 C ATOM 721 C GLY A 46 -20.589 -2.908 -9.837 1.00 0.00 C ATOM 722 O GLY A 46 -20.293 -1.978 -10.587 1.00 0.00 O ATOM 0 H GLY A 46 -21.604 -4.828 -8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.557 -4.553 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.595 -3.164 -10.571 1.00 0.00 H new ATOM 726 N ASP A 47 -19.876 -3.220 -8.758 1.00 0.00 N ATOM 727 CA ASP A 47 -18.678 -2.466 -8.391 1.00 0.00 C ATOM 728 C ASP A 47 -17.430 -3.200 -8.892 1.00 0.00 C ATOM 729 O ASP A 47 -17.473 -4.399 -9.169 1.00 0.00 O ATOM 730 CB ASP A 47 -18.630 -2.301 -6.851 1.00 0.00 C ATOM 731 CG ASP A 47 -18.994 -0.873 -6.438 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.129 -0.484 -6.656 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.131 -0.195 -5.906 1.00 0.00 O ATOM 0 H ASP A 47 -20.104 -3.986 -8.124 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.707 -1.479 -8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.320 -3.005 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.632 -2.545 -6.487 1.00 0.00 H new ATOM 738 N PRO A 48 -16.329 -2.506 -9.008 1.00 0.00 N ATOM 739 CA PRO A 48 -15.044 -3.102 -9.484 1.00 0.00 C ATOM 740 C PRO A 48 -14.572 -4.234 -8.577 1.00 0.00 C ATOM 741 O PRO A 48 -15.145 -4.474 -7.516 1.00 0.00 O ATOM 742 CB PRO A 48 -14.056 -1.921 -9.466 1.00 0.00 C ATOM 743 CG PRO A 48 -14.673 -0.914 -8.543 1.00 0.00 C ATOM 744 CD PRO A 48 -16.180 -1.078 -8.697 1.00 0.00 C ATOM 0 HA PRO A 48 -15.141 -3.554 -10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.074 -2.233 -9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.917 -1.508 -10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.364 -1.088 -7.512 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.361 0.098 -8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.710 -0.807 -7.784 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.575 -0.448 -9.494 1.00 0.00 H new ATOM 752 N ILE A 49 -13.525 -4.932 -9.011 1.00 0.00 N ATOM 753 CA ILE A 49 -12.985 -6.048 -8.244 1.00 0.00 C ATOM 754 C ILE A 49 -11.798 -5.586 -7.410 1.00 0.00 C ATOM 755 O ILE A 49 -10.791 -5.123 -7.943 1.00 0.00 O ATOM 756 CB ILE A 49 -12.535 -7.160 -9.202 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.574 -7.305 -10.323 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.389 -8.488 -8.443 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.963 -7.573 -9.734 1.00 0.00 C ATOM 0 H ILE A 49 -13.036 -4.744 -9.886 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.760 -6.428 -7.579 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.567 -6.901 -9.631 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.597 -6.397 -10.926 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.290 -8.121 -10.987 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.069 -9.269 -9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.646 -8.376 -7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.348 -8.763 -8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.688 -7.673 -10.542 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.940 -8.494 -9.151 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.251 -6.743 -9.089 1.00 0.00 H new ATOM 771 N HIS A 50 -11.929 -5.718 -6.096 1.00 0.00 N ATOM 772 CA HIS A 50 -10.868 -5.315 -5.178 1.00 0.00 C ATOM 773 C HIS A 50 -10.105 -6.535 -4.694 1.00 0.00 C ATOM 774 O HIS A 50 -10.703 -7.521 -4.262 1.00 0.00 O ATOM 775 CB HIS A 50 -11.472 -4.581 -3.978 1.00 0.00 C ATOM 776 CG HIS A 50 -11.950 -3.222 -4.411 1.00 0.00 C ATOM 777 ND1 HIS A 50 -11.755 -2.089 -3.639 1.00 0.00 N ATOM 778 CD2 HIS A 50 -12.615 -2.800 -5.535 1.00 0.00 C ATOM 779 CE1 HIS A 50 -12.292 -1.048 -4.302 1.00 0.00 C ATOM 780 NE2 HIS A 50 -12.831 -1.426 -5.463 1.00 0.00 N ATOM 0 H HIS A 50 -12.758 -6.100 -5.641 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.182 -4.650 -5.703 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.301 -5.156 -3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.729 -4.482 -3.187 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -11.289 -2.050 -2.732 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.924 -3.436 -6.351 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.287 -0.031 -3.939 1.00 0.00 H new ATOM 788 N ILE A 51 -8.778 -6.465 -4.767 1.00 0.00 N ATOM 789 CA ILE A 51 -7.928 -7.570 -4.327 1.00 0.00 C ATOM 790 C ILE A 51 -6.883 -7.077 -3.338 1.00 0.00 C ATOM 791 O ILE A 51 -6.437 -5.925 -3.408 1.00 0.00 O ATOM 792 CB ILE A 51 -7.233 -8.227 -5.527 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.434 -7.176 -6.325 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.290 -8.867 -6.434 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.337 -7.870 -7.141 1.00 0.00 C ATOM 0 H ILE A 51 -8.268 -5.657 -5.126 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.561 -8.309 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.544 -8.990 -5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.101 -6.625 -6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.990 -6.449 -5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.801 -9.335 -7.288 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.842 -9.621 -5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.980 -8.100 -6.786 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.775 -7.124 -7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.664 -8.401 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.792 -8.579 -7.833 1.00 0.00 H new ATOM 807 N GLU A 52 -6.485 -7.962 -2.423 1.00 0.00 N ATOM 808 CA GLU A 52 -5.480 -7.621 -1.418 1.00 0.00 C ATOM 809 C GLU A 52 -4.521 -8.783 -1.226 1.00 0.00 C ATOM 810 O GLU A 52 -4.917 -9.947 -1.304 1.00 0.00 O ATOM 811 CB GLU A 52 -6.155 -7.283 -0.087 1.00 0.00 C ATOM 812 CG GLU A 52 -6.975 -5.999 -0.246 1.00 0.00 C ATOM 813 CD GLU A 52 -7.720 -5.685 1.047 1.00 0.00 C ATOM 814 OE1 GLU A 52 -7.563 -6.437 1.996 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.437 -4.698 1.071 1.00 0.00 O ATOM 0 H GLU A 52 -6.842 -8.915 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.923 -6.750 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.801 -8.104 0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.404 -7.154 0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.318 -5.169 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.685 -6.112 -1.065 1.00 0.00 H new ATOM 822 N THR A 53 -3.254 -8.459 -0.984 1.00 0.00 N ATOM 823 CA THR A 53 -2.223 -9.480 -0.790 1.00 0.00 C ATOM 824 C THR A 53 -1.398 -9.142 0.446 1.00 0.00 C ATOM 825 O THR A 53 -1.574 -8.073 1.036 1.00 0.00 O ATOM 826 CB THR A 53 -1.315 -9.549 -2.023 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.223 -8.666 -1.837 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.104 -9.144 -3.277 1.00 0.00 C ATOM 0 H THR A 53 -2.914 -7.499 -0.917 1.00 0.00 H new ATOM 0 HA THR A 53 -2.700 -10.450 -0.650 1.00 0.00 H new ATOM 0 HB THR A 53 -0.949 -10.567 -2.153 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.616 -9.172 -1.864 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.452 -9.195 -4.149 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.946 -9.823 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.475 -8.126 -3.161 1.00 0.00 H new ATOM 836 N ARG A 54 -0.507 -10.057 0.835 1.00 0.00 N ATOM 837 CA ARG A 54 0.322 -9.871 2.031 1.00 0.00 C ATOM 838 C ARG A 54 0.679 -8.404 2.250 1.00 0.00 C ATOM 839 O ARG A 54 0.451 -7.865 3.333 1.00 0.00 O ATOM 840 CB ARG A 54 1.620 -10.670 1.885 1.00 0.00 C ATOM 841 CG ARG A 54 1.320 -12.167 1.950 1.00 0.00 C ATOM 842 CD ARG A 54 2.621 -12.951 1.759 1.00 0.00 C ATOM 843 NE ARG A 54 2.361 -14.385 1.820 1.00 0.00 N ATOM 844 CZ ARG A 54 3.322 -15.270 1.571 1.00 0.00 C ATOM 845 NH1 ARG A 54 4.526 -14.863 1.272 1.00 0.00 N ATOM 846 NH2 ARG A 54 3.061 -16.546 1.627 1.00 0.00 N ATOM 0 H ARG A 54 -0.340 -10.934 0.341 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.255 -10.220 2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.102 -10.428 0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.317 -10.395 2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.868 -12.418 2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.601 -12.440 1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.070 -12.696 0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.339 -12.671 2.530 1.00 0.00 H new ATOM 0 HE ARG A 54 1.426 -14.715 2.058 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.731 -13.865 1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.262 -15.543 1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.121 -16.864 1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.797 -17.226 1.436 1.00 0.00 H new ATOM 860 N ARG A 55 1.217 -7.756 1.228 1.00 0.00 N ATOM 861 CA ARG A 55 1.568 -6.341 1.346 1.00 0.00 C ATOM 862 C ARG A 55 1.282 -5.621 0.032 1.00 0.00 C ATOM 863 O ARG A 55 1.985 -4.681 -0.337 1.00 0.00 O ATOM 864 CB ARG A 55 3.049 -6.200 1.721 1.00 0.00 C ATOM 865 CG ARG A 55 3.314 -4.804 2.303 1.00 0.00 C ATOM 866 CD ARG A 55 4.796 -4.670 2.643 1.00 0.00 C ATOM 867 NE ARG A 55 5.141 -5.557 3.746 1.00 0.00 N ATOM 868 CZ ARG A 55 6.394 -5.658 4.171 1.00 0.00 C ATOM 869 NH1 ARG A 55 7.334 -4.967 3.589 1.00 0.00 N ATOM 870 NH2 ARG A 55 6.683 -6.450 5.167 1.00 0.00 N ATOM 0 H ARG A 55 1.419 -8.175 0.320 1.00 0.00 H new ATOM 0 HA ARG A 55 0.963 -5.887 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.322 -6.964 2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.672 -6.360 0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.023 -4.037 1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.709 -4.649 3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.401 -4.912 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.023 -3.638 2.912 1.00 0.00 H new ATOM 0 HE ARG A 55 4.410 -6.107 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.105 -4.351 2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.298 -5.043 3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.946 -6.991 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.646 -6.528 5.494 1.00 0.00 H new ATOM 884 N VAL A 56 0.251 -6.068 -0.689 1.00 0.00 N ATOM 885 CA VAL A 56 -0.089 -5.433 -1.974 1.00 0.00 C ATOM 886 C VAL A 56 -1.599 -5.350 -2.154 1.00 0.00 C ATOM 887 O VAL A 56 -2.323 -6.287 -1.828 1.00 0.00 O ATOM 888 CB VAL A 56 0.536 -6.216 -3.143 1.00 0.00 C ATOM 889 CG1 VAL A 56 0.660 -5.314 -4.374 1.00 0.00 C ATOM 890 CG2 VAL A 56 1.922 -6.714 -2.731 1.00 0.00 C ATOM 0 H VAL A 56 -0.351 -6.846 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 56 0.316 -4.421 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.103 -7.064 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.103 -5.878 -5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.329 -4.962 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.294 -4.460 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.369 -7.269 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.555 -5.863 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.831 -7.366 -1.862 1.00 0.00 H new ATOM 900 N SER A 57 -2.068 -4.220 -2.679 1.00 0.00 N ATOM 901 CA SER A 57 -3.500 -4.020 -2.910 1.00 0.00 C ATOM 902 C SER A 57 -3.734 -3.360 -4.264 1.00 0.00 C ATOM 903 O SER A 57 -2.960 -2.503 -4.690 1.00 0.00 O ATOM 904 CB SER A 57 -4.089 -3.147 -1.803 1.00 0.00 C ATOM 905 OG SER A 57 -4.008 -3.842 -0.566 1.00 0.00 O ATOM 0 H SER A 57 -1.482 -3.431 -2.952 1.00 0.00 H new ATOM 0 HA SER A 57 -3.992 -4.993 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.546 -2.204 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.127 -2.903 -2.029 1.00 0.00 H new ATOM 0 HG SER A 57 -4.383 -3.285 0.147 1.00 0.00 H new ATOM 911 N LEU A 58 -4.808 -3.768 -4.932 1.00 0.00 N ATOM 912 CA LEU A 58 -5.135 -3.209 -6.241 1.00 0.00 C ATOM 913 C LEU A 58 -6.596 -3.482 -6.580 1.00 0.00 C ATOM 914 O LEU A 58 -7.175 -4.466 -6.120 1.00 0.00 O ATOM 915 CB LEU A 58 -4.223 -3.823 -7.314 1.00 0.00 C ATOM 916 CG LEU A 58 -4.515 -3.208 -8.693 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.227 -1.698 -8.688 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.630 -3.887 -9.741 1.00 0.00 C ATOM 0 H LEU A 58 -5.461 -4.475 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.977 -2.131 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.179 -3.656 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.374 -4.902 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.568 -3.361 -8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.440 -1.284 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.857 -1.210 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.179 -1.528 -8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.831 -3.456 -10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.581 -3.734 -9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.846 -4.955 -9.763 1.00 0.00 H new ATOM 930 N VAL A 59 -7.183 -2.609 -7.397 1.00 0.00 N ATOM 931 CA VAL A 59 -8.576 -2.762 -7.816 1.00 0.00 C ATOM 932 C VAL A 59 -8.645 -2.827 -9.335 1.00 0.00 C ATOM 933 O VAL A 59 -8.086 -1.978 -10.029 1.00 0.00 O ATOM 934 CB VAL A 59 -9.417 -1.582 -7.310 1.00 0.00 C ATOM 935 CG1 VAL A 59 -8.775 -0.264 -7.742 1.00 0.00 C ATOM 936 CG2 VAL A 59 -10.830 -1.672 -7.893 1.00 0.00 C ATOM 0 H VAL A 59 -6.716 -1.788 -7.782 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.974 -3.684 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.467 -1.620 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.377 0.570 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.770 -0.195 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.720 -0.226 -8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.426 -0.834 -7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.777 -1.639 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.294 -2.608 -7.580 1.00 0.00 H new ATOM 946 N LEU A 60 -9.326 -3.849 -9.844 1.00 0.00 N ATOM 947 CA LEU A 60 -9.462 -4.040 -11.287 1.00 0.00 C ATOM 948 C LEU A 60 -10.896 -4.423 -11.639 1.00 0.00 C ATOM 949 O LEU A 60 -11.660 -4.855 -10.777 1.00 0.00 O ATOM 950 CB LEU A 60 -8.509 -5.145 -11.750 1.00 0.00 C ATOM 951 CG LEU A 60 -7.050 -4.728 -11.521 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.130 -5.925 -11.803 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.674 -3.562 -12.456 1.00 0.00 C ATOM 0 H LEU A 60 -9.793 -4.559 -9.280 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.213 -3.106 -11.790 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.720 -6.066 -11.207 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.672 -5.354 -12.807 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.931 -4.404 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.092 -5.632 -11.641 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.384 -6.745 -11.132 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.259 -6.248 -12.836 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.636 -3.277 -12.283 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.796 -3.874 -13.493 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.323 -2.710 -12.254 1.00 0.00 H new ATOM 965 N ARG A 61 -11.256 -4.258 -12.909 1.00 0.00 N ATOM 966 CA ARG A 61 -12.602 -4.590 -13.366 1.00 0.00 C ATOM 967 C ARG A 61 -12.703 -6.069 -13.724 1.00 0.00 C ATOM 968 O ARG A 61 -11.692 -6.742 -13.918 1.00 0.00 O ATOM 969 CB ARG A 61 -12.965 -3.742 -14.576 1.00 0.00 C ATOM 970 CG ARG A 61 -13.164 -2.296 -14.125 1.00 0.00 C ATOM 971 CD ARG A 61 -13.524 -1.448 -15.334 1.00 0.00 C ATOM 972 NE ARG A 61 -13.718 -0.055 -14.938 1.00 0.00 N ATOM 973 CZ ARG A 61 -12.697 0.795 -14.879 1.00 0.00 C ATOM 974 NH1 ARG A 61 -11.491 0.392 -15.173 1.00 0.00 N ATOM 975 NH2 ARG A 61 -12.903 2.033 -14.525 1.00 0.00 N ATOM 0 H ARG A 61 -10.638 -3.898 -13.636 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.300 -4.381 -12.555 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.176 -3.798 -15.326 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.875 -4.120 -15.042 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.954 -2.240 -13.377 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.255 -1.919 -13.657 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.733 -1.514 -16.081 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.433 -1.831 -15.798 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.655 0.272 -14.702 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.330 -0.577 -15.449 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.709 1.046 -15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.845 2.347 -14.294 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.122 2.687 -14.479 1.00 0.00 H new ATOM 989 N LYS A 62 -13.929 -6.570 -13.805 1.00 0.00 N ATOM 990 CA LYS A 62 -14.149 -7.973 -14.135 1.00 0.00 C ATOM 991 C LYS A 62 -13.522 -8.312 -15.484 1.00 0.00 C ATOM 992 O LYS A 62 -12.973 -9.400 -15.669 1.00 0.00 O ATOM 993 CB LYS A 62 -15.653 -8.262 -14.176 1.00 0.00 C ATOM 994 CG LYS A 62 -16.296 -7.461 -15.313 1.00 0.00 C ATOM 995 CD LYS A 62 -17.824 -7.568 -15.230 1.00 0.00 C ATOM 996 CE LYS A 62 -18.271 -9.000 -15.540 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.732 -9.006 -15.831 1.00 0.00 N ATOM 0 H LYS A 62 -14.781 -6.031 -13.648 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.679 -8.590 -13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.825 -9.328 -14.325 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -16.112 -7.995 -13.224 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.992 -6.416 -15.250 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.948 -7.836 -16.275 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -18.163 -7.281 -14.234 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -18.283 -6.875 -15.935 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.717 -9.390 -16.394 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -18.054 -9.652 -14.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -20.040 -9.977 -16.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -20.252 -8.650 -15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.925 -8.396 -16.651 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.604 -7.373 -16.422 1.00 0.00 N ATOM 1012 CA LYS A 63 -13.039 -7.584 -17.748 1.00 0.00 C ATOM 1013 C LYS A 63 -11.532 -7.792 -17.660 1.00 0.00 C ATOM 1014 O LYS A 63 -10.970 -8.644 -18.350 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.331 -6.378 -18.644 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.834 -6.300 -18.925 1.00 0.00 C ATOM 1017 CD LYS A 63 -15.121 -5.193 -19.949 1.00 0.00 C ATOM 1018 CE LYS A 63 -14.851 -3.815 -19.336 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.482 -2.767 -20.187 1.00 0.00 N ATOM 0 H LYS A 63 -14.052 -6.467 -16.289 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.498 -8.475 -18.176 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.993 -5.462 -18.160 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.780 -6.466 -19.580 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.192 -7.258 -19.303 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.375 -6.100 -18.000 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.497 -5.334 -20.831 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.158 -5.254 -20.279 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.253 -3.769 -18.324 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.778 -3.641 -19.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.301 -1.830 -19.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.078 -2.808 -21.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.508 -2.931 -20.237 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.880 -7.007 -16.809 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.438 -7.115 -16.648 1.00 0.00 C ATOM 1035 C ASP A 64 -9.060 -8.517 -16.182 1.00 0.00 C ATOM 1036 O ASP A 64 -8.145 -9.128 -16.721 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.956 -6.087 -15.626 1.00 0.00 C ATOM 1038 CG ASP A 64 -9.012 -4.684 -16.222 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -9.105 -4.578 -17.433 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.960 -3.735 -15.457 1.00 0.00 O ATOM 0 H ASP A 64 -11.323 -6.297 -16.226 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.962 -6.923 -17.610 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.577 -6.135 -14.731 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.936 -6.319 -15.319 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.785 -9.027 -15.192 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.518 -10.368 -14.677 1.00 0.00 C ATOM 1047 C LEU A 65 -9.729 -11.407 -15.774 1.00 0.00 C ATOM 1048 O LEU A 65 -8.950 -12.352 -15.900 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.446 -10.662 -13.481 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.802 -10.182 -12.173 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.407 -8.707 -12.290 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.792 -10.346 -11.035 1.00 0.00 C ATOM 0 H LEU A 65 -10.555 -8.539 -14.733 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.481 -10.420 -14.344 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.405 -10.164 -13.626 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.648 -11.732 -13.423 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.910 -10.776 -11.977 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.951 -8.377 -11.356 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.694 -8.585 -13.105 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.295 -8.108 -12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.337 -10.006 -10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.684 -9.754 -11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.068 -11.396 -10.941 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.778 -11.228 -16.563 1.00 0.00 N ATOM 1065 CA ALA A 66 -11.064 -12.164 -17.640 1.00 0.00 C ATOM 1066 C ALA A 66 -9.877 -12.250 -18.595 1.00 0.00 C ATOM 1067 O ALA A 66 -9.448 -13.343 -18.966 1.00 0.00 O ATOM 1068 CB ALA A 66 -12.309 -11.715 -18.407 1.00 0.00 C ATOM 0 H ALA A 66 -11.437 -10.454 -16.480 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.243 -13.148 -17.207 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.515 -12.421 -19.211 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.161 -11.679 -17.728 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.139 -10.725 -18.829 1.00 0.00 H new ATOM 1074 N LEU A 67 -9.350 -11.095 -18.993 1.00 0.00 N ATOM 1075 CA LEU A 67 -8.210 -11.068 -19.908 1.00 0.00 C ATOM 1076 C LEU A 67 -6.907 -11.427 -19.186 1.00 0.00 C ATOM 1077 O LEU A 67 -6.169 -12.309 -19.624 1.00 0.00 O ATOM 1078 CB LEU A 67 -8.080 -9.665 -20.536 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.954 -9.561 -21.790 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -10.421 -9.769 -21.414 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.775 -8.175 -22.412 1.00 0.00 C ATOM 0 H LEU A 67 -9.687 -10.177 -18.702 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.385 -11.810 -20.687 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.378 -8.906 -19.813 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.039 -9.469 -20.793 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.657 -10.326 -22.507 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -11.040 -9.694 -22.308 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.546 -10.756 -20.968 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.725 -9.006 -20.698 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.394 -8.094 -23.305 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.074 -7.412 -21.693 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.729 -8.030 -22.682 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.628 -10.732 -18.082 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.400 -10.972 -17.325 1.00 0.00 C ATOM 1095 C LEU A 68 -5.138 -12.468 -17.194 1.00 0.00 C ATOM 1096 O LEU A 68 -6.020 -13.227 -16.795 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.513 -10.344 -15.926 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.115 -10.205 -15.284 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.476 -8.871 -15.699 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.241 -10.245 -13.757 1.00 0.00 C ATOM 0 H LEU A 68 -7.230 -10.005 -17.695 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.569 -10.514 -17.861 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.987 -9.365 -15.997 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.151 -10.961 -15.294 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.489 -11.030 -15.624 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.491 -8.782 -15.242 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.377 -8.837 -16.784 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.106 -8.046 -15.366 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.253 -10.147 -13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.875 -9.424 -13.423 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.685 -11.193 -13.453 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.926 -12.885 -17.547 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.578 -14.299 -17.475 1.00 0.00 C ATOM 1114 C GLU A 69 -3.468 -14.742 -16.019 1.00 0.00 C ATOM 1115 O GLU A 69 -2.533 -14.361 -15.309 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.253 -14.552 -18.198 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.374 -14.125 -19.663 1.00 0.00 C ATOM 1118 CD GLU A 69 -3.393 -15.000 -20.385 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -3.679 -16.076 -19.886 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -3.869 -14.583 -21.427 1.00 0.00 O ATOM 0 H GLU A 69 -3.180 -12.275 -17.881 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.364 -14.877 -17.961 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.451 -13.996 -17.712 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.991 -15.608 -18.138 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.676 -13.079 -19.721 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.404 -14.204 -20.154 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.432 -15.552 -15.583 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.452 -16.055 -14.209 1.00 0.00 C ATOM 1129 C VAL A 70 -4.834 -17.526 -14.185 1.00 0.00 C ATOM 1130 O VAL A 70 -5.438 -18.039 -15.128 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.460 -15.258 -13.376 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.999 -13.805 -13.249 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.825 -15.296 -14.063 1.00 0.00 C ATOM 0 H VAL A 70 -5.209 -15.874 -16.160 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.454 -15.940 -13.786 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.533 -15.700 -12.382 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.721 -13.245 -12.655 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.025 -13.774 -12.760 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.922 -13.360 -14.241 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.545 -14.730 -13.473 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.744 -14.856 -15.057 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.160 -16.330 -14.150 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.485 -18.202 -13.093 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.801 -19.622 -12.936 1.00 0.00 C ATOM 1145 C GLU A 71 -5.201 -19.923 -11.502 1.00 0.00 C ATOM 1146 O GLU A 71 -4.454 -19.637 -10.566 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.593 -20.479 -13.314 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.363 -20.398 -14.826 1.00 0.00 C ATOM 1149 CD GLU A 71 -2.109 -21.175 -15.213 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -1.493 -21.749 -14.330 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -1.783 -21.185 -16.389 1.00 0.00 O ATOM 0 H GLU A 71 -3.984 -17.792 -12.305 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.634 -19.859 -13.597 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.707 -20.133 -12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.760 -21.514 -13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.227 -20.802 -15.354 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.262 -19.356 -15.130 1.00 0.00 H new ATOM 1158 N ALA A 72 -6.381 -20.507 -11.335 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.861 -20.844 -10.006 1.00 0.00 C ATOM 1160 C ALA A 72 -5.960 -21.901 -9.383 1.00 0.00 C ATOM 1161 O ALA A 72 -5.636 -22.905 -10.016 1.00 0.00 O ATOM 1162 CB ALA A 72 -8.294 -21.373 -10.087 1.00 0.00 C ATOM 0 H ALA A 72 -7.015 -20.754 -12.095 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.845 -19.947 -9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.647 -21.623 -9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.940 -20.609 -10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.318 -22.264 -10.714 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.561 -21.671 -8.135 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.695 -22.611 -7.423 1.00 0.00 C ATOM 1170 C VAL A 73 -5.208 -22.837 -6.003 1.00 0.00 C ATOM 1171 O VAL A 73 -5.973 -22.028 -5.476 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.264 -22.071 -7.372 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.646 -22.110 -8.771 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -3.278 -20.626 -6.874 1.00 0.00 C ATOM 0 H VAL A 73 -5.822 -20.845 -7.596 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.703 -23.561 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.675 -22.689 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.627 -21.725 -8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.631 -23.138 -9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.239 -21.495 -9.448 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.258 -20.244 -6.838 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.872 -20.013 -7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.714 -20.589 -5.876 1.00 0.00 H new