USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0811 (180deg=-0.000871) USER MOD Single : A 5 SER OG : rot -16:sc= 0.856 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= -0.448 (180deg=-1.53!) USER MOD Single : A 10 GLN : amide:sc= -0.014 K(o=-0.014,f=-0.55) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.25) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc=-0.00818 (180deg=-0.129) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -80:sc= -0.452 USER MOD Single : A 42 SER OG : rot -139:sc= 0.829 USER MOD Single : A 43 SER OG : rot -46:sc= -0.018 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.4 F(o=-1!,f=-0.4) USER MOD Single : A 47 GLN : amide:sc=-0.00936 K(o=-0.0094,f=-0.97) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 1.78 (180deg=1.67) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= 0.0958 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= -1.47! (180deg=-1.79!) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.0423 (180deg=-0.339) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.572 X(o=-0.57,f=-1) USER MOD Single : A 73 SER OG : rot -10:sc= 0.00199 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.425 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.0572 (180deg=-0.404) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.515 12.273 -8.420 1.00 0.00 N ATOM 2 CA MET A 1 3.121 13.487 -7.682 1.00 0.00 C ATOM 3 C MET A 1 3.927 13.612 -6.409 1.00 0.00 C ATOM 4 O MET A 1 4.505 12.634 -5.931 1.00 0.00 O ATOM 5 CB MET A 1 1.628 13.465 -7.332 1.00 0.00 C ATOM 6 CG MET A 1 0.695 13.525 -8.525 1.00 0.00 C ATOM 7 SD MET A 1 -1.038 13.612 -8.028 1.00 0.00 S ATOM 8 CE MET A 1 -1.850 13.611 -9.624 1.00 0.00 C ATOM 0 H1 MET A 1 3.887 12.540 -9.354 1.00 0.00 H new ATOM 0 H2 MET A 1 4.250 11.766 -7.887 1.00 0.00 H new ATOM 0 H3 MET A 1 2.687 11.656 -8.541 1.00 0.00 H new ATOM 0 HA MET A 1 3.317 14.343 -8.328 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.415 12.558 -6.767 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.411 14.308 -6.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.941 14.395 -9.134 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.849 12.645 -9.150 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.930 13.661 -9.483 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.519 14.474 -10.201 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.596 12.697 -10.161 1.00 0.00 H new ATOM 18 N ALA A 2 3.959 14.812 -5.863 1.00 0.00 N ATOM 19 CA ALA A 2 4.672 15.080 -4.632 1.00 0.00 C ATOM 20 C ALA A 2 4.048 16.264 -3.916 1.00 0.00 C ATOM 21 O ALA A 2 3.628 16.151 -2.761 1.00 0.00 O ATOM 22 CB ALA A 2 6.147 15.343 -4.915 1.00 0.00 C ATOM 0 H ALA A 2 3.492 15.627 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 2 4.599 14.204 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.667 15.543 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.587 14.469 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.243 16.206 -5.574 1.00 0.00 H new ATOM 28 N ALA A 3 3.972 17.397 -4.630 1.00 0.00 N ATOM 29 CA ALA A 3 3.418 18.643 -4.097 1.00 0.00 C ATOM 30 C ALA A 3 4.240 19.134 -2.904 1.00 0.00 C ATOM 31 O ALA A 3 4.014 18.709 -1.764 1.00 0.00 O ATOM 32 CB ALA A 3 1.944 18.481 -3.730 1.00 0.00 C ATOM 0 H ALA A 3 4.295 17.471 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 3 3.477 19.401 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.561 19.423 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.377 18.201 -4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.841 17.704 -2.973 1.00 0.00 H new ATOM 38 N PRO A 4 5.221 20.029 -3.172 1.00 0.00 N ATOM 39 CA PRO A 4 6.155 20.559 -2.157 1.00 0.00 C ATOM 40 C PRO A 4 5.480 21.033 -0.868 1.00 0.00 C ATOM 41 O PRO A 4 5.008 22.172 -0.768 1.00 0.00 O ATOM 42 CB PRO A 4 6.826 21.728 -2.872 1.00 0.00 C ATOM 43 CG PRO A 4 6.789 21.348 -4.307 1.00 0.00 C ATOM 44 CD PRO A 4 5.499 20.598 -4.507 1.00 0.00 C ATOM 0 HA PRO A 4 6.841 19.783 -1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.294 22.662 -2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.849 21.873 -2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.830 22.231 -4.945 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.646 20.727 -4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.697 21.259 -4.837 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.601 19.819 -5.262 1.00 0.00 H new ATOM 52 N SER A 5 5.421 20.132 0.093 1.00 0.00 N ATOM 53 CA SER A 5 4.868 20.377 1.412 1.00 0.00 C ATOM 54 C SER A 5 5.363 19.273 2.326 1.00 0.00 C ATOM 55 O SER A 5 5.805 18.225 1.841 1.00 0.00 O ATOM 56 CB SER A 5 3.332 20.369 1.382 1.00 0.00 C ATOM 57 OG SER A 5 2.822 21.305 0.448 1.00 0.00 O ATOM 0 H SER A 5 5.767 19.180 -0.026 1.00 0.00 H new ATOM 0 HA SER A 5 5.186 21.358 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.978 19.370 1.127 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.947 20.599 2.375 1.00 0.00 H new ATOM 0 HG SER A 5 3.526 21.942 0.206 1.00 0.00 H new ATOM 63 N MET A 6 5.298 19.482 3.618 1.00 0.00 N ATOM 64 CA MET A 6 5.773 18.481 4.553 1.00 0.00 C ATOM 65 C MET A 6 4.773 17.336 4.696 1.00 0.00 C ATOM 66 O MET A 6 3.868 17.384 5.532 1.00 0.00 O ATOM 67 CB MET A 6 6.079 19.097 5.918 1.00 0.00 C ATOM 68 CG MET A 6 6.733 18.123 6.882 1.00 0.00 C ATOM 69 SD MET A 6 8.293 17.483 6.248 1.00 0.00 S ATOM 70 CE MET A 6 8.721 16.307 7.524 1.00 0.00 C ATOM 0 H MET A 6 4.924 20.328 4.048 1.00 0.00 H new ATOM 0 HA MET A 6 6.700 18.074 4.148 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.733 19.958 5.782 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.153 19.467 6.358 1.00 0.00 H new ATOM 0 HG2 MET A 6 6.907 18.620 7.836 1.00 0.00 H new ATOM 0 HG3 MET A 6 6.053 17.293 7.075 1.00 0.00 H new ATOM 0 HE1 MET A 6 9.667 15.827 7.274 1.00 0.00 H new ATOM 0 HE2 MET A 6 8.818 16.825 8.478 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.939 15.551 7.600 1.00 0.00 H new ATOM 80 N LYS A 7 4.920 16.331 3.853 1.00 0.00 N ATOM 81 CA LYS A 7 4.077 15.150 3.908 1.00 0.00 C ATOM 82 C LYS A 7 4.706 14.103 4.813 1.00 0.00 C ATOM 83 O LYS A 7 5.830 14.279 5.290 1.00 0.00 O ATOM 84 CB LYS A 7 3.869 14.552 2.512 1.00 0.00 C ATOM 85 CG LYS A 7 2.613 15.022 1.781 1.00 0.00 C ATOM 86 CD LYS A 7 2.748 16.426 1.216 1.00 0.00 C ATOM 87 CE LYS A 7 1.596 16.726 0.265 1.00 0.00 C ATOM 88 NZ LYS A 7 1.685 18.078 -0.335 1.00 0.00 N ATOM 0 H LYS A 7 5.623 16.309 3.114 1.00 0.00 H new ATOM 0 HA LYS A 7 3.108 15.450 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.738 14.792 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.832 13.466 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.390 14.329 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.767 14.992 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.757 17.153 2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.698 16.524 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.584 15.981 -0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.653 16.634 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.016 18.151 -1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.450 18.793 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.652 18.241 -0.682 1.00 0.00 H new ATOM 102 N GLU A 8 3.989 13.015 5.038 1.00 0.00 N ATOM 103 CA GLU A 8 4.487 11.940 5.871 1.00 0.00 C ATOM 104 C GLU A 8 5.645 11.222 5.184 1.00 0.00 C ATOM 105 O GLU A 8 5.501 10.715 4.063 1.00 0.00 O ATOM 106 CB GLU A 8 3.369 10.952 6.209 1.00 0.00 C ATOM 107 CG GLU A 8 3.806 9.840 7.149 1.00 0.00 C ATOM 108 CD GLU A 8 4.471 10.376 8.398 1.00 0.00 C ATOM 109 OE1 GLU A 8 3.755 10.763 9.335 1.00 0.00 O ATOM 110 OE2 GLU A 8 5.715 10.425 8.438 1.00 0.00 O ATOM 0 H GLU A 8 3.058 12.855 4.653 1.00 0.00 H new ATOM 0 HA GLU A 8 4.853 12.373 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.540 11.495 6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.994 10.510 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.939 9.242 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.496 9.176 6.628 1.00 0.00 H new ATOM 117 N ARG A 9 6.782 11.177 5.866 1.00 0.00 N ATOM 118 CA ARG A 9 7.987 10.557 5.338 1.00 0.00 C ATOM 119 C ARG A 9 7.765 9.078 5.026 1.00 0.00 C ATOM 120 O ARG A 9 8.164 8.597 3.977 1.00 0.00 O ATOM 121 CB ARG A 9 9.161 10.726 6.323 1.00 0.00 C ATOM 122 CG ARG A 9 8.950 10.060 7.681 1.00 0.00 C ATOM 123 CD ARG A 9 10.183 10.179 8.562 1.00 0.00 C ATOM 124 NE ARG A 9 10.436 11.559 8.979 1.00 0.00 N ATOM 125 CZ ARG A 9 11.642 12.134 8.999 1.00 0.00 C ATOM 126 NH1 ARG A 9 12.712 11.468 8.572 1.00 0.00 N ATOM 127 NH2 ARG A 9 11.773 13.383 9.439 1.00 0.00 N ATOM 0 H ARG A 9 6.893 11.570 6.801 1.00 0.00 H new ATOM 0 HA ARG A 9 8.235 11.063 4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.062 10.316 5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.338 11.790 6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.098 10.519 8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.706 9.008 7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.058 9.552 9.445 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.051 9.800 8.022 1.00 0.00 H new ATOM 0 HE ARG A 9 9.637 12.120 9.275 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.614 10.513 8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.630 11.912 8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.954 13.899 9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.693 13.824 9.455 1.00 0.00 H new ATOM 141 N GLN A 10 7.098 8.374 5.927 1.00 0.00 N ATOM 142 CA GLN A 10 6.866 6.945 5.761 1.00 0.00 C ATOM 143 C GLN A 10 6.006 6.655 4.536 1.00 0.00 C ATOM 144 O GLN A 10 6.305 5.758 3.758 1.00 0.00 O ATOM 145 CB GLN A 10 6.206 6.362 7.018 1.00 0.00 C ATOM 146 CG GLN A 10 5.838 4.883 6.904 1.00 0.00 C ATOM 147 CD GLN A 10 7.036 3.991 6.624 1.00 0.00 C ATOM 148 OE1 GLN A 10 8.162 4.294 7.030 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.807 2.894 5.928 1.00 0.00 N ATOM 0 H GLN A 10 6.707 8.768 6.782 1.00 0.00 H new ATOM 0 HA GLN A 10 7.835 6.469 5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.882 6.493 7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.304 6.933 7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.361 4.561 7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.105 4.757 6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.862 2.679 5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.575 2.260 5.707 1.00 0.00 H new ATOM 158 N VAL A 11 4.966 7.437 4.357 1.00 0.00 N ATOM 159 CA VAL A 11 4.018 7.193 3.287 1.00 0.00 C ATOM 160 C VAL A 11 4.487 7.733 1.937 1.00 0.00 C ATOM 161 O VAL A 11 4.480 7.008 0.952 1.00 0.00 O ATOM 162 CB VAL A 11 2.626 7.756 3.633 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.660 7.581 2.472 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.088 7.068 4.873 1.00 0.00 C ATOM 0 H VAL A 11 4.753 8.248 4.937 1.00 0.00 H new ATOM 0 HA VAL A 11 3.948 6.110 3.191 1.00 0.00 H new ATOM 0 HB VAL A 11 2.725 8.824 3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.686 7.987 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.042 8.109 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.559 6.521 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.104 7.469 5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.008 5.997 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.765 7.243 5.709 1.00 0.00 H new ATOM 174 N CYS A 12 4.907 8.985 1.890 1.00 0.00 N ATOM 175 CA CYS A 12 5.303 9.581 0.618 1.00 0.00 C ATOM 176 C CYS A 12 6.613 8.978 0.109 1.00 0.00 C ATOM 177 O CYS A 12 6.717 8.592 -1.062 1.00 0.00 O ATOM 178 CB CYS A 12 5.407 11.101 0.725 1.00 0.00 C ATOM 179 SG CYS A 12 5.378 11.962 -0.885 1.00 0.00 S ATOM 0 H CYS A 12 4.983 9.602 2.699 1.00 0.00 H new ATOM 0 HA CYS A 12 4.523 9.351 -0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.584 11.469 1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.330 11.356 1.245 1.00 0.00 H new ATOM 184 N TRP A 13 7.612 8.875 0.985 1.00 0.00 N ATOM 185 CA TRP A 13 8.871 8.263 0.599 1.00 0.00 C ATOM 186 C TRP A 13 8.660 6.779 0.370 1.00 0.00 C ATOM 187 O TRP A 13 9.236 6.192 -0.550 1.00 0.00 O ATOM 188 CB TRP A 13 9.964 8.503 1.651 1.00 0.00 C ATOM 189 CG TRP A 13 11.244 7.785 1.347 1.00 0.00 C ATOM 190 CD1 TRP A 13 11.748 6.694 2.000 1.00 0.00 C ATOM 191 CD2 TRP A 13 12.174 8.095 0.305 1.00 0.00 C ATOM 192 NE1 TRP A 13 12.933 6.309 1.427 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.217 7.155 0.383 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.224 9.078 -0.689 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.296 7.167 -0.494 1.00 0.00 C ATOM 196 CZ3 TRP A 13 13.297 9.090 -1.558 1.00 0.00 C ATOM 197 CH2 TRP A 13 14.319 8.141 -1.456 1.00 0.00 C ATOM 0 H TRP A 13 7.571 9.203 1.950 1.00 0.00 H new ATOM 0 HA TRP A 13 9.212 8.727 -0.327 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.163 9.572 1.722 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.598 8.182 2.626 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.281 6.207 2.843 1.00 0.00 H new ATOM 0 HE1 TRP A 13 13.509 5.523 1.727 1.00 0.00 H new ATOM 0 HE3 TRP A 13 11.438 9.814 -0.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.087 6.435 -0.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.348 9.845 -2.329 1.00 0.00 H new ATOM 0 HH2 TRP A 13 15.145 8.177 -2.151 1.00 0.00 H new ATOM 208 N GLY A 14 7.810 6.176 1.203 1.00 0.00 N ATOM 209 CA GLY A 14 7.484 4.779 1.043 1.00 0.00 C ATOM 210 C GLY A 14 6.870 4.510 -0.307 1.00 0.00 C ATOM 211 O GLY A 14 7.216 3.551 -0.958 1.00 0.00 O ATOM 0 H GLY A 14 7.345 6.637 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.385 4.177 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.791 4.473 1.827 1.00 0.00 H new ATOM 215 N ALA A 15 5.971 5.390 -0.730 1.00 0.00 N ATOM 216 CA ALA A 15 5.322 5.283 -2.032 1.00 0.00 C ATOM 217 C ALA A 15 6.349 5.295 -3.149 1.00 0.00 C ATOM 218 O ALA A 15 6.279 4.504 -4.085 1.00 0.00 O ATOM 219 CB ALA A 15 4.352 6.438 -2.228 1.00 0.00 C ATOM 0 H ALA A 15 5.671 6.196 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 15 4.778 4.339 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.873 6.349 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.593 6.412 -1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.895 7.382 -2.175 1.00 0.00 H new ATOM 225 N ARG A 16 7.305 6.192 -3.031 1.00 0.00 N ATOM 226 CA ARG A 16 8.337 6.353 -4.040 1.00 0.00 C ATOM 227 C ARG A 16 9.282 5.152 -4.058 1.00 0.00 C ATOM 228 O ARG A 16 9.699 4.695 -5.122 1.00 0.00 O ATOM 229 CB ARG A 16 9.116 7.644 -3.796 1.00 0.00 C ATOM 230 CG ARG A 16 10.146 7.953 -4.869 1.00 0.00 C ATOM 231 CD ARG A 16 10.861 9.260 -4.590 1.00 0.00 C ATOM 232 NE ARG A 16 9.948 10.407 -4.595 1.00 0.00 N ATOM 233 CZ ARG A 16 10.332 11.668 -4.386 1.00 0.00 C ATOM 234 NH1 ARG A 16 11.613 11.946 -4.162 1.00 0.00 N ATOM 235 NH2 ARG A 16 9.435 12.647 -4.404 1.00 0.00 N ATOM 0 H ARG A 16 7.391 6.828 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 16 7.854 6.413 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.413 8.474 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.619 7.576 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.873 7.143 -4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.656 8.005 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.359 9.199 -3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.638 9.414 -5.339 1.00 0.00 H new ATOM 0 HE ARG A 16 8.959 10.230 -4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.303 11.195 -4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.905 12.910 -4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.452 12.435 -4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.729 13.611 -4.244 1.00 0.00 H new ATOM 249 N ASP A 17 9.606 4.641 -2.883 1.00 0.00 N ATOM 250 CA ASP A 17 10.493 3.490 -2.773 1.00 0.00 C ATOM 251 C ASP A 17 9.762 2.214 -3.183 1.00 0.00 C ATOM 252 O ASP A 17 10.342 1.320 -3.808 1.00 0.00 O ATOM 253 CB ASP A 17 11.036 3.364 -1.351 1.00 0.00 C ATOM 254 CG ASP A 17 12.105 2.300 -1.232 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.253 2.560 -1.647 1.00 0.00 O ATOM 256 OD2 ASP A 17 11.807 1.204 -0.711 1.00 0.00 O ATOM 0 H ASP A 17 9.270 5.003 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 17 11.335 3.638 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.446 4.323 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.216 3.129 -0.672 1.00 0.00 H new ATOM 261 N GLU A 18 8.480 2.144 -2.842 1.00 0.00 N ATOM 262 CA GLU A 18 7.640 1.016 -3.213 1.00 0.00 C ATOM 263 C GLU A 18 7.343 1.036 -4.703 1.00 0.00 C ATOM 264 O GLU A 18 7.004 0.015 -5.292 1.00 0.00 O ATOM 265 CB GLU A 18 6.345 0.994 -2.392 1.00 0.00 C ATOM 266 CG GLU A 18 6.546 0.494 -0.966 1.00 0.00 C ATOM 267 CD GLU A 18 5.248 0.325 -0.203 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.471 -0.608 -0.531 1.00 0.00 O ATOM 269 OE2 GLU A 18 5.008 1.096 0.750 1.00 0.00 O ATOM 0 H GLU A 18 7.998 2.864 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 18 8.187 0.100 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.925 1.999 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.615 0.358 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.070 -0.461 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.187 1.194 -0.430 1.00 0.00 H new ATOM 276 N TYR A 19 7.470 2.211 -5.308 1.00 0.00 N ATOM 277 CA TYR A 19 7.329 2.352 -6.747 1.00 0.00 C ATOM 278 C TYR A 19 8.428 1.548 -7.441 1.00 0.00 C ATOM 279 O TYR A 19 8.240 1.014 -8.537 1.00 0.00 O ATOM 280 CB TYR A 19 7.399 3.836 -7.140 1.00 0.00 C ATOM 281 CG TYR A 19 7.516 4.088 -8.626 1.00 0.00 C ATOM 282 CD1 TYR A 19 6.448 3.854 -9.485 1.00 0.00 C ATOM 283 CD2 TYR A 19 8.700 4.565 -9.167 1.00 0.00 C ATOM 284 CE1 TYR A 19 6.563 4.089 -10.844 1.00 0.00 C ATOM 285 CE2 TYR A 19 8.823 4.802 -10.516 1.00 0.00 C ATOM 286 CZ TYR A 19 7.755 4.564 -11.353 1.00 0.00 C ATOM 287 OH TYR A 19 7.882 4.801 -12.705 1.00 0.00 O ATOM 0 H TYR A 19 7.672 3.083 -4.819 1.00 0.00 H new ATOM 0 HA TYR A 19 6.360 1.967 -7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.506 4.339 -6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.253 4.291 -6.639 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.515 3.484 -9.086 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.541 4.754 -8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.727 3.902 -11.501 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.754 5.174 -10.918 1.00 0.00 H new ATOM 0 HH TYR A 19 8.784 5.134 -12.896 1.00 0.00 H new ATOM 297 N TRP A 20 9.571 1.460 -6.779 1.00 0.00 N ATOM 298 CA TRP A 20 10.684 0.682 -7.272 1.00 0.00 C ATOM 299 C TRP A 20 10.442 -0.791 -6.940 1.00 0.00 C ATOM 300 O TRP A 20 10.411 -1.647 -7.824 1.00 0.00 O ATOM 301 CB TRP A 20 11.984 1.174 -6.629 1.00 0.00 C ATOM 302 CG TRP A 20 13.220 0.726 -7.340 1.00 0.00 C ATOM 303 CD1 TRP A 20 14.013 -0.335 -7.023 1.00 0.00 C ATOM 304 CD2 TRP A 20 13.809 1.339 -8.488 1.00 0.00 C ATOM 305 NE1 TRP A 20 15.057 -0.421 -7.907 1.00 0.00 N ATOM 306 CE2 TRP A 20 14.954 0.596 -8.815 1.00 0.00 C ATOM 307 CE3 TRP A 20 13.475 2.446 -9.274 1.00 0.00 C ATOM 308 CZ2 TRP A 20 15.771 0.921 -9.892 1.00 0.00 C ATOM 309 CZ3 TRP A 20 14.286 2.768 -10.342 1.00 0.00 C ATOM 310 CH2 TRP A 20 15.422 2.009 -10.643 1.00 0.00 C ATOM 0 H TRP A 20 9.748 1.926 -5.889 1.00 0.00 H new ATOM 0 HA TRP A 20 10.772 0.796 -8.352 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.971 2.263 -6.595 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.023 0.823 -5.598 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.844 -1.009 -6.197 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.791 -1.129 -7.890 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.599 3.037 -9.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.648 0.336 -10.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.040 3.621 -10.957 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.036 2.288 -11.486 1.00 0.00 H new ATOM 321 N LYS A 21 10.249 -1.067 -5.658 1.00 0.00 N ATOM 322 CA LYS A 21 9.934 -2.410 -5.185 1.00 0.00 C ATOM 323 C LYS A 21 8.702 -2.357 -4.302 1.00 0.00 C ATOM 324 O LYS A 21 8.740 -1.810 -3.199 1.00 0.00 O ATOM 325 CB LYS A 21 11.115 -3.022 -4.428 1.00 0.00 C ATOM 326 CG LYS A 21 12.300 -3.346 -5.317 1.00 0.00 C ATOM 327 CD LYS A 21 13.433 -3.977 -4.531 1.00 0.00 C ATOM 328 CE LYS A 21 14.590 -4.346 -5.441 1.00 0.00 C ATOM 329 NZ LYS A 21 15.668 -5.056 -4.712 1.00 0.00 N ATOM 0 H LYS A 21 10.306 -0.369 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 21 9.733 -3.047 -6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.434 -2.331 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.784 -3.934 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.985 -4.024 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.654 -2.434 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.777 -3.284 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.072 -4.868 -4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.226 -4.976 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.995 -3.442 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.438 -5.289 -5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.034 -4.446 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.289 -5.932 -4.299 1.00 0.00 H new ATOM 343 N CYS A 22 7.608 -2.915 -4.794 1.00 0.00 N ATOM 344 CA CYS A 22 6.333 -2.838 -4.103 1.00 0.00 C ATOM 345 C CYS A 22 6.373 -3.561 -2.770 1.00 0.00 C ATOM 346 O CYS A 22 7.010 -4.612 -2.633 1.00 0.00 O ATOM 347 CB CYS A 22 5.211 -3.409 -4.980 1.00 0.00 C ATOM 348 SG CYS A 22 5.385 -5.189 -5.362 1.00 0.00 S ATOM 0 H CYS A 22 7.579 -3.429 -5.675 1.00 0.00 H new ATOM 0 HA CYS A 22 6.131 -1.785 -3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.257 -3.249 -4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.177 -2.850 -5.915 1.00 0.00 H new ATOM 353 N LEU A 23 5.674 -2.987 -1.794 1.00 0.00 N ATOM 354 CA LEU A 23 5.572 -3.537 -0.454 1.00 0.00 C ATOM 355 C LEU A 23 6.919 -3.890 0.143 1.00 0.00 C ATOM 356 O LEU A 23 7.077 -4.965 0.722 1.00 0.00 O ATOM 357 CB LEU A 23 4.645 -4.749 -0.409 1.00 0.00 C ATOM 358 CG LEU A 23 3.348 -4.556 0.377 1.00 0.00 C ATOM 359 CD1 LEU A 23 3.567 -3.675 1.599 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.250 -4.001 -0.502 1.00 0.00 C ATOM 0 H LEU A 23 5.158 -2.116 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 23 5.141 -2.744 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.392 -5.029 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.191 -5.587 0.025 1.00 0.00 H new ATOM 0 HG LEU A 23 3.029 -5.538 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.626 -3.557 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.304 -4.139 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.929 -2.697 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.341 -3.875 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.558 -3.036 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.058 -4.691 -1.323 1.00 0.00 H new ATOM 372 N ASP A 24 7.868 -2.964 0.042 1.00 0.00 N ATOM 373 CA ASP A 24 9.214 -3.140 0.617 1.00 0.00 C ATOM 374 C ASP A 24 9.123 -3.393 2.134 1.00 0.00 C ATOM 375 O ASP A 24 10.073 -3.855 2.767 1.00 0.00 O ATOM 376 CB ASP A 24 10.070 -1.896 0.330 1.00 0.00 C ATOM 377 CG ASP A 24 11.520 -2.055 0.751 1.00 0.00 C ATOM 378 OD1 ASP A 24 12.295 -2.700 0.006 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.901 -1.524 1.820 1.00 0.00 O ATOM 0 H ASP A 24 7.735 -2.073 -0.436 1.00 0.00 H new ATOM 0 HA ASP A 24 9.685 -4.007 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.031 -1.675 -0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.640 -1.040 0.849 1.00 0.00 H new ATOM 384 N GLU A 25 7.962 -3.078 2.688 1.00 0.00 N ATOM 385 CA GLU A 25 7.673 -3.252 4.103 1.00 0.00 C ATOM 386 C GLU A 25 7.744 -4.723 4.525 1.00 0.00 C ATOM 387 O GLU A 25 8.527 -5.090 5.398 1.00 0.00 O ATOM 388 CB GLU A 25 6.269 -2.744 4.400 1.00 0.00 C ATOM 389 CG GLU A 25 5.924 -1.452 3.711 1.00 0.00 C ATOM 390 CD GLU A 25 4.589 -0.925 4.108 1.00 0.00 C ATOM 391 OE1 GLU A 25 3.624 -1.717 4.136 1.00 0.00 O ATOM 392 OE2 GLU A 25 4.481 0.288 4.340 1.00 0.00 O ATOM 0 H GLU A 25 7.182 -2.688 2.159 1.00 0.00 H new ATOM 0 HA GLU A 25 8.423 -2.690 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.548 -3.506 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.163 -2.609 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.686 -0.708 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.943 -1.605 2.632 1.00 0.00 H new ATOM 399 N ASN A 26 6.911 -5.563 3.902 1.00 0.00 N ATOM 400 CA ASN A 26 6.823 -6.979 4.310 1.00 0.00 C ATOM 401 C ASN A 26 7.027 -7.951 3.145 1.00 0.00 C ATOM 402 O ASN A 26 7.489 -9.072 3.349 1.00 0.00 O ATOM 403 CB ASN A 26 5.458 -7.254 4.959 1.00 0.00 C ATOM 404 CG ASN A 26 5.212 -6.427 6.207 1.00 0.00 C ATOM 405 OD1 ASN A 26 5.537 -6.845 7.316 1.00 0.00 O ATOM 406 ND2 ASN A 26 4.631 -5.254 6.033 1.00 0.00 N ATOM 0 H ASN A 26 6.298 -5.301 3.130 1.00 0.00 H new ATOM 0 HA ASN A 26 7.630 -7.147 5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.670 -7.049 4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.390 -8.312 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.436 -4.657 6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.377 -4.945 5.095 1.00 0.00 H new ATOM 413 N LEU A 27 6.691 -7.511 1.927 1.00 0.00 N ATOM 414 CA LEU A 27 6.811 -8.341 0.698 1.00 0.00 C ATOM 415 C LEU A 27 6.070 -9.696 0.810 1.00 0.00 C ATOM 416 O LEU A 27 6.297 -10.595 0.004 1.00 0.00 O ATOM 417 CB LEU A 27 8.293 -8.601 0.331 1.00 0.00 C ATOM 418 CG LEU A 27 9.160 -7.367 0.043 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.632 -6.724 1.334 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.345 -7.737 -0.836 1.00 0.00 C ATOM 0 H LEU A 27 6.328 -6.574 1.754 1.00 0.00 H new ATOM 0 HA LEU A 27 6.335 -7.761 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.753 -9.157 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.318 -9.246 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 27 8.548 -6.641 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.244 -5.852 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.769 -6.416 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.223 -7.442 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.947 -6.849 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.954 -8.485 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.984 -8.143 -1.781 1.00 0.00 H new ATOM 432 N GLU A 28 5.168 -9.825 1.781 1.00 0.00 N ATOM 433 CA GLU A 28 4.480 -11.100 2.010 1.00 0.00 C ATOM 434 C GLU A 28 3.423 -11.416 0.947 1.00 0.00 C ATOM 435 O GLU A 28 3.145 -12.586 0.673 1.00 0.00 O ATOM 436 CB GLU A 28 3.879 -11.162 3.414 1.00 0.00 C ATOM 437 CG GLU A 28 4.927 -11.239 4.514 1.00 0.00 C ATOM 438 CD GLU A 28 4.330 -11.499 5.878 1.00 0.00 C ATOM 439 OE1 GLU A 28 4.052 -10.526 6.602 1.00 0.00 O ATOM 440 OE2 GLU A 28 4.142 -12.681 6.236 1.00 0.00 O ATOM 0 H GLU A 28 4.897 -9.074 2.416 1.00 0.00 H new ATOM 0 HA GLU A 28 5.243 -11.874 1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.257 -10.281 3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.225 -12.031 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.638 -12.031 4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.488 -10.305 4.541 1.00 0.00 H new ATOM 447 N ASP A 29 2.831 -10.393 0.355 1.00 0.00 N ATOM 448 CA ASP A 29 1.845 -10.615 -0.692 1.00 0.00 C ATOM 449 C ASP A 29 2.038 -9.641 -1.828 1.00 0.00 C ATOM 450 O ASP A 29 1.511 -8.529 -1.818 1.00 0.00 O ATOM 451 CB ASP A 29 0.426 -10.522 -0.159 1.00 0.00 C ATOM 452 CG ASP A 29 -0.593 -11.027 -1.160 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.939 -12.225 -1.104 1.00 0.00 O ATOM 454 OD2 ASP A 29 -1.037 -10.245 -2.013 1.00 0.00 O ATOM 0 H ASP A 29 3.011 -9.414 0.576 1.00 0.00 H new ATOM 0 HA ASP A 29 1.997 -11.627 -1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.346 -11.100 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.202 -9.486 0.095 1.00 0.00 H new ATOM 459 N ALA A 30 2.830 -10.043 -2.780 1.00 0.00 N ATOM 460 CA ALA A 30 3.106 -9.224 -3.938 1.00 0.00 C ATOM 461 C ALA A 30 1.886 -9.113 -4.857 1.00 0.00 C ATOM 462 O ALA A 30 1.826 -8.245 -5.720 1.00 0.00 O ATOM 463 CB ALA A 30 4.312 -9.753 -4.692 1.00 0.00 C ATOM 0 H ALA A 30 3.305 -10.946 -2.781 1.00 0.00 H new ATOM 0 HA ALA A 30 3.336 -8.219 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.503 -9.123 -5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.183 -9.743 -4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.117 -10.774 -5.021 1.00 0.00 H new ATOM 469 N SER A 31 0.920 -9.989 -4.664 1.00 0.00 N ATOM 470 CA SER A 31 -0.286 -9.973 -5.469 1.00 0.00 C ATOM 471 C SER A 31 -1.084 -8.688 -5.231 1.00 0.00 C ATOM 472 O SER A 31 -1.639 -8.103 -6.167 1.00 0.00 O ATOM 473 CB SER A 31 -1.135 -11.198 -5.157 1.00 0.00 C ATOM 474 OG SER A 31 -0.456 -12.394 -5.521 1.00 0.00 O ATOM 0 H SER A 31 0.947 -10.722 -3.955 1.00 0.00 H new ATOM 0 HA SER A 31 -0.002 -10.000 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.372 -11.219 -4.093 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.082 -11.135 -5.693 1.00 0.00 H new ATOM 0 HG SER A 31 -1.020 -13.167 -5.310 1.00 0.00 H new ATOM 480 N GLN A 32 -1.125 -8.245 -3.985 1.00 0.00 N ATOM 481 CA GLN A 32 -1.840 -7.031 -3.634 1.00 0.00 C ATOM 482 C GLN A 32 -0.923 -5.817 -3.666 1.00 0.00 C ATOM 483 O GLN A 32 -1.386 -4.684 -3.546 1.00 0.00 O ATOM 484 CB GLN A 32 -2.470 -7.155 -2.245 1.00 0.00 C ATOM 485 CG GLN A 32 -3.629 -8.135 -2.165 1.00 0.00 C ATOM 486 CD GLN A 32 -4.808 -7.718 -3.022 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.914 -8.102 -4.183 1.00 0.00 O ATOM 488 NE2 GLN A 32 -5.695 -6.915 -2.457 1.00 0.00 N ATOM 0 H GLN A 32 -0.670 -8.710 -3.199 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.626 -6.894 -4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.701 -7.463 -1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.819 -6.172 -1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.288 -9.121 -2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.953 -8.225 -1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.571 -6.618 -1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.503 -6.593 -2.989 1.00 0.00 H new ATOM 497 N CYS A 33 0.376 -6.042 -3.847 1.00 0.00 N ATOM 498 CA CYS A 33 1.329 -4.938 -3.817 1.00 0.00 C ATOM 499 C CYS A 33 1.132 -4.006 -4.986 1.00 0.00 C ATOM 500 O CYS A 33 1.342 -2.817 -4.860 1.00 0.00 O ATOM 501 CB CYS A 33 2.780 -5.421 -3.779 1.00 0.00 C ATOM 502 SG CYS A 33 3.475 -5.886 -5.407 1.00 0.00 S ATOM 0 H CYS A 33 0.786 -6.961 -4.013 1.00 0.00 H new ATOM 0 HA CYS A 33 1.132 -4.394 -2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.399 -4.635 -3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.845 -6.281 -3.113 1.00 0.00 H new ATOM 507 N LYS A 34 0.722 -4.544 -6.122 1.00 0.00 N ATOM 508 CA LYS A 34 0.505 -3.724 -7.299 1.00 0.00 C ATOM 509 C LYS A 34 -0.652 -2.759 -7.061 1.00 0.00 C ATOM 510 O LYS A 34 -0.617 -1.610 -7.494 1.00 0.00 O ATOM 511 CB LYS A 34 0.240 -4.600 -8.527 1.00 0.00 C ATOM 512 CG LYS A 34 0.130 -3.826 -9.830 1.00 0.00 C ATOM 513 CD LYS A 34 1.390 -3.021 -10.105 1.00 0.00 C ATOM 514 CE LYS A 34 1.340 -2.363 -11.471 1.00 0.00 C ATOM 515 NZ LYS A 34 0.178 -1.445 -11.612 1.00 0.00 N ATOM 0 H LYS A 34 0.534 -5.538 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 34 1.407 -3.142 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.043 -5.331 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.683 -5.158 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.048 -4.519 -10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.729 -3.156 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.511 -2.258 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.261 -3.674 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.262 -1.807 -11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.288 -3.133 -12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.267 -0.905 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.702 -1.999 -11.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.155 -0.788 -10.806 1.00 0.00 H new ATOM 529 N LYS A 35 -1.654 -3.230 -6.340 1.00 0.00 N ATOM 530 CA LYS A 35 -2.818 -2.420 -6.021 1.00 0.00 C ATOM 531 C LYS A 35 -2.486 -1.400 -4.942 1.00 0.00 C ATOM 532 O LYS A 35 -2.782 -0.213 -5.086 1.00 0.00 O ATOM 533 CB LYS A 35 -3.992 -3.306 -5.576 1.00 0.00 C ATOM 534 CG LYS A 35 -4.785 -3.928 -6.724 1.00 0.00 C ATOM 535 CD LYS A 35 -3.935 -4.840 -7.595 1.00 0.00 C ATOM 536 CE LYS A 35 -4.729 -5.359 -8.782 1.00 0.00 C ATOM 537 NZ LYS A 35 -3.897 -6.191 -9.684 1.00 0.00 N ATOM 0 H LYS A 35 -1.685 -4.177 -5.961 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.113 -1.884 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.608 -4.105 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.669 -2.710 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.621 -4.496 -6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.209 -3.135 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.059 -4.297 -7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.571 -5.679 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.575 -5.946 -8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.139 -4.517 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.476 -6.525 -10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.104 -5.624 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.526 -7.008 -9.159 1.00 0.00 H new ATOM 551 N LEU A 36 -1.856 -1.867 -3.870 1.00 0.00 N ATOM 552 CA LEU A 36 -1.469 -0.997 -2.764 1.00 0.00 C ATOM 553 C LEU A 36 -0.461 0.054 -3.223 1.00 0.00 C ATOM 554 O LEU A 36 -0.593 1.232 -2.903 1.00 0.00 O ATOM 555 CB LEU A 36 -0.907 -1.824 -1.602 1.00 0.00 C ATOM 556 CG LEU A 36 -1.899 -2.797 -0.950 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.227 -3.602 0.143 1.00 0.00 C ATOM 558 CD2 LEU A 36 -3.092 -2.051 -0.399 1.00 0.00 C ATOM 0 H LEU A 36 -1.601 -2.846 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.359 -0.474 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.050 -2.392 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.537 -1.141 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.247 -3.488 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.950 -4.284 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.402 -4.175 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.844 -2.927 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.784 -2.758 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.758 -1.333 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.596 -1.523 -1.208 1.00 0.00 H new ATOM 570 N ARG A 37 0.542 -0.378 -3.993 1.00 0.00 N ATOM 571 CA ARG A 37 1.538 0.546 -4.536 1.00 0.00 C ATOM 572 C ARG A 37 0.845 1.622 -5.352 1.00 0.00 C ATOM 573 O ARG A 37 1.121 2.802 -5.198 1.00 0.00 O ATOM 574 CB ARG A 37 2.527 -0.195 -5.438 1.00 0.00 C ATOM 575 CG ARG A 37 3.769 0.606 -5.785 1.00 0.00 C ATOM 576 CD ARG A 37 4.458 0.054 -7.024 1.00 0.00 C ATOM 577 NE ARG A 37 3.951 0.675 -8.248 1.00 0.00 N ATOM 578 CZ ARG A 37 4.405 0.425 -9.477 1.00 0.00 C ATOM 579 NH1 ARG A 37 5.343 -0.494 -9.674 1.00 0.00 N ATOM 580 NH2 ARG A 37 3.921 1.108 -10.507 1.00 0.00 N ATOM 0 H ARG A 37 0.684 -1.354 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 37 2.079 0.995 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.830 -1.119 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.020 -0.477 -6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.497 1.648 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.462 0.589 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.532 0.223 -6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.307 -1.024 -7.074 1.00 0.00 H new ATOM 0 HE ARG A 37 3.193 1.351 -8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.721 -1.014 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.685 -0.680 -10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.206 1.820 -10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.264 0.921 -11.449 1.00 0.00 H new ATOM 594 N SER A 38 -0.083 1.192 -6.204 1.00 0.00 N ATOM 595 CA SER A 38 -0.815 2.095 -7.078 1.00 0.00 C ATOM 596 C SER A 38 -1.607 3.126 -6.266 1.00 0.00 C ATOM 597 O SER A 38 -1.799 4.266 -6.704 1.00 0.00 O ATOM 598 CB SER A 38 -1.750 1.296 -7.990 1.00 0.00 C ATOM 599 OG SER A 38 -2.109 2.039 -9.143 1.00 0.00 O ATOM 0 H SER A 38 -0.345 0.211 -6.305 1.00 0.00 H new ATOM 0 HA SER A 38 -0.097 2.636 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.262 0.369 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.649 1.020 -7.439 1.00 0.00 H new ATOM 0 HG SER A 38 -2.705 1.502 -9.706 1.00 0.00 H new ATOM 605 N SER A 39 -2.055 2.731 -5.082 1.00 0.00 N ATOM 606 CA SER A 39 -2.786 3.630 -4.213 1.00 0.00 C ATOM 607 C SER A 39 -1.840 4.696 -3.657 1.00 0.00 C ATOM 608 O SER A 39 -2.216 5.850 -3.483 1.00 0.00 O ATOM 609 CB SER A 39 -3.453 2.855 -3.076 1.00 0.00 C ATOM 610 OG SER A 39 -4.344 3.683 -2.358 1.00 0.00 O ATOM 0 H SER A 39 -1.923 1.792 -4.705 1.00 0.00 H new ATOM 0 HA SER A 39 -3.569 4.121 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.992 1.999 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.692 2.462 -2.402 1.00 0.00 H new ATOM 0 HG SER A 39 -3.839 4.237 -1.727 1.00 0.00 H new ATOM 616 N PHE A 40 -0.608 4.300 -3.397 1.00 0.00 N ATOM 617 CA PHE A 40 0.409 5.213 -2.928 1.00 0.00 C ATOM 618 C PHE A 40 0.877 6.125 -4.065 1.00 0.00 C ATOM 619 O PHE A 40 1.314 7.258 -3.841 1.00 0.00 O ATOM 620 CB PHE A 40 1.576 4.428 -2.339 1.00 0.00 C ATOM 621 CG PHE A 40 1.360 4.006 -0.912 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.360 3.110 -0.584 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.155 4.515 0.102 1.00 0.00 C ATOM 624 CE1 PHE A 40 0.153 2.732 0.725 1.00 0.00 C ATOM 625 CE2 PHE A 40 1.955 4.139 1.413 1.00 0.00 C ATOM 626 CZ PHE A 40 0.952 3.248 1.726 1.00 0.00 C ATOM 0 H PHE A 40 -0.288 3.338 -3.506 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.012 5.845 -2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.751 3.541 -2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.478 5.037 -2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.267 2.701 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.941 5.215 -0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.633 2.033 0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.583 4.542 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.791 2.954 2.753 1.00 0.00 H new ATOM 636 N GLU A 41 0.754 5.625 -5.287 1.00 0.00 N ATOM 637 CA GLU A 41 1.107 6.376 -6.496 1.00 0.00 C ATOM 638 C GLU A 41 0.048 7.394 -6.817 1.00 0.00 C ATOM 639 O GLU A 41 0.178 8.172 -7.764 1.00 0.00 O ATOM 640 CB GLU A 41 1.219 5.445 -7.667 1.00 0.00 C ATOM 641 CG GLU A 41 2.267 4.396 -7.504 1.00 0.00 C ATOM 642 CD GLU A 41 2.376 3.500 -8.718 1.00 0.00 C ATOM 643 OE1 GLU A 41 2.908 3.945 -9.748 1.00 0.00 O ATOM 644 OE2 GLU A 41 1.922 2.339 -8.646 1.00 0.00 O ATOM 0 H GLU A 41 0.406 4.685 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 41 2.059 6.874 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.256 4.961 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.437 6.027 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.230 4.873 -7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.038 3.790 -6.627 1.00 0.00 H new ATOM 651 N SER A 42 -1.002 7.365 -6.050 1.00 0.00 N ATOM 652 CA SER A 42 -2.125 8.258 -6.258 1.00 0.00 C ATOM 653 C SER A 42 -1.683 9.707 -6.128 1.00 0.00 C ATOM 654 O SER A 42 -1.951 10.527 -7.001 1.00 0.00 O ATOM 655 CB SER A 42 -3.259 7.949 -5.274 1.00 0.00 C ATOM 656 OG SER A 42 -4.437 8.660 -5.604 1.00 0.00 O ATOM 0 H SER A 42 -1.113 6.727 -5.262 1.00 0.00 H new ATOM 0 HA SER A 42 -2.503 8.101 -7.268 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.465 6.879 -5.278 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.946 8.209 -4.263 1.00 0.00 H new ATOM 0 HG SER A 42 -4.861 8.989 -4.784 1.00 0.00 H new ATOM 662 N SER A 43 -1.002 10.020 -5.041 1.00 0.00 N ATOM 663 CA SER A 43 -0.522 11.370 -4.835 1.00 0.00 C ATOM 664 C SER A 43 0.760 11.402 -4.000 1.00 0.00 C ATOM 665 O SER A 43 1.859 11.424 -4.548 1.00 0.00 O ATOM 666 CB SER A 43 -1.611 12.235 -4.190 1.00 0.00 C ATOM 667 OG SER A 43 -2.760 12.312 -5.020 1.00 0.00 O ATOM 0 H SER A 43 -0.771 9.364 -4.295 1.00 0.00 H new ATOM 0 HA SER A 43 -0.279 11.783 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.885 11.817 -3.221 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.223 13.237 -4.007 1.00 0.00 H new ATOM 0 HG SER A 43 -2.485 12.497 -5.942 1.00 0.00 H new ATOM 673 N CYS A 44 0.599 11.354 -2.678 1.00 0.00 N ATOM 674 CA CYS A 44 1.715 11.461 -1.725 1.00 0.00 C ATOM 675 C CYS A 44 1.182 11.581 -0.273 1.00 0.00 C ATOM 676 O CYS A 44 1.648 10.867 0.615 1.00 0.00 O ATOM 677 CB CYS A 44 2.638 12.660 -2.071 1.00 0.00 C ATOM 678 SG CYS A 44 3.769 13.189 -0.734 1.00 0.00 S ATOM 0 H CYS A 44 -0.311 11.239 -2.231 1.00 0.00 H new ATOM 0 HA CYS A 44 2.309 10.551 -1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.234 12.398 -2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.014 13.508 -2.353 1.00 0.00 H new ATOM 683 N PRO A 45 0.193 12.501 -0.004 1.00 0.00 N ATOM 684 CA PRO A 45 -0.406 12.636 1.333 1.00 0.00 C ATOM 685 C PRO A 45 -1.076 11.342 1.790 1.00 0.00 C ATOM 686 O PRO A 45 -1.788 10.687 1.018 1.00 0.00 O ATOM 687 CB PRO A 45 -1.453 13.749 1.161 1.00 0.00 C ATOM 688 CG PRO A 45 -1.685 13.838 -0.306 1.00 0.00 C ATOM 689 CD PRO A 45 -0.382 13.483 -0.946 1.00 0.00 C ATOM 0 HA PRO A 45 0.343 12.862 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.374 13.509 1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.091 14.696 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.474 13.154 -0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.001 14.841 -0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.523 13.056 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.261 14.355 -1.063 1.00 0.00 H new ATOM 697 N GLN A 46 -0.859 10.995 3.049 1.00 0.00 N ATOM 698 CA GLN A 46 -1.382 9.760 3.618 1.00 0.00 C ATOM 699 C GLN A 46 -2.894 9.764 3.674 1.00 0.00 C ATOM 700 O GLN A 46 -3.517 8.715 3.558 1.00 0.00 O ATOM 701 CB GLN A 46 -0.788 9.527 5.014 1.00 0.00 C ATOM 702 CG GLN A 46 -1.236 8.230 5.676 1.00 0.00 C ATOM 703 CD GLN A 46 -2.306 8.435 6.739 1.00 0.00 C ATOM 704 OE1 GLN A 46 -3.555 8.368 6.342 1.00 0.00 O flip ATOM 705 NE2 GLN A 46 -2.002 8.657 7.908 1.00 0.00 N flip ATOM 0 H GLN A 46 -0.317 11.559 3.704 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.084 8.940 2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.299 9.526 4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.062 10.363 5.657 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.618 7.553 4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.372 7.744 6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.020 8.702 8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.732 8.796 8.607 1.00 0.00 H new ATOM 714 N GLN A 47 -3.477 10.934 3.855 1.00 0.00 N ATOM 715 CA GLN A 47 -4.926 11.067 3.922 1.00 0.00 C ATOM 716 C GLN A 47 -5.586 10.442 2.692 1.00 0.00 C ATOM 717 O GLN A 47 -6.381 9.513 2.811 1.00 0.00 O ATOM 718 CB GLN A 47 -5.309 12.539 4.052 1.00 0.00 C ATOM 719 CG GLN A 47 -6.804 12.793 4.126 1.00 0.00 C ATOM 720 CD GLN A 47 -7.125 14.247 4.393 1.00 0.00 C ATOM 721 OE1 GLN A 47 -6.364 14.954 5.060 1.00 0.00 O ATOM 722 NE2 GLN A 47 -8.247 14.704 3.885 1.00 0.00 N ATOM 0 H GLN A 47 -2.969 11.812 3.959 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.285 10.533 4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.839 12.947 4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.902 13.085 3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.270 12.486 3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.237 12.177 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.848 14.087 3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.517 15.676 4.036 1.00 0.00 H new ATOM 731 N TRP A 48 -5.222 10.936 1.517 1.00 0.00 N ATOM 732 CA TRP A 48 -5.769 10.424 0.265 1.00 0.00 C ATOM 733 C TRP A 48 -5.323 8.975 0.046 1.00 0.00 C ATOM 734 O TRP A 48 -6.138 8.099 -0.269 1.00 0.00 O ATOM 735 CB TRP A 48 -5.298 11.301 -0.910 1.00 0.00 C ATOM 736 CG TRP A 48 -6.011 11.035 -2.212 1.00 0.00 C ATOM 737 CD1 TRP A 48 -5.969 9.892 -2.962 1.00 0.00 C ATOM 738 CD2 TRP A 48 -6.856 11.947 -2.924 1.00 0.00 C ATOM 739 NE1 TRP A 48 -6.747 10.034 -4.083 1.00 0.00 N ATOM 740 CE2 TRP A 48 -7.300 11.286 -4.085 1.00 0.00 C ATOM 741 CE3 TRP A 48 -7.285 13.254 -2.689 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -8.149 11.889 -5.008 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -8.126 13.853 -3.607 1.00 0.00 C ATOM 744 CH2 TRP A 48 -8.551 13.171 -4.753 1.00 0.00 C ATOM 0 H TRP A 48 -4.548 11.693 1.403 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.857 10.453 0.319 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.435 12.349 -0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.229 11.146 -1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.405 9.006 -2.709 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.890 9.322 -4.799 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -6.966 13.787 -1.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.478 11.364 -5.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -8.461 14.865 -3.437 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.210 13.667 -5.450 1.00 0.00 H new ATOM 755 N ILE A 49 -4.027 8.735 0.237 1.00 0.00 N ATOM 756 CA ILE A 49 -3.442 7.420 0.023 1.00 0.00 C ATOM 757 C ILE A 49 -4.096 6.344 0.872 1.00 0.00 C ATOM 758 O ILE A 49 -4.663 5.406 0.336 1.00 0.00 O ATOM 759 CB ILE A 49 -1.917 7.431 0.270 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.213 8.158 -0.880 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.373 6.013 0.440 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.286 8.212 -0.741 1.00 0.00 C ATOM 0 H ILE A 49 -3.360 9.444 0.542 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.628 7.176 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.718 7.966 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.464 7.662 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.599 9.175 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.297 6.054 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.859 5.537 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.574 5.436 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.712 8.742 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.547 8.735 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.685 7.198 -0.708 1.00 0.00 H new ATOM 774 N LYS A 50 -4.040 6.490 2.192 1.00 0.00 N ATOM 775 CA LYS A 50 -4.591 5.477 3.073 1.00 0.00 C ATOM 776 C LYS A 50 -6.093 5.372 2.953 1.00 0.00 C ATOM 777 O LYS A 50 -6.663 4.335 3.263 1.00 0.00 O ATOM 778 CB LYS A 50 -4.170 5.663 4.529 1.00 0.00 C ATOM 779 CG LYS A 50 -2.759 5.152 4.840 1.00 0.00 C ATOM 780 CD LYS A 50 -2.576 3.666 4.486 1.00 0.00 C ATOM 781 CE LYS A 50 -3.582 2.762 5.204 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.349 1.326 4.893 1.00 0.00 N ATOM 0 H LYS A 50 -3.623 7.291 2.667 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.164 4.532 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.225 6.722 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.883 5.146 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.031 5.746 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.549 5.298 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.681 3.537 3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.564 3.356 4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.508 2.918 6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.595 3.039 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.151 0.761 5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.258 1.204 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.475 1.008 5.358 1.00 0.00 H new ATOM 796 N TYR A 51 -6.743 6.445 2.513 1.00 0.00 N ATOM 797 CA TYR A 51 -8.185 6.393 2.314 1.00 0.00 C ATOM 798 C TYR A 51 -8.535 5.367 1.238 1.00 0.00 C ATOM 799 O TYR A 51 -9.382 4.497 1.450 1.00 0.00 O ATOM 800 CB TYR A 51 -8.756 7.763 1.938 1.00 0.00 C ATOM 801 CG TYR A 51 -10.228 7.715 1.589 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.191 7.547 2.575 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.651 7.817 0.270 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.533 7.484 2.258 1.00 0.00 C ATOM 805 CE2 TYR A 51 -11.989 7.758 -0.053 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.928 7.590 0.944 1.00 0.00 C ATOM 807 OH TYR A 51 -14.267 7.528 0.623 1.00 0.00 O ATOM 0 H TYR A 51 -6.306 7.340 2.292 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.636 6.092 3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.608 8.453 2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.200 8.162 1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.885 7.464 3.607 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.920 7.945 -0.515 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.269 7.352 3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.302 7.843 -1.083 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.376 7.620 -0.347 1.00 0.00 H new ATOM 817 N PHE A 52 -7.883 5.469 0.086 1.00 0.00 N ATOM 818 CA PHE A 52 -8.116 4.527 -1.000 1.00 0.00 C ATOM 819 C PHE A 52 -7.447 3.186 -0.701 1.00 0.00 C ATOM 820 O PHE A 52 -8.015 2.121 -0.962 1.00 0.00 O ATOM 821 CB PHE A 52 -7.621 5.088 -2.337 1.00 0.00 C ATOM 822 CG PHE A 52 -7.970 4.216 -3.514 1.00 0.00 C ATOM 823 CD1 PHE A 52 -9.253 4.222 -4.038 1.00 0.00 C ATOM 824 CD2 PHE A 52 -7.020 3.387 -4.089 1.00 0.00 C ATOM 825 CE1 PHE A 52 -9.581 3.420 -5.114 1.00 0.00 C ATOM 826 CE2 PHE A 52 -7.342 2.584 -5.164 1.00 0.00 C ATOM 827 CZ PHE A 52 -8.624 2.598 -5.677 1.00 0.00 C ATOM 0 H PHE A 52 -7.192 6.191 -0.119 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.191 4.369 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.049 6.079 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.539 5.211 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.005 4.861 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.016 3.369 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.584 3.436 -5.514 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.591 1.944 -5.604 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.878 1.968 -6.516 1.00 0.00 H new ATOM 837 N ASP A 53 -6.245 3.255 -0.137 1.00 0.00 N ATOM 838 CA ASP A 53 -5.458 2.065 0.222 1.00 0.00 C ATOM 839 C ASP A 53 -6.255 1.179 1.155 1.00 0.00 C ATOM 840 O ASP A 53 -6.197 -0.027 1.069 1.00 0.00 O ATOM 841 CB ASP A 53 -4.151 2.495 0.897 1.00 0.00 C ATOM 842 CG ASP A 53 -3.203 1.351 1.180 1.00 0.00 C ATOM 843 OD1 ASP A 53 -2.514 0.910 0.249 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.118 0.927 2.351 1.00 0.00 O ATOM 0 H ASP A 53 -5.783 4.136 0.087 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.226 1.504 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.647 3.223 0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.386 3.000 1.834 1.00 0.00 H new ATOM 849 N LYS A 54 -7.044 1.820 2.010 1.00 0.00 N ATOM 850 CA LYS A 54 -7.909 1.156 2.991 1.00 0.00 C ATOM 851 C LYS A 54 -8.780 0.074 2.343 1.00 0.00 C ATOM 852 O LYS A 54 -9.133 -0.914 2.980 1.00 0.00 O ATOM 853 CB LYS A 54 -8.827 2.212 3.610 1.00 0.00 C ATOM 854 CG LYS A 54 -9.777 1.703 4.680 1.00 0.00 C ATOM 855 CD LYS A 54 -11.017 2.592 4.779 1.00 0.00 C ATOM 856 CE LYS A 54 -10.655 4.075 4.860 1.00 0.00 C ATOM 857 NZ LYS A 54 -11.856 4.937 4.992 1.00 0.00 N ATOM 0 H LYS A 54 -7.105 2.838 2.045 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.278 0.679 3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.208 2.999 4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.415 2.670 2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.076 0.680 4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.266 1.677 5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.655 2.422 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.595 2.311 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.995 4.241 5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.100 4.362 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.781 5.740 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.707 4.383 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.922 5.293 5.967 1.00 0.00 H new ATOM 871 N ARG A 55 -9.113 0.272 1.078 1.00 0.00 N ATOM 872 CA ARG A 55 -10.012 -0.622 0.366 1.00 0.00 C ATOM 873 C ARG A 55 -9.303 -1.910 -0.075 1.00 0.00 C ATOM 874 O ARG A 55 -9.898 -2.987 -0.079 1.00 0.00 O ATOM 875 CB ARG A 55 -10.601 0.099 -0.855 1.00 0.00 C ATOM 876 CG ARG A 55 -11.110 1.512 -0.559 1.00 0.00 C ATOM 877 CD ARG A 55 -12.255 1.504 0.441 1.00 0.00 C ATOM 878 NE ARG A 55 -13.464 0.916 -0.126 1.00 0.00 N ATOM 879 CZ ARG A 55 -14.137 -0.102 0.413 1.00 0.00 C ATOM 880 NH1 ARG A 55 -13.719 -0.657 1.548 1.00 0.00 N ATOM 881 NH2 ARG A 55 -15.228 -0.560 -0.185 1.00 0.00 N ATOM 0 H ARG A 55 -8.770 1.053 0.518 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.814 -0.904 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.840 0.154 -1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.423 -0.496 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.292 2.118 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.441 1.980 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.959 0.943 1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.463 2.524 0.763 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.820 1.311 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.881 -0.304 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.237 -1.435 1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.550 -0.134 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.745 -1.338 0.224 1.00 0.00 H new ATOM 895 N ARG A 56 -8.047 -1.790 -0.473 1.00 0.00 N ATOM 896 CA ARG A 56 -7.277 -2.944 -0.951 1.00 0.00 C ATOM 897 C ARG A 56 -6.221 -3.366 0.075 1.00 0.00 C ATOM 898 O ARG A 56 -5.446 -4.299 -0.165 1.00 0.00 O ATOM 899 CB ARG A 56 -6.595 -2.601 -2.286 1.00 0.00 C ATOM 900 CG ARG A 56 -7.517 -1.932 -3.304 1.00 0.00 C ATOM 901 CD ARG A 56 -8.712 -2.808 -3.650 1.00 0.00 C ATOM 902 NE ARG A 56 -8.323 -4.001 -4.402 1.00 0.00 N ATOM 903 CZ ARG A 56 -8.718 -5.242 -4.110 1.00 0.00 C ATOM 904 NH1 ARG A 56 -9.477 -5.471 -3.043 1.00 0.00 N ATOM 905 NH2 ARG A 56 -8.346 -6.255 -4.882 1.00 0.00 N ATOM 0 H ARG A 56 -7.533 -0.909 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.966 -3.776 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.749 -1.942 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.193 -3.516 -2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.868 -0.980 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.955 -1.710 -4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.218 -3.108 -2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.427 -2.229 -4.234 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.707 -3.876 -5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.760 -4.696 -2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.776 -6.421 -2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.758 -6.085 -5.698 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.648 -7.204 -4.659 1.00 0.00 H new ATOM 919 N ASP A 57 -6.218 -2.671 1.208 1.00 0.00 N ATOM 920 CA ASP A 57 -5.203 -2.823 2.265 1.00 0.00 C ATOM 921 C ASP A 57 -4.998 -4.262 2.695 1.00 0.00 C ATOM 922 O ASP A 57 -5.882 -4.892 3.285 1.00 0.00 O ATOM 923 CB ASP A 57 -5.559 -1.964 3.475 1.00 0.00 C ATOM 924 CG ASP A 57 -4.407 -1.814 4.445 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.493 -0.940 5.339 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.399 -2.557 4.315 1.00 0.00 O ATOM 0 H ASP A 57 -6.929 -1.973 1.429 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.261 -2.484 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.873 -0.977 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.409 -2.408 3.993 1.00 0.00 H new ATOM 931 N TYR A 58 -3.834 -4.781 2.367 1.00 0.00 N ATOM 932 CA TYR A 58 -3.463 -6.121 2.735 1.00 0.00 C ATOM 933 C TYR A 58 -2.212 -6.120 3.634 1.00 0.00 C ATOM 934 O TYR A 58 -2.261 -6.524 4.789 1.00 0.00 O ATOM 935 CB TYR A 58 -3.216 -6.922 1.471 1.00 0.00 C ATOM 936 CG TYR A 58 -3.072 -8.417 1.674 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.113 -9.287 1.373 1.00 0.00 C ATOM 938 CD2 TYR A 58 -1.895 -8.955 2.148 1.00 0.00 C ATOM 939 CE1 TYR A 58 -3.972 -10.652 1.540 1.00 0.00 C ATOM 940 CE2 TYR A 58 -1.741 -10.307 2.323 1.00 0.00 C ATOM 941 CZ TYR A 58 -2.780 -11.157 2.017 1.00 0.00 C ATOM 942 OH TYR A 58 -2.625 -12.519 2.181 1.00 0.00 O ATOM 0 H TYR A 58 -3.121 -4.281 1.837 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.272 -6.577 3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.039 -6.743 0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.311 -6.547 0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.047 -8.890 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.074 -8.296 2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.788 -11.317 1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.809 -10.703 2.699 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.726 -12.707 2.524 1.00 0.00 H new ATOM 952 N LEU A 59 -1.088 -5.686 3.080 1.00 0.00 N ATOM 953 CA LEU A 59 0.166 -5.650 3.831 1.00 0.00 C ATOM 954 C LEU A 59 0.288 -4.406 4.714 1.00 0.00 C ATOM 955 O LEU A 59 0.931 -4.443 5.758 1.00 0.00 O ATOM 956 CB LEU A 59 1.390 -5.709 2.902 1.00 0.00 C ATOM 957 CG LEU A 59 1.721 -7.039 2.191 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.505 -8.237 3.097 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.973 -7.174 0.867 1.00 0.00 C ATOM 0 H LEU A 59 -1.015 -5.355 2.118 1.00 0.00 H new ATOM 0 HA LEU A 59 0.145 -6.534 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.258 -4.948 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.263 -5.422 3.488 1.00 0.00 H new ATOM 0 HG LEU A 59 2.784 -7.018 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.750 -9.151 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.147 -8.151 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.462 -8.271 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.233 -8.123 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.101 -7.142 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.252 -6.354 0.206 1.00 0.00 H new ATOM 971 N LYS A 60 -0.319 -3.315 4.287 1.00 0.00 N ATOM 972 CA LYS A 60 -0.142 -2.025 4.955 1.00 0.00 C ATOM 973 C LYS A 60 -0.745 -2.008 6.368 1.00 0.00 C ATOM 974 O LYS A 60 -0.099 -1.553 7.318 1.00 0.00 O ATOM 975 CB LYS A 60 -0.734 -0.895 4.097 1.00 0.00 C ATOM 976 CG LYS A 60 0.009 0.441 4.209 1.00 0.00 C ATOM 977 CD LYS A 60 1.442 0.342 3.679 1.00 0.00 C ATOM 978 CE LYS A 60 1.483 -0.076 2.215 1.00 0.00 C ATOM 979 NZ LYS A 60 2.872 -0.168 1.722 1.00 0.00 N ATOM 0 H LYS A 60 -0.942 -3.289 3.480 1.00 0.00 H new ATOM 0 HA LYS A 60 0.930 -1.863 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.735 -1.210 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.774 -0.744 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.532 1.206 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.028 0.760 5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.938 1.306 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.000 -0.378 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.988 -1.040 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.928 0.644 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.866 -0.321 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.376 0.716 1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.354 -0.964 2.187 1.00 0.00 H new ATOM 993 N PHE A 61 -1.967 -2.513 6.508 1.00 0.00 N ATOM 994 CA PHE A 61 -2.649 -2.525 7.803 1.00 0.00 C ATOM 995 C PHE A 61 -1.952 -3.445 8.803 1.00 0.00 C ATOM 996 O PHE A 61 -2.172 -3.340 10.011 1.00 0.00 O ATOM 997 CB PHE A 61 -4.143 -2.900 7.655 1.00 0.00 C ATOM 998 CG PHE A 61 -4.455 -4.380 7.566 1.00 0.00 C ATOM 999 CD1 PHE A 61 -4.789 -5.087 8.712 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.443 -5.059 6.346 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -5.101 -6.429 8.653 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -4.754 -6.406 6.293 1.00 0.00 C ATOM 1003 CZ PHE A 61 -5.083 -7.087 7.445 1.00 0.00 C ATOM 0 H PHE A 61 -2.507 -2.919 5.744 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.597 -1.510 8.198 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.686 -2.486 8.504 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.531 -2.413 6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.805 -4.579 9.665 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.190 -4.530 5.439 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.359 -6.963 9.555 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.739 -6.925 5.346 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.327 -8.138 7.399 1.00 0.00 H new ATOM 1013 N LYS A 62 -1.097 -4.327 8.297 1.00 0.00 N ATOM 1014 CA LYS A 62 -0.364 -5.257 9.144 1.00 0.00 C ATOM 1015 C LYS A 62 0.559 -4.513 10.107 1.00 0.00 C ATOM 1016 O LYS A 62 0.709 -4.902 11.269 1.00 0.00 O ATOM 1017 CB LYS A 62 0.455 -6.229 8.295 1.00 0.00 C ATOM 1018 CG LYS A 62 1.308 -7.169 9.122 1.00 0.00 C ATOM 1019 CD LYS A 62 2.197 -8.035 8.259 1.00 0.00 C ATOM 1020 CE LYS A 62 3.033 -8.974 9.114 1.00 0.00 C ATOM 1021 NZ LYS A 62 2.189 -9.889 9.925 1.00 0.00 N ATOM 0 H LYS A 62 -0.895 -4.416 7.301 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.095 -5.819 9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.220 -6.815 7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.098 -5.661 7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.924 -6.589 9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.663 -7.804 9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.586 -8.614 7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.852 -7.405 7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.690 -9.561 8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.673 -8.389 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.770 -10.676 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.787 -9.368 10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.418 -10.264 9.336 1.00 0.00 H new ATOM 1035 N GLU A 63 1.165 -3.439 9.632 1.00 0.00 N ATOM 1036 CA GLU A 63 2.084 -2.670 10.453 1.00 0.00 C ATOM 1037 C GLU A 63 1.337 -1.578 11.209 1.00 0.00 C ATOM 1038 O GLU A 63 1.942 -0.725 11.862 1.00 0.00 O ATOM 1039 CB GLU A 63 3.192 -2.068 9.599 1.00 0.00 C ATOM 1040 CG GLU A 63 4.428 -1.684 10.389 1.00 0.00 C ATOM 1041 CD GLU A 63 5.040 -2.875 11.083 1.00 0.00 C ATOM 1042 OE1 GLU A 63 5.860 -3.573 10.454 1.00 0.00 O ATOM 1043 OE2 GLU A 63 4.693 -3.131 12.257 1.00 0.00 O ATOM 0 H GLU A 63 1.038 -3.080 8.686 1.00 0.00 H new ATOM 0 HA GLU A 63 2.540 -3.342 11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.473 -2.784 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.807 -1.184 9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.163 -1.236 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.166 -0.927 11.128 1.00 0.00 H new ATOM 1050 N LYS A 64 0.013 -1.620 11.109 1.00 0.00 N ATOM 1051 CA LYS A 64 -0.867 -0.685 11.794 1.00 0.00 C ATOM 1052 C LYS A 64 -0.720 0.742 11.272 1.00 0.00 C ATOM 1053 O LYS A 64 -0.962 1.703 12.005 1.00 0.00 O ATOM 1054 CB LYS A 64 -0.647 -0.738 13.311 1.00 0.00 C ATOM 1055 CG LYS A 64 -0.998 -2.084 13.930 1.00 0.00 C ATOM 1056 CD LYS A 64 -0.693 -2.116 15.419 1.00 0.00 C ATOM 1057 CE LYS A 64 -1.501 -1.077 16.182 1.00 0.00 C ATOM 1058 NZ LYS A 64 -1.236 -1.140 17.637 1.00 0.00 N ATOM 0 H LYS A 64 -0.482 -2.311 10.545 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.889 -0.997 11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.397 -0.509 13.527 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.248 0.038 13.784 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.056 -2.293 13.771 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.438 -2.873 13.427 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.911 -3.108 15.814 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.371 -1.937 15.576 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.258 -0.082 15.810 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.564 -1.235 15.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.804 -0.418 18.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.492 -2.082 17.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.226 -0.964 17.814 1.00 0.00 H new ATOM 1072 N PHE A 65 -0.322 0.883 10.008 1.00 0.00 N ATOM 1073 CA PHE A 65 -0.268 2.199 9.388 1.00 0.00 C ATOM 1074 C PHE A 65 -1.686 2.706 9.229 1.00 0.00 C ATOM 1075 O PHE A 65 -2.462 2.139 8.453 1.00 0.00 O ATOM 1076 CB PHE A 65 0.438 2.151 8.028 1.00 0.00 C ATOM 1077 CG PHE A 65 1.910 1.861 8.114 1.00 0.00 C ATOM 1078 CD1 PHE A 65 2.468 0.813 7.401 1.00 0.00 C ATOM 1079 CD2 PHE A 65 2.738 2.640 8.907 1.00 0.00 C ATOM 1080 CE1 PHE A 65 3.822 0.550 7.476 1.00 0.00 C ATOM 1081 CE2 PHE A 65 4.092 2.380 8.987 1.00 0.00 C ATOM 1082 CZ PHE A 65 4.634 1.334 8.270 1.00 0.00 C ATOM 0 H PHE A 65 -0.037 0.112 9.404 1.00 0.00 H new ATOM 0 HA PHE A 65 0.307 2.873 10.023 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.037 1.389 7.410 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.295 3.106 7.522 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.838 0.194 6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.319 3.461 9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.245 -0.269 6.913 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.725 2.995 9.610 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.693 1.129 8.330 1.00 0.00 H new ATOM 1092 N GLU A 66 -2.018 3.764 9.973 1.00 0.00 N ATOM 1093 CA GLU A 66 -3.384 4.269 10.046 1.00 0.00 C ATOM 1094 C GLU A 66 -4.224 3.211 10.764 1.00 0.00 C ATOM 1095 O GLU A 66 -5.133 2.603 10.191 1.00 0.00 O ATOM 1096 CB GLU A 66 -3.953 4.592 8.646 1.00 0.00 C ATOM 1097 CG GLU A 66 -5.304 5.291 8.663 1.00 0.00 C ATOM 1098 CD GLU A 66 -5.229 6.712 9.167 1.00 0.00 C ATOM 1099 OE1 GLU A 66 -5.312 7.641 8.341 1.00 0.00 O ATOM 1100 OE2 GLU A 66 -5.103 6.910 10.393 1.00 0.00 O ATOM 0 H GLU A 66 -1.350 4.289 10.537 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.406 5.209 10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.239 5.220 8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.045 3.664 8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.719 5.291 7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.992 4.725 9.291 1.00 0.00 H new ATOM 1107 N ALA A 67 -3.855 2.972 12.020 1.00 0.00 N ATOM 1108 CA ALA A 67 -4.471 1.946 12.850 1.00 0.00 C ATOM 1109 C ALA A 67 -5.974 2.121 12.970 1.00 0.00 C ATOM 1110 O ALA A 67 -6.477 3.242 13.085 1.00 0.00 O ATOM 1111 CB ALA A 67 -3.829 1.933 14.230 1.00 0.00 C ATOM 0 H ALA A 67 -3.114 3.490 12.492 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.299 0.988 12.359 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.297 1.162 14.842 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.764 1.723 14.134 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.965 2.905 14.704 1.00 0.00 H new ATOM 1117 N GLY A 68 -6.683 1.004 12.930 1.00 0.00 N ATOM 1118 CA GLY A 68 -8.119 1.023 13.065 1.00 0.00 C ATOM 1119 C GLY A 68 -8.820 1.359 11.775 1.00 0.00 C ATOM 1120 O GLY A 68 -10.048 1.407 11.726 1.00 0.00 O ATOM 0 H GLY A 68 -6.281 0.075 12.805 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.460 0.049 13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.399 1.751 13.826 1.00 0.00 H new ATOM 1124 N GLN A 69 -8.054 1.579 10.729 1.00 0.00 N ATOM 1125 CA GLN A 69 -8.619 1.942 9.453 1.00 0.00 C ATOM 1126 C GLN A 69 -8.179 0.966 8.369 1.00 0.00 C ATOM 1127 O GLN A 69 -7.092 1.094 7.806 1.00 0.00 O ATOM 1128 CB GLN A 69 -8.204 3.360 9.084 1.00 0.00 C ATOM 1129 CG GLN A 69 -8.998 3.952 7.944 1.00 0.00 C ATOM 1130 CD GLN A 69 -10.463 4.120 8.289 1.00 0.00 C ATOM 1131 OE1 GLN A 69 -11.276 3.221 8.065 1.00 0.00 O ATOM 1132 NE2 GLN A 69 -10.808 5.268 8.825 1.00 0.00 N ATOM 0 H GLN A 69 -7.036 1.512 10.740 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.705 1.898 9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.312 4.000 9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.147 3.361 8.817 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.577 4.921 7.676 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.905 3.310 7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.102 5.985 8.993 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.782 5.443 9.073 1.00 0.00 H new ATOM 1141 N PHE A 70 -9.019 -0.016 8.103 1.00 0.00 N ATOM 1142 CA PHE A 70 -8.751 -1.017 7.082 1.00 0.00 C ATOM 1143 C PHE A 70 -10.040 -1.729 6.712 1.00 0.00 C ATOM 1144 O PHE A 70 -10.840 -2.068 7.587 1.00 0.00 O ATOM 1145 CB PHE A 70 -7.686 -2.030 7.559 1.00 0.00 C ATOM 1146 CG PHE A 70 -8.059 -2.800 8.807 1.00 0.00 C ATOM 1147 CD1 PHE A 70 -8.589 -4.079 8.717 1.00 0.00 C ATOM 1148 CD2 PHE A 70 -7.876 -2.243 10.066 1.00 0.00 C ATOM 1149 CE1 PHE A 70 -8.929 -4.786 9.855 1.00 0.00 C ATOM 1150 CE2 PHE A 70 -8.216 -2.945 11.206 1.00 0.00 C ATOM 1151 CZ PHE A 70 -8.742 -4.218 11.100 1.00 0.00 C ATOM 0 H PHE A 70 -9.907 -0.144 8.587 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.355 -0.515 6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.494 -2.740 6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.754 -1.496 7.743 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.738 -4.528 7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.463 -1.249 10.155 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -9.340 -5.781 9.771 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.071 -2.499 12.179 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.007 -4.769 11.990 1.00 0.00 H new ATOM 1161 N GLU A 71 -10.254 -1.938 5.431 1.00 0.00 N ATOM 1162 CA GLU A 71 -11.456 -2.601 4.962 1.00 0.00 C ATOM 1163 C GLU A 71 -11.202 -3.203 3.581 1.00 0.00 C ATOM 1164 O GLU A 71 -11.577 -2.619 2.561 1.00 0.00 O ATOM 1165 CB GLU A 71 -12.620 -1.593 4.914 1.00 0.00 C ATOM 1166 CG GLU A 71 -14.001 -2.192 5.168 1.00 0.00 C ATOM 1167 CD GLU A 71 -14.503 -3.064 4.041 1.00 0.00 C ATOM 1168 OE1 GLU A 71 -14.943 -2.513 3.009 1.00 0.00 O ATOM 1169 OE2 GLU A 71 -14.497 -4.296 4.193 1.00 0.00 O ATOM 0 H GLU A 71 -9.610 -1.658 4.691 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.724 -3.405 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.437 -0.813 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.624 -1.111 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.968 -2.781 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.713 -1.383 5.334 1.00 0.00 H new ATOM 1176 N PRO A 72 -10.515 -4.359 3.530 1.00 0.00 N ATOM 1177 CA PRO A 72 -10.199 -5.025 2.274 1.00 0.00 C ATOM 1178 C PRO A 72 -11.417 -5.663 1.648 1.00 0.00 C ATOM 1179 O PRO A 72 -11.894 -6.717 2.082 1.00 0.00 O ATOM 1180 CB PRO A 72 -9.158 -6.075 2.662 1.00 0.00 C ATOM 1181 CG PRO A 72 -9.427 -6.366 4.100 1.00 0.00 C ATOM 1182 CD PRO A 72 -9.991 -5.100 4.697 1.00 0.00 C ATOM 0 HA PRO A 72 -9.832 -4.326 1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.256 -6.973 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.145 -5.700 2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.132 -7.191 4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.512 -6.663 4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.778 -5.315 5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.224 -4.529 5.221 1.00 0.00 H new ATOM 1190 N SER A 73 -11.919 -5.005 0.646 1.00 0.00 N ATOM 1191 CA SER A 73 -13.079 -5.448 -0.064 1.00 0.00 C ATOM 1192 C SER A 73 -12.710 -6.493 -1.116 1.00 0.00 C ATOM 1193 O SER A 73 -11.544 -6.618 -1.501 1.00 0.00 O ATOM 1194 CB SER A 73 -13.726 -4.248 -0.716 1.00 0.00 C ATOM 1195 OG SER A 73 -14.183 -3.331 0.260 1.00 0.00 O ATOM 0 H SER A 73 -11.527 -4.132 0.294 1.00 0.00 H new ATOM 0 HA SER A 73 -13.775 -5.916 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.011 -3.757 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.562 -4.572 -1.336 1.00 0.00 H new ATOM 0 HG SER A 73 -14.126 -3.742 1.148 1.00 0.00 H new ATOM 1201 N GLU A 74 -13.703 -7.240 -1.568 1.00 0.00 N ATOM 1202 CA GLU A 74 -13.494 -8.259 -2.581 1.00 0.00 C ATOM 1203 C GLU A 74 -13.268 -7.608 -3.950 1.00 0.00 C ATOM 1204 O GLU A 74 -13.773 -6.514 -4.221 1.00 0.00 O ATOM 1205 CB GLU A 74 -14.692 -9.222 -2.619 1.00 0.00 C ATOM 1206 CG GLU A 74 -14.573 -10.353 -3.637 1.00 0.00 C ATOM 1207 CD GLU A 74 -13.312 -11.170 -3.461 1.00 0.00 C ATOM 1208 OE1 GLU A 74 -13.331 -12.140 -2.687 1.00 0.00 O ATOM 1209 OE2 GLU A 74 -12.291 -10.838 -4.100 1.00 0.00 O ATOM 0 H GLU A 74 -14.668 -7.158 -1.247 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.603 -8.834 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.822 -9.657 -1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.594 -8.649 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.440 -11.008 -3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.591 -9.934 -4.643 1.00 0.00 H new ATOM 1216 N THR A 75 -12.512 -8.276 -4.792 1.00 0.00 N ATOM 1217 CA THR A 75 -12.174 -7.766 -6.099 1.00 0.00 C ATOM 1218 C THR A 75 -13.310 -8.033 -7.093 1.00 0.00 C ATOM 1219 O THR A 75 -13.601 -9.182 -7.427 1.00 0.00 O ATOM 1220 CB THR A 75 -10.879 -8.421 -6.613 1.00 0.00 C ATOM 1221 OG1 THR A 75 -9.917 -8.491 -5.542 1.00 0.00 O ATOM 1222 CG2 THR A 75 -10.290 -7.614 -7.762 1.00 0.00 C ATOM 0 H THR A 75 -12.113 -9.192 -4.587 1.00 0.00 H new ATOM 0 HA THR A 75 -12.023 -6.690 -6.012 1.00 0.00 H new ATOM 0 HB THR A 75 -11.115 -9.424 -6.969 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.093 -8.910 -5.869 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.375 -8.093 -8.112 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.010 -7.566 -8.579 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.063 -6.605 -7.419 1.00 0.00 H new ATOM 1230 N THR A 76 -13.950 -6.971 -7.552 1.00 0.00 N ATOM 1231 CA THR A 76 -15.057 -7.090 -8.483 1.00 0.00 C ATOM 1232 C THR A 76 -14.596 -6.800 -9.917 1.00 0.00 C ATOM 1233 O THR A 76 -13.777 -5.904 -10.138 1.00 0.00 O ATOM 1234 CB THR A 76 -16.179 -6.100 -8.109 1.00 0.00 C ATOM 1235 OG1 THR A 76 -16.370 -6.112 -6.685 1.00 0.00 O ATOM 1236 CG2 THR A 76 -17.486 -6.474 -8.795 1.00 0.00 C ATOM 0 H THR A 76 -13.720 -6.012 -7.293 1.00 0.00 H new ATOM 0 HA THR A 76 -15.433 -8.112 -8.426 1.00 0.00 H new ATOM 0 HB THR A 76 -15.886 -5.104 -8.440 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.081 -5.482 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 76 -18.261 -5.761 -8.515 1.00 0.00 H new ATOM 0 HG22 THR A 76 -17.348 -6.454 -9.876 1.00 0.00 H new ATOM 0 HG23 THR A 76 -17.786 -7.475 -8.486 1.00 0.00 H new ATOM 1244 N ALA A 77 -15.113 -7.585 -10.876 1.00 0.00 N ATOM 1245 CA ALA A 77 -14.822 -7.400 -12.306 1.00 0.00 C ATOM 1246 C ALA A 77 -13.330 -7.528 -12.609 1.00 0.00 C ATOM 1247 O ALA A 77 -12.789 -6.802 -13.455 1.00 0.00 O ATOM 1248 CB ALA A 77 -15.353 -6.054 -12.785 1.00 0.00 C ATOM 0 H ALA A 77 -15.743 -8.364 -10.682 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.331 -8.196 -12.849 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.130 -5.931 -13.845 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -16.432 -6.014 -12.634 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.877 -5.253 -12.219 1.00 0.00 H new ATOM 1254 N LYS A 78 -12.670 -8.453 -11.937 1.00 0.00 N ATOM 1255 CA LYS A 78 -11.256 -8.668 -12.157 1.00 0.00 C ATOM 1256 C LYS A 78 -11.021 -9.389 -13.475 1.00 0.00 C ATOM 1257 O LYS A 78 -11.693 -10.374 -13.785 1.00 0.00 O ATOM 1258 CB LYS A 78 -10.630 -9.467 -11.011 1.00 0.00 C ATOM 1259 CG LYS A 78 -9.146 -9.735 -11.214 1.00 0.00 C ATOM 1260 CD LYS A 78 -8.565 -10.611 -10.122 1.00 0.00 C ATOM 1261 CE LYS A 78 -7.115 -10.974 -10.427 1.00 0.00 C ATOM 1262 NZ LYS A 78 -6.978 -11.687 -11.730 1.00 0.00 N ATOM 0 H LYS A 78 -13.090 -9.064 -11.237 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.778 -7.689 -12.196 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.771 -8.923 -10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.154 -10.417 -10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.995 -10.215 -12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.608 -8.787 -11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.620 -10.091 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.159 -11.520 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.511 -10.067 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.723 -11.602 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.029 -12.106 -11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.694 -12.439 -11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.116 -11.014 -12.510 1.00 0.00 H new ATOM 1276 N SER A 79 -10.088 -8.882 -14.248 1.00 0.00 N ATOM 1277 CA SER A 79 -9.722 -9.494 -15.498 1.00 0.00 C ATOM 1278 C SER A 79 -9.024 -10.829 -15.229 1.00 0.00 C ATOM 1279 O SER A 79 -7.964 -10.823 -14.562 1.00 0.00 O ATOM 1280 CB SER A 79 -8.805 -8.557 -16.278 1.00 0.00 C ATOM 1281 OG SER A 79 -9.318 -7.227 -16.265 1.00 0.00 O ATOM 1282 OXT SER A 79 -9.533 -11.872 -15.670 1.00 0.00 O ATOM 0 H SER A 79 -9.564 -8.035 -14.026 1.00 0.00 H new ATOM 0 HA SER A 79 -10.617 -9.680 -16.092 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.806 -8.571 -15.842 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.709 -8.906 -17.306 1.00 0.00 H new ATOM 0 HG SER A 79 -8.716 -6.639 -16.768 1.00 0.00 H new TER 1288 SER A 79