USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 277 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 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0218) USER MOD Single : A 43 LYS NZ :NH3+ -137:sc= -0.035 (180deg=-1.05) USER MOD Single : A 48 ASN : amide:sc= 0.0705 K(o=0.07,f=-0.55) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc=-0.00471 (180deg=-0.118) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -121:sc= 0.194 USER MOD Single : A 63 SER OG : rot 170:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 69 LYS NZ :NH3+ -114:sc= 0.602 (180deg=-0.364) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 37 29.131 27.976 15.315 1.00 20.00 N ATOM 2 CA LEU A 37 29.766 29.094 15.993 1.00 20.00 C ATOM 3 C LEU A 37 28.754 30.106 16.536 1.00 20.00 C ATOM 4 O LEU A 37 28.979 30.647 17.614 1.00 20.00 O ATOM 5 CB LEU A 37 30.837 29.758 15.103 1.00 20.00 C ATOM 6 CG LEU A 37 30.334 30.531 13.847 1.00 20.00 C ATOM 7 CD1 LEU A 37 30.128 32.042 14.135 1.00 20.00 C ATOM 8 CD2 LEU A 37 31.350 30.385 12.691 1.00 20.00 C ATOM 0 HA LEU A 37 30.277 28.686 16.865 1.00 20.00 H new ATOM 0 HB2 LEU A 37 31.408 30.451 15.721 1.00 20.00 H new ATOM 0 HB3 LEU A 37 31.528 28.984 14.770 1.00 20.00 H new ATOM 0 HG LEU A 37 29.373 30.097 13.571 1.00 20.00 H new ATOM 0 HD11 LEU A 37 29.777 32.540 13.231 1.00 20.00 H new ATOM 0 HD12 LEU A 37 29.389 32.164 14.927 1.00 20.00 H new ATOM 0 HD13 LEU A 37 31.073 32.485 14.450 1.00 20.00 H new ATOM 0 HD21 LEU A 37 30.989 30.929 11.818 1.00 20.00 H new ATOM 0 HD22 LEU A 37 32.313 30.792 12.999 1.00 20.00 H new ATOM 0 HD23 LEU A 37 31.466 29.331 12.439 1.00 20.00 H new ATOM 20 N THR A 38 27.634 30.339 15.838 1.00 20.00 N ATOM 21 CA THR A 38 26.648 31.378 16.136 1.00 20.00 C ATOM 22 C THR A 38 25.820 31.067 17.402 1.00 20.00 C ATOM 23 O THR A 38 25.377 32.000 18.073 1.00 20.00 O ATOM 24 CB THR A 38 25.739 31.558 14.902 1.00 20.00 C ATOM 25 OG1 THR A 38 26.527 31.804 13.758 1.00 20.00 O ATOM 26 CG2 THR A 38 24.767 32.725 15.038 1.00 20.00 C ATOM 0 H THR A 38 27.384 29.785 15.019 1.00 20.00 H new ATOM 0 HA THR A 38 27.176 32.307 16.351 1.00 20.00 H new ATOM 0 HB THR A 38 25.167 30.635 14.815 1.00 20.00 H new ATOM 0 HG1 THR A 38 25.945 31.916 12.978 1.00 20.00 H new ATOM 0 HG21 THR A 38 24.157 32.797 14.138 1.00 20.00 H new ATOM 0 HG22 THR A 38 24.122 32.562 15.901 1.00 20.00 H new ATOM 0 HG23 THR A 38 25.326 33.651 15.173 1.00 20.00 H new ATOM 34 N GLY A 39 25.639 29.783 17.752 1.00 20.00 N ATOM 35 CA GLY A 39 24.853 29.312 18.890 1.00 20.00 C ATOM 36 C GLY A 39 25.578 28.325 19.812 1.00 20.00 C ATOM 37 O GLY A 39 25.155 28.162 20.953 1.00 20.00 O ATOM 0 H GLY A 39 26.057 29.017 17.223 1.00 20.00 H new ATOM 0 HA2 GLY A 39 24.541 30.174 19.479 1.00 20.00 H new ATOM 0 HA3 GLY A 39 23.946 28.837 18.515 1.00 20.00 H new ATOM 41 N CYS A 40 26.673 27.701 19.361 1.00 20.00 N ATOM 42 CA CYS A 40 27.548 26.838 20.157 1.00 20.00 C ATOM 43 C CYS A 40 29.010 27.067 19.758 1.00 20.00 C ATOM 44 O CYS A 40 29.291 27.462 18.628 1.00 20.00 O ATOM 45 CB CYS A 40 27.201 25.356 19.952 1.00 20.00 C ATOM 46 SG CYS A 40 25.449 24.916 19.920 1.00 20.00 S ATOM 0 H CYS A 40 26.984 27.788 18.394 1.00 20.00 H new ATOM 0 HA CYS A 40 27.402 27.091 21.207 1.00 20.00 H new ATOM 0 HB2 CYS A 40 27.648 25.031 19.013 1.00 20.00 H new ATOM 0 HB3 CYS A 40 27.679 24.784 20.747 1.00 20.00 H new ATOM 51 N LYS A 41 29.951 26.773 20.663 1.00 20.00 N ATOM 52 CA LYS A 41 31.378 26.971 20.473 1.00 20.00 C ATOM 53 C LYS A 41 31.950 25.952 19.482 1.00 20.00 C ATOM 54 O LYS A 41 32.483 26.368 18.457 1.00 20.00 O ATOM 55 CB LYS A 41 32.045 26.938 21.857 1.00 20.00 C ATOM 56 CG LYS A 41 33.575 27.014 21.838 1.00 20.00 C ATOM 57 CD LYS A 41 34.116 28.267 21.128 1.00 20.00 C ATOM 58 CE LYS A 41 35.633 28.410 21.273 1.00 20.00 C ATOM 59 NZ LYS A 41 36.020 28.816 22.629 1.00 20.00 N ATOM 0 H LYS A 41 29.724 26.378 21.576 1.00 20.00 H new ATOM 0 HA LYS A 41 31.584 27.941 20.020 1.00 20.00 H new ATOM 0 HB2 LYS A 41 31.662 27.769 22.449 1.00 20.00 H new ATOM 0 HB3 LYS A 41 31.748 26.021 22.366 1.00 20.00 H new ATOM 0 HG2 LYS A 41 33.945 26.998 22.863 1.00 20.00 H new ATOM 0 HG3 LYS A 41 33.969 26.126 21.343 1.00 20.00 H new ATOM 0 HD2 LYS A 41 33.857 28.222 20.070 1.00 20.00 H new ATOM 0 HD3 LYS A 41 33.629 29.152 21.538 1.00 20.00 H new ATOM 0 HE2 LYS A 41 36.112 27.462 21.028 1.00 20.00 H new ATOM 0 HE3 LYS A 41 35.998 29.146 20.556 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 37.043 29.000 22.658 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 35.505 29.680 22.893 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 35.786 28.056 23.299 1.00 20.00 H new ATOM 73 N GLY A 42 31.829 24.644 19.760 1.00 20.00 N ATOM 74 CA GLY A 42 32.206 23.596 18.810 1.00 20.00 C ATOM 75 C GLY A 42 32.448 22.213 19.420 1.00 20.00 C ATOM 76 O GLY A 42 32.366 21.226 18.689 1.00 20.00 O ATOM 0 H GLY A 42 31.469 24.289 20.646 1.00 20.00 H new ATOM 0 HA2 GLY A 42 31.421 23.511 18.059 1.00 20.00 H new ATOM 0 HA3 GLY A 42 33.112 23.909 18.290 1.00 20.00 H new ATOM 80 N LYS A 43 32.719 22.117 20.731 1.00 20.00 N ATOM 81 CA LYS A 43 32.938 20.843 21.425 1.00 20.00 C ATOM 82 C LYS A 43 31.626 20.104 21.754 1.00 20.00 C ATOM 83 O LYS A 43 31.675 18.915 22.070 1.00 20.00 O ATOM 84 CB LYS A 43 33.762 21.072 22.704 1.00 20.00 C ATOM 85 CG LYS A 43 35.185 21.577 22.440 1.00 20.00 C ATOM 86 CD LYS A 43 35.967 21.903 23.721 1.00 20.00 C ATOM 87 CE LYS A 43 36.256 20.706 24.630 1.00 20.00 C ATOM 88 NZ LYS A 43 35.146 20.410 25.557 1.00 20.00 N ATOM 0 H LYS A 43 32.792 22.930 21.343 1.00 20.00 H new ATOM 0 HA LYS A 43 33.494 20.201 20.742 1.00 20.00 H new ATOM 0 HB2 LYS A 43 33.242 21.792 23.336 1.00 20.00 H new ATOM 0 HB3 LYS A 43 33.816 20.138 23.263 1.00 20.00 H new ATOM 0 HG2 LYS A 43 35.730 20.823 21.873 1.00 20.00 H new ATOM 0 HG3 LYS A 43 35.135 22.470 21.817 1.00 20.00 H new ATOM 0 HD2 LYS A 43 36.914 22.364 23.442 1.00 20.00 H new ATOM 0 HD3 LYS A 43 35.407 22.645 24.291 1.00 20.00 H new ATOM 0 HE2 LYS A 43 36.454 19.828 24.015 1.00 20.00 H new ATOM 0 HE3 LYS A 43 37.161 20.902 25.205 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 35.529 20.203 26.502 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 34.512 21.232 25.613 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 34.614 19.586 25.210 1.00 20.00 H new ATOM 102 N GLY A 44 30.473 20.783 21.648 1.00 20.00 N ATOM 103 CA GLY A 44 29.131 20.232 21.831 1.00 20.00 C ATOM 104 C GLY A 44 28.144 21.216 22.475 1.00 20.00 C ATOM 105 O GLY A 44 26.939 20.976 22.413 1.00 20.00 O ATOM 0 H GLY A 44 30.456 21.777 21.422 1.00 20.00 H new ATOM 0 HA2 GLY A 44 28.740 19.920 20.862 1.00 20.00 H new ATOM 0 HA3 GLY A 44 29.196 19.338 22.451 1.00 20.00 H new ATOM 109 N GLY A 45 28.640 22.312 23.067 1.00 20.00 N ATOM 110 CA GLY A 45 27.867 23.274 23.838 1.00 20.00 C ATOM 111 C GLY A 45 27.478 22.738 25.220 1.00 20.00 C ATOM 112 O GLY A 45 27.756 21.587 25.560 1.00 20.00 O ATOM 0 H GLY A 45 29.629 22.554 23.015 1.00 20.00 H new ATOM 0 HA2 GLY A 45 28.446 24.190 23.956 1.00 20.00 H new ATOM 0 HA3 GLY A 45 26.965 23.537 23.286 1.00 20.00 H new ATOM 116 N GLU A 46 26.835 23.592 26.027 1.00 20.00 N ATOM 117 CA GLU A 46 26.272 23.212 27.319 1.00 20.00 C ATOM 118 C GLU A 46 24.993 22.406 27.106 1.00 20.00 C ATOM 119 O GLU A 46 24.022 22.885 26.516 1.00 20.00 O ATOM 120 CB GLU A 46 26.019 24.433 28.205 1.00 20.00 C ATOM 121 CG GLU A 46 27.352 24.942 28.763 1.00 20.00 C ATOM 122 CD GLU A 46 27.177 26.188 29.629 1.00 20.00 C ATOM 123 OE1 GLU A 46 26.599 26.051 30.731 1.00 20.00 O ATOM 124 OE2 GLU A 46 27.635 27.264 29.185 1.00 20.00 O ATOM 0 H GLU A 46 26.692 24.575 25.794 1.00 20.00 H new ATOM 0 HA GLU A 46 26.997 22.589 27.842 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.529 25.219 27.629 1.00 20.00 H new ATOM 0 HB3 GLU A 46 25.347 24.170 29.022 1.00 20.00 H new ATOM 0 HG2 GLU A 46 27.821 24.155 29.353 1.00 20.00 H new ATOM 0 HG3 GLU A 46 28.027 25.167 27.937 1.00 20.00 H new ATOM 131 N CYS A 47 25.042 21.166 27.590 1.00 20.00 N ATOM 132 CA CYS A 47 24.072 20.117 27.328 1.00 20.00 C ATOM 133 C CYS A 47 22.917 20.195 28.334 1.00 20.00 C ATOM 134 O CYS A 47 22.935 19.558 29.393 1.00 20.00 O ATOM 135 CB CYS A 47 24.778 18.759 27.324 1.00 20.00 C ATOM 136 SG CYS A 47 26.064 18.644 26.045 1.00 20.00 S ATOM 0 H CYS A 47 25.796 20.856 28.203 1.00 20.00 H new ATOM 0 HA CYS A 47 23.627 20.252 26.342 1.00 20.00 H new ATOM 0 HB2 CYS A 47 25.227 18.584 28.302 1.00 20.00 H new ATOM 0 HB3 CYS A 47 24.042 17.971 27.165 1.00 20.00 H new ATOM 141 N ASN A 48 21.923 21.011 27.970 1.00 20.00 N ATOM 142 CA ASN A 48 20.720 21.288 28.731 1.00 20.00 C ATOM 143 C ASN A 48 19.626 20.255 28.399 1.00 20.00 C ATOM 144 O ASN A 48 19.687 19.623 27.340 1.00 20.00 O ATOM 145 CB ASN A 48 20.244 22.712 28.381 1.00 20.00 C ATOM 146 CG ASN A 48 21.010 23.792 29.137 1.00 20.00 C ATOM 147 OD1 ASN A 48 20.439 24.512 29.949 1.00 20.00 O ATOM 148 ND2 ASN A 48 22.308 23.933 28.885 1.00 20.00 N ATOM 0 H ASN A 48 21.946 21.520 27.086 1.00 20.00 H new ATOM 0 HA ASN A 48 20.929 21.219 29.799 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.357 22.875 27.309 1.00 20.00 H new ATOM 0 HB3 ASN A 48 19.181 22.801 28.607 1.00 20.00 H new ATOM 0 HD21 ASN A 48 22.847 24.650 29.371 1.00 20.00 H new ATOM 0 HD22 ASN A 48 22.765 23.324 28.206 1.00 20.00 H new ATOM 155 N PRO A 49 18.589 20.117 29.250 1.00 20.00 N ATOM 156 CA PRO A 49 17.402 19.344 28.918 1.00 20.00 C ATOM 157 C PRO A 49 16.606 20.042 27.809 1.00 20.00 C ATOM 158 O PRO A 49 16.677 21.261 27.650 1.00 20.00 O ATOM 159 CB PRO A 49 16.600 19.237 30.219 1.00 20.00 C ATOM 160 CG PRO A 49 16.988 20.501 30.976 1.00 20.00 C ATOM 161 CD PRO A 49 18.439 20.740 30.555 1.00 20.00 C ATOM 0 HA PRO A 49 17.647 18.353 28.535 1.00 20.00 H new ATOM 0 HB2 PRO A 49 15.528 19.196 30.028 1.00 20.00 H new ATOM 0 HB3 PRO A 49 16.859 18.338 30.778 1.00 20.00 H new ATOM 0 HG2 PRO A 49 16.349 21.342 30.707 1.00 20.00 H new ATOM 0 HG3 PRO A 49 16.900 20.366 32.054 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.660 21.806 30.505 1.00 20.00 H new ATOM 0 HD3 PRO A 49 19.131 20.305 31.276 1.00 20.00 H new ATOM 169 N LEU A 50 15.824 19.255 27.064 1.00 20.00 N ATOM 170 CA LEU A 50 14.989 19.722 25.962 1.00 20.00 C ATOM 171 C LEU A 50 13.921 20.702 26.462 1.00 20.00 C ATOM 172 O LEU A 50 13.654 21.706 25.802 1.00 20.00 O ATOM 173 CB LEU A 50 14.331 18.506 25.292 1.00 20.00 C ATOM 174 CG LEU A 50 15.332 17.494 24.684 1.00 20.00 C ATOM 175 CD1 LEU A 50 14.620 16.147 24.504 1.00 20.00 C ATOM 176 CD2 LEU A 50 15.902 17.965 23.340 1.00 20.00 C ATOM 0 H LEU A 50 15.755 18.249 27.218 1.00 20.00 H new ATOM 0 HA LEU A 50 15.609 20.252 25.239 1.00 20.00 H new ATOM 0 HB2 LEU A 50 13.713 17.991 26.028 1.00 20.00 H new ATOM 0 HB3 LEU A 50 13.664 18.857 24.505 1.00 20.00 H new ATOM 0 HG LEU A 50 16.175 17.400 25.369 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.314 15.423 24.076 1.00 20.00 H new ATOM 0 HD12 LEU A 50 14.272 15.787 25.472 1.00 20.00 H new ATOM 0 HD13 LEU A 50 13.768 16.272 23.836 1.00 20.00 H new ATOM 0 HD21 LEU A 50 16.598 17.218 22.958 1.00 20.00 H new ATOM 0 HD22 LEU A 50 15.089 18.101 22.627 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.425 18.911 23.478 1.00 20.00 H new ATOM 188 N ASP A 51 13.352 20.426 27.643 1.00 20.00 N ATOM 189 CA ASP A 51 12.393 21.273 28.342 1.00 20.00 C ATOM 190 C ASP A 51 13.110 22.416 29.085 1.00 20.00 C ATOM 191 O ASP A 51 13.075 22.498 30.314 1.00 20.00 O ATOM 192 CB ASP A 51 11.523 20.396 29.264 1.00 20.00 C ATOM 193 CG ASP A 51 10.306 21.144 29.818 1.00 20.00 C ATOM 194 OD1 ASP A 51 9.370 21.376 29.022 1.00 20.00 O ATOM 195 OD2 ASP A 51 10.311 21.465 31.028 1.00 20.00 O ATOM 0 H ASP A 51 13.560 19.568 28.154 1.00 20.00 H new ATOM 0 HA ASP A 51 11.728 21.758 27.627 1.00 20.00 H new ATOM 0 HB2 ASP A 51 11.185 19.520 28.711 1.00 20.00 H new ATOM 0 HB3 ASP A 51 12.131 20.035 30.094 1.00 20.00 H new ATOM 200 N ARG A 52 13.760 23.311 28.326 1.00 20.00 N ATOM 201 CA ARG A 52 14.415 24.514 28.830 1.00 20.00 C ATOM 202 C ARG A 52 14.049 25.740 27.994 1.00 20.00 C ATOM 203 O ARG A 52 13.851 25.642 26.783 1.00 20.00 O ATOM 204 CB ARG A 52 15.931 24.286 28.827 1.00 20.00 C ATOM 205 CG ARG A 52 16.727 25.306 29.649 1.00 20.00 C ATOM 206 CD ARG A 52 16.343 25.200 31.128 1.00 20.00 C ATOM 207 NE ARG A 52 17.398 25.725 31.991 1.00 20.00 N ATOM 208 CZ ARG A 52 17.322 25.878 33.320 1.00 20.00 C ATOM 209 NH1 ARG A 52 16.214 25.566 33.997 1.00 20.00 N ATOM 210 NH2 ARG A 52 18.376 26.341 33.989 1.00 20.00 N ATOM 0 H ARG A 52 13.843 23.209 27.315 1.00 20.00 H new ATOM 0 HA ARG A 52 14.073 24.708 29.847 1.00 20.00 H new ATOM 0 HB2 ARG A 52 16.137 23.287 29.212 1.00 20.00 H new ATOM 0 HB3 ARG A 52 16.288 24.310 27.797 1.00 20.00 H new ATOM 0 HG2 ARG A 52 17.796 25.128 29.528 1.00 20.00 H new ATOM 0 HG3 ARG A 52 16.528 26.314 29.284 1.00 20.00 H new ATOM 0 HD2 ARG A 52 15.418 25.749 31.306 1.00 20.00 H new ATOM 0 HD3 ARG A 52 16.148 24.158 31.381 1.00 20.00 H new ATOM 0 HE ARG A 52 18.271 26.000 31.541 1.00 20.00 H new ATOM 0 HH11 ARG A 52 15.400 25.202 33.502 1.00 20.00 H new ATOM 0 HH12 ARG A 52 16.182 25.692 35.009 1.00 20.00 H new ATOM 0 HH21 ARG A 52 19.234 26.577 33.490 1.00 20.00 H new ATOM 0 HH22 ARG A 52 18.326 26.460 35.001 1.00 20.00 H new ATOM 224 N GLN A 53 14.034 26.904 28.656 1.00 20.00 N ATOM 225 CA GLN A 53 13.770 28.234 28.110 1.00 20.00 C ATOM 226 C GLN A 53 14.907 28.814 27.242 1.00 20.00 C ATOM 227 O GLN A 53 14.977 30.028 27.050 1.00 20.00 O ATOM 228 CB GLN A 53 13.370 29.171 29.272 1.00 20.00 C ATOM 229 CG GLN A 53 14.507 29.464 30.270 1.00 20.00 C ATOM 230 CD GLN A 53 14.026 30.300 31.456 1.00 20.00 C ATOM 231 OE1 GLN A 53 13.854 29.782 32.555 1.00 20.00 O ATOM 232 NE2 GLN A 53 13.812 31.598 31.250 1.00 20.00 N ATOM 0 H GLN A 53 14.220 26.939 29.658 1.00 20.00 H new ATOM 0 HA GLN A 53 12.945 28.143 27.404 1.00 20.00 H new ATOM 0 HB2 GLN A 53 13.015 30.114 28.857 1.00 20.00 H new ATOM 0 HB3 GLN A 53 12.534 28.725 29.812 1.00 20.00 H new ATOM 0 HG2 GLN A 53 14.922 28.524 30.634 1.00 20.00 H new ATOM 0 HG3 GLN A 53 15.312 29.991 29.758 1.00 20.00 H new ATOM 0 HE21 GLN A 53 13.964 31.999 30.325 1.00 20.00 H new ATOM 0 HE22 GLN A 53 13.496 32.191 32.018 1.00 20.00 H new ATOM 241 N CYS A 54 15.795 27.962 26.717 1.00 20.00 N ATOM 242 CA CYS A 54 16.948 28.329 25.905 1.00 20.00 C ATOM 243 C CYS A 54 16.765 27.910 24.438 1.00 20.00 C ATOM 244 O CYS A 54 15.789 27.250 24.080 1.00 20.00 O ATOM 245 CB CYS A 54 18.189 27.694 26.536 1.00 20.00 C ATOM 246 SG CYS A 54 19.765 28.457 26.106 1.00 20.00 S ATOM 0 H CYS A 54 15.721 26.954 26.856 1.00 20.00 H new ATOM 0 HA CYS A 54 17.063 29.413 25.888 1.00 20.00 H new ATOM 0 HB2 CYS A 54 18.077 27.722 27.620 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.224 26.644 26.246 1.00 20.00 H new ATOM 251 N LYS A 55 17.728 28.296 23.593 1.00 20.00 N ATOM 252 CA LYS A 55 17.814 27.961 22.171 1.00 20.00 C ATOM 253 C LYS A 55 18.030 26.450 21.983 1.00 20.00 C ATOM 254 O LYS A 55 18.489 25.771 22.899 1.00 20.00 O ATOM 255 CB LYS A 55 18.951 28.799 21.555 1.00 20.00 C ATOM 256 CG LYS A 55 19.027 28.695 20.024 1.00 20.00 C ATOM 257 CD LYS A 55 20.023 29.681 19.396 1.00 20.00 C ATOM 258 CE LYS A 55 19.603 31.151 19.522 1.00 20.00 C ATOM 259 NZ LYS A 55 18.336 31.429 18.831 1.00 20.00 N ATOM 0 H LYS A 55 18.506 28.880 23.900 1.00 20.00 H new ATOM 0 HA LYS A 55 16.882 28.200 21.659 1.00 20.00 H new ATOM 0 HB2 LYS A 55 18.814 29.844 21.834 1.00 20.00 H new ATOM 0 HB3 LYS A 55 19.901 28.477 21.981 1.00 20.00 H new ATOM 0 HG2 LYS A 55 19.311 27.679 19.750 1.00 20.00 H new ATOM 0 HG3 LYS A 55 18.037 28.874 19.605 1.00 20.00 H new ATOM 0 HD2 LYS A 55 20.997 29.549 19.868 1.00 20.00 H new ATOM 0 HD3 LYS A 55 20.145 29.437 18.341 1.00 20.00 H new ATOM 0 HE2 LYS A 55 19.504 31.409 20.576 1.00 20.00 H new ATOM 0 HE3 LYS A 55 20.386 31.787 19.110 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 18.177 32.456 18.797 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 18.379 31.053 17.862 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 17.554 30.975 19.344 1.00 20.00 H new ATOM 273 N GLU A 56 17.726 25.934 20.785 1.00 20.00 N ATOM 274 CA GLU A 56 17.992 24.566 20.350 1.00 20.00 C ATOM 275 C GLU A 56 18.453 24.580 18.889 1.00 20.00 C ATOM 276 O GLU A 56 17.682 24.914 17.989 1.00 20.00 O ATOM 277 CB GLU A 56 16.742 23.695 20.555 1.00 20.00 C ATOM 278 CG GLU A 56 16.929 22.269 20.011 1.00 20.00 C ATOM 279 CD GLU A 56 15.716 21.393 20.303 1.00 20.00 C ATOM 280 OE1 GLU A 56 15.835 20.506 21.175 1.00 20.00 O ATOM 281 OE2 GLU A 56 14.676 21.616 19.645 1.00 20.00 O ATOM 0 H GLU A 56 17.267 26.489 20.063 1.00 20.00 H new ATOM 0 HA GLU A 56 18.790 24.130 20.950 1.00 20.00 H new ATOM 0 HB2 GLU A 56 16.505 23.648 21.618 1.00 20.00 H new ATOM 0 HB3 GLU A 56 15.891 24.162 20.059 1.00 20.00 H new ATOM 0 HG2 GLU A 56 17.099 22.309 18.935 1.00 20.00 H new ATOM 0 HG3 GLU A 56 17.817 21.822 20.458 1.00 20.00 H new ATOM 288 N LEU A 57 19.716 24.197 18.668 1.00 20.00 N ATOM 289 CA LEU A 57 20.333 24.023 17.354 1.00 20.00 C ATOM 290 C LEU A 57 19.807 22.752 16.659 1.00 20.00 C ATOM 291 O LEU A 57 19.037 21.992 17.246 1.00 20.00 O ATOM 292 CB LEU A 57 21.866 23.972 17.521 1.00 20.00 C ATOM 293 CG LEU A 57 22.576 25.316 17.796 1.00 20.00 C ATOM 294 CD1 LEU A 57 22.416 26.322 16.647 1.00 20.00 C ATOM 295 CD2 LEU A 57 22.180 25.986 19.120 1.00 20.00 C ATOM 0 H LEU A 57 20.359 23.992 19.433 1.00 20.00 H new ATOM 0 HA LEU A 57 20.070 24.868 16.718 1.00 20.00 H new ATOM 0 HB2 LEU A 57 22.097 23.291 18.340 1.00 20.00 H new ATOM 0 HB3 LEU A 57 22.293 23.540 16.616 1.00 20.00 H new ATOM 0 HG LEU A 57 23.626 25.033 17.878 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.936 27.247 16.898 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.841 25.903 15.735 1.00 20.00 H new ATOM 0 HD13 LEU A 57 21.358 26.532 16.492 1.00 20.00 H new ATOM 0 HD21 LEU A 57 22.726 26.923 19.231 1.00 20.00 H new ATOM 0 HD22 LEU A 57 21.109 26.188 19.119 1.00 20.00 H new ATOM 0 HD23 LEU A 57 22.424 25.323 19.950 1.00 20.00 H new ATOM 307 N GLN A 58 20.227 22.519 15.405 1.00 20.00 N ATOM 308 CA GLN A 58 19.762 21.408 14.567 1.00 20.00 C ATOM 309 C GLN A 58 20.863 20.414 14.186 1.00 20.00 C ATOM 310 O GLN A 58 20.561 19.261 13.883 1.00 20.00 O ATOM 311 CB GLN A 58 19.039 21.974 13.334 1.00 20.00 C ATOM 312 CG GLN A 58 19.938 22.722 12.335 1.00 20.00 C ATOM 313 CD GLN A 58 19.135 23.299 11.167 1.00 20.00 C ATOM 314 OE1 GLN A 58 18.194 24.065 11.363 1.00 20.00 O ATOM 315 NE2 GLN A 58 19.507 22.952 9.936 1.00 20.00 N ATOM 0 H GLN A 58 20.914 23.112 14.938 1.00 20.00 H new ATOM 0 HA GLN A 58 19.063 20.819 15.160 1.00 20.00 H new ATOM 0 HB2 GLN A 58 18.547 21.153 12.812 1.00 20.00 H new ATOM 0 HB3 GLN A 58 18.255 22.652 13.671 1.00 20.00 H new ATOM 0 HG2 GLN A 58 20.461 23.528 12.850 1.00 20.00 H new ATOM 0 HG3 GLN A 58 20.699 22.042 11.952 1.00 20.00 H new ATOM 0 HE21 GLN A 58 20.292 22.314 9.801 1.00 20.00 H new ATOM 0 HE22 GLN A 58 19.007 23.324 9.128 1.00 20.00 H new ATOM 324 N ALA A 59 22.126 20.844 14.243 1.00 20.00 N ATOM 325 CA ALA A 59 23.312 20.023 13.988 1.00 20.00 C ATOM 326 C ALA A 59 24.175 19.811 15.241 1.00 20.00 C ATOM 327 O ALA A 59 25.005 18.904 15.251 1.00 20.00 O ATOM 328 CB ALA A 59 24.131 20.651 12.859 1.00 20.00 C ATOM 0 H ALA A 59 22.359 21.809 14.477 1.00 20.00 H new ATOM 0 HA ALA A 59 22.970 19.032 13.689 1.00 20.00 H new ATOM 0 HB1 ALA A 59 25.014 20.041 12.668 1.00 20.00 H new ATOM 0 HB2 ALA A 59 23.524 20.704 11.955 1.00 20.00 H new ATOM 0 HB3 ALA A 59 24.439 21.656 13.148 1.00 20.00 H new ATOM 334 N GLU A 60 23.969 20.611 16.299 1.00 20.00 N ATOM 335 CA GLU A 60 24.766 20.615 17.524 1.00 20.00 C ATOM 336 C GLU A 60 23.946 20.270 18.770 1.00 20.00 C ATOM 337 O GLU A 60 24.521 20.079 19.837 1.00 20.00 O ATOM 338 CB GLU A 60 25.448 21.984 17.653 1.00 20.00 C ATOM 339 CG GLU A 60 26.503 22.203 16.554 1.00 20.00 C ATOM 340 CD GLU A 60 27.208 23.548 16.715 1.00 20.00 C ATOM 341 OE1 GLU A 60 28.465 23.520 16.882 1.00 20.00 O ATOM 342 OE2 GLU A 60 26.526 24.573 16.636 1.00 20.00 O ATOM 0 H GLU A 60 23.214 21.296 16.320 1.00 20.00 H new ATOM 0 HA GLU A 60 25.519 19.830 17.453 1.00 20.00 H new ATOM 0 HB2 GLU A 60 24.696 22.771 17.597 1.00 20.00 H new ATOM 0 HB3 GLU A 60 25.921 22.064 18.632 1.00 20.00 H new ATOM 0 HG2 GLU A 60 27.238 21.399 16.589 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.026 22.156 15.575 1.00 20.00 H new ATOM 349 N SER A 61 22.618 20.131 18.646 1.00 20.00 N ATOM 350 CA SER A 61 21.770 19.538 19.682 1.00 20.00 C ATOM 351 C SER A 61 22.101 18.049 19.868 1.00 20.00 C ATOM 352 O SER A 61 22.251 17.596 21.002 1.00 20.00 O ATOM 353 CB SER A 61 20.290 19.745 19.333 1.00 20.00 C ATOM 354 OG SER A 61 19.979 19.212 18.054 1.00 20.00 O ATOM 0 H SER A 61 22.102 20.430 17.818 1.00 20.00 H new ATOM 0 HA SER A 61 21.968 20.038 20.630 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.666 19.268 20.089 1.00 20.00 H new ATOM 0 HB3 SER A 61 20.056 20.809 19.352 1.00 20.00 H new ATOM 0 HG SER A 61 19.628 19.924 17.480 1.00 20.00 H new ATOM 360 N ALA A 62 22.249 17.305 18.760 1.00 20.00 N ATOM 361 CA ALA A 62 22.610 15.891 18.739 1.00 20.00 C ATOM 362 C ALA A 62 24.074 15.621 19.127 1.00 20.00 C ATOM 363 O ALA A 62 24.409 14.473 19.420 1.00 20.00 O ATOM 364 CB ALA A 62 22.320 15.343 17.342 1.00 20.00 C ATOM 0 H ALA A 62 22.114 17.691 17.826 1.00 20.00 H new ATOM 0 HA ALA A 62 22.010 15.384 19.494 1.00 20.00 H new ATOM 0 HB1 ALA A 62 22.583 14.286 17.304 1.00 20.00 H new ATOM 0 HB2 ALA A 62 21.260 15.462 17.117 1.00 20.00 H new ATOM 0 HB3 ALA A 62 22.910 15.890 16.607 1.00 20.00 H new ATOM 370 N SER A 63 24.935 16.652 19.160 1.00 20.00 N ATOM 371 CA SER A 63 26.324 16.544 19.611 1.00 20.00 C ATOM 372 C SER A 63 26.414 16.268 21.121 1.00 20.00 C ATOM 373 O SER A 63 27.309 15.542 21.553 1.00 20.00 O ATOM 374 CB SER A 63 27.077 17.829 19.246 1.00 20.00 C ATOM 375 OG SER A 63 28.453 17.696 19.531 1.00 20.00 O ATOM 0 H SER A 63 24.678 17.595 18.869 1.00 20.00 H new ATOM 0 HA SER A 63 26.786 15.696 19.106 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.939 18.050 18.188 1.00 20.00 H new ATOM 0 HB3 SER A 63 26.664 18.670 19.803 1.00 20.00 H new ATOM 0 HG SER A 63 28.941 18.454 19.147 1.00 20.00 H new ATOM 381 N CYS A 64 25.467 16.794 21.912 1.00 20.00 N ATOM 382 CA CYS A 64 25.296 16.458 23.326 1.00 20.00 C ATOM 383 C CYS A 64 24.784 15.028 23.526 1.00 20.00 C ATOM 384 O CYS A 64 25.197 14.365 24.476 1.00 20.00 O ATOM 385 CB CYS A 64 24.317 17.449 23.956 1.00 20.00 C ATOM 386 SG CYS A 64 25.047 19.055 24.330 1.00 20.00 S ATOM 0 H CYS A 64 24.788 17.477 21.577 1.00 20.00 H new ATOM 0 HA CYS A 64 26.272 16.521 23.808 1.00 20.00 H new ATOM 0 HB2 CYS A 64 23.474 17.592 23.280 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.919 17.018 24.875 1.00 20.00 H new ATOM 391 N GLY A 65 23.911 14.554 22.628 1.00 20.00 N ATOM 392 CA GLY A 65 23.355 13.209 22.629 1.00 20.00 C ATOM 393 C GLY A 65 21.836 13.213 22.464 1.00 20.00 C ATOM 394 O GLY A 65 21.192 14.264 22.455 1.00 20.00 O ATOM 0 H GLY A 65 23.564 15.123 21.856 1.00 20.00 H new ATOM 0 HA2 GLY A 65 23.805 12.631 21.822 1.00 20.00 H new ATOM 0 HA3 GLY A 65 23.616 12.710 23.562 1.00 20.00 H new ATOM 398 N LYS A 66 21.272 12.004 22.349 1.00 20.00 N ATOM 399 CA LYS A 66 19.840 11.755 22.254 1.00 20.00 C ATOM 400 C LYS A 66 19.193 12.023 23.620 1.00 20.00 C ATOM 401 O LYS A 66 19.388 11.250 24.559 1.00 20.00 O ATOM 402 CB LYS A 66 19.610 10.309 21.770 1.00 20.00 C ATOM 403 CG LYS A 66 18.180 10.066 21.259 1.00 20.00 C ATOM 404 CD LYS A 66 18.006 10.566 19.815 1.00 20.00 C ATOM 405 CE LYS A 66 16.591 10.330 19.286 1.00 20.00 C ATOM 406 NZ LYS A 66 15.623 11.273 19.866 1.00 20.00 N ATOM 0 H LYS A 66 21.825 11.147 22.319 1.00 20.00 H new ATOM 0 HA LYS A 66 19.374 12.424 21.530 1.00 20.00 H new ATOM 0 HB2 LYS A 66 20.318 10.082 20.973 1.00 20.00 H new ATOM 0 HB3 LYS A 66 19.819 9.620 22.588 1.00 20.00 H new ATOM 0 HG2 LYS A 66 17.951 9.001 21.307 1.00 20.00 H new ATOM 0 HG3 LYS A 66 17.468 10.574 21.910 1.00 20.00 H new ATOM 0 HD2 LYS A 66 18.235 11.631 19.771 1.00 20.00 H new ATOM 0 HD3 LYS A 66 18.722 10.059 19.169 1.00 20.00 H new ATOM 0 HE2 LYS A 66 16.588 10.429 18.201 1.00 20.00 H new ATOM 0 HE3 LYS A 66 16.284 9.309 19.514 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 14.676 11.079 19.481 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 15.606 11.161 20.900 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 15.901 12.246 19.627 1.00 20.00 H new ATOM 420 N GLY A 67 18.451 13.133 23.730 1.00 20.00 N ATOM 421 CA GLY A 67 17.775 13.571 24.950 1.00 20.00 C ATOM 422 C GLY A 67 18.297 14.895 25.523 1.00 20.00 C ATOM 423 O GLY A 67 17.811 15.312 26.573 1.00 20.00 O ATOM 0 H GLY A 67 18.302 13.768 22.946 1.00 20.00 H new ATOM 0 HA2 GLY A 67 16.710 13.673 24.744 1.00 20.00 H new ATOM 0 HA3 GLY A 67 17.880 12.795 25.708 1.00 20.00 H new ATOM 427 N GLN A 68 19.265 15.551 24.865 1.00 20.00 N ATOM 428 CA GLN A 68 19.834 16.840 25.269 1.00 20.00 C ATOM 429 C GLN A 68 19.938 17.782 24.062 1.00 20.00 C ATOM 430 O GLN A 68 19.771 17.361 22.916 1.00 20.00 O ATOM 431 CB GLN A 68 21.226 16.643 25.895 1.00 20.00 C ATOM 432 CG GLN A 68 21.242 15.756 27.147 1.00 20.00 C ATOM 433 CD GLN A 68 22.650 15.660 27.732 1.00 20.00 C ATOM 434 OE1 GLN A 68 23.572 15.181 27.077 1.00 20.00 O ATOM 435 NE2 GLN A 68 22.836 16.112 28.970 1.00 20.00 N ATOM 0 H GLN A 68 19.685 15.185 24.010 1.00 20.00 H new ATOM 0 HA GLN A 68 19.172 17.286 26.012 1.00 20.00 H new ATOM 0 HB2 GLN A 68 21.888 16.206 25.147 1.00 20.00 H new ATOM 0 HB3 GLN A 68 21.636 17.620 26.152 1.00 20.00 H new ATOM 0 HG2 GLN A 68 20.561 16.163 27.894 1.00 20.00 H new ATOM 0 HG3 GLN A 68 20.880 14.759 26.895 1.00 20.00 H new ATOM 0 HE21 GLN A 68 22.053 16.505 29.492 1.00 20.00 H new ATOM 0 HE22 GLN A 68 23.761 16.065 29.396 1.00 20.00 H new ATOM 444 N LYS A 69 20.240 19.061 24.327 1.00 20.00 N ATOM 445 CA LYS A 69 20.472 20.082 23.307 1.00 20.00 C ATOM 446 C LYS A 69 21.433 21.175 23.791 1.00 20.00 C ATOM 447 O LYS A 69 21.588 21.385 24.994 1.00 20.00 O ATOM 448 CB LYS A 69 19.126 20.644 22.807 1.00 20.00 C ATOM 449 CG LYS A 69 18.125 21.146 23.866 1.00 20.00 C ATOM 450 CD LYS A 69 18.261 22.635 24.200 1.00 20.00 C ATOM 451 CE LYS A 69 17.089 23.053 25.092 1.00 20.00 C ATOM 452 NZ LYS A 69 16.809 24.495 25.013 1.00 20.00 N ATOM 0 H LYS A 69 20.331 19.418 25.278 1.00 20.00 H new ATOM 0 HA LYS A 69 20.971 19.615 22.458 1.00 20.00 H new ATOM 0 HB2 LYS A 69 19.338 21.469 22.127 1.00 20.00 H new ATOM 0 HB3 LYS A 69 18.634 19.867 22.221 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.112 20.955 23.512 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.258 20.566 24.779 1.00 20.00 H new ATOM 0 HD2 LYS A 69 19.207 22.822 24.708 1.00 20.00 H new ATOM 0 HD3 LYS A 69 18.268 23.227 23.285 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.198 22.496 24.801 1.00 20.00 H new ATOM 0 HE3 LYS A 69 17.309 22.785 26.125 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 17.012 24.939 25.931 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 17.409 24.925 24.280 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 15.808 24.642 24.771 1.00 20.00 H new ATOM 466 N CYS A 70 22.062 21.879 22.837 1.00 20.00 N ATOM 467 CA CYS A 70 22.962 23.004 23.098 1.00 20.00 C ATOM 468 C CYS A 70 22.146 24.247 23.482 1.00 20.00 C ATOM 469 O CYS A 70 21.006 24.397 23.044 1.00 20.00 O ATOM 470 CB CYS A 70 23.810 23.257 21.841 1.00 20.00 C ATOM 471 SG CYS A 70 24.830 24.762 21.850 1.00 20.00 S ATOM 0 H CYS A 70 21.954 21.675 21.843 1.00 20.00 H new ATOM 0 HA CYS A 70 23.626 22.774 23.931 1.00 20.00 H new ATOM 0 HB2 CYS A 70 24.466 22.399 21.692 1.00 20.00 H new ATOM 0 HB3 CYS A 70 23.142 23.301 20.980 1.00 20.00 H new ATOM 476 N CYS A 71 22.747 25.141 24.280 1.00 20.00 N ATOM 477 CA CYS A 71 22.128 26.350 24.811 1.00 20.00 C ATOM 478 C CYS A 71 23.139 27.503 24.846 1.00 20.00 C ATOM 479 O CYS A 71 24.269 27.333 25.303 1.00 20.00 O ATOM 480 CB CYS A 71 21.608 26.026 26.216 1.00 20.00 C ATOM 481 SG CYS A 71 21.092 27.421 27.247 1.00 20.00 S ATOM 0 H CYS A 71 23.715 25.032 24.581 1.00 20.00 H new ATOM 0 HA CYS A 71 21.304 26.670 24.174 1.00 20.00 H new ATOM 0 HB2 CYS A 71 20.760 25.349 26.115 1.00 20.00 H new ATOM 0 HB3 CYS A 71 22.389 25.483 26.748 1.00 20.00 H new ATOM 486 N VAL A 72 22.704 28.685 24.390 1.00 20.00 N ATOM 487 CA VAL A 72 23.440 29.955 24.442 1.00 20.00 C ATOM 488 C VAL A 72 23.531 30.517 25.869 1.00 20.00 C ATOM 489 O VAL A 72 22.889 30.027 26.795 1.00 20.00 O ATOM 490 CB VAL A 72 22.806 31.004 23.494 1.00 20.00 C ATOM 491 CG1 VAL A 72 22.908 30.568 22.027 1.00 20.00 C ATOM 492 CG2 VAL A 72 21.343 31.317 23.839 1.00 20.00 C ATOM 0 H VAL A 72 21.787 28.786 23.955 1.00 20.00 H new ATOM 0 HA VAL A 72 24.455 29.743 24.106 1.00 20.00 H new ATOM 0 HB VAL A 72 23.382 31.918 23.639 1.00 20.00 H new ATOM 0 HG11 VAL A 72 22.454 31.327 21.390 1.00 20.00 H new ATOM 0 HG12 VAL A 72 23.957 30.447 21.756 1.00 20.00 H new ATOM 0 HG13 VAL A 72 22.386 29.621 21.892 1.00 20.00 H new ATOM 0 HG21 VAL A 72 20.955 32.058 23.140 1.00 20.00 H new ATOM 0 HG22 VAL A 72 20.749 30.406 23.768 1.00 20.00 H new ATOM 0 HG23 VAL A 72 21.285 31.710 24.854 1.00 20.00 H new ATOM 502 N TRP A 73 24.294 31.603 26.025 1.00 20.00 N ATOM 503 CA TRP A 73 24.393 32.425 27.230 1.00 20.00 C ATOM 504 C TRP A 73 23.976 33.876 26.951 1.00 20.00 C ATOM 505 O TRP A 73 23.431 34.525 27.842 1.00 20.00 O ATOM 506 CB TRP A 73 25.824 32.347 27.781 1.00 20.00 C ATOM 507 CG TRP A 73 26.937 32.389 26.773 1.00 20.00 C ATOM 508 CD1 TRP A 73 27.268 33.453 25.995 1.00 20.00 C ATOM 509 CD2 TRP A 73 27.846 31.327 26.381 1.00 20.00 C ATOM 510 NE1 TRP A 73 28.284 33.102 25.143 1.00 20.00 N ATOM 511 CE2 TRP A 73 28.720 31.802 25.362 1.00 20.00 C ATOM 512 CE3 TRP A 73 28.028 29.976 26.788 1.00 20.00 C ATOM 513 CZ2 TRP A 73 29.717 31.020 24.791 1.00 20.00 C ATOM 514 CZ3 TRP A 73 29.049 29.185 26.244 1.00 20.00 C ATOM 515 CH2 TRP A 73 29.897 29.695 25.246 1.00 20.00 C ATOM 0 H TRP A 73 24.890 31.949 25.273 1.00 20.00 H new ATOM 0 HA TRP A 73 23.704 32.039 27.982 1.00 20.00 H new ATOM 0 HB2 TRP A 73 25.966 33.172 28.479 1.00 20.00 H new ATOM 0 HB3 TRP A 73 25.918 31.425 28.354 1.00 20.00 H new ATOM 0 HD1 TRP A 73 26.802 34.426 26.041 1.00 20.00 H new ATOM 0 HE1 TRP A 73 28.673 33.722 24.433 1.00 20.00 H new ATOM 0 HE3 TRP A 73 27.367 29.552 27.530 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 30.346 31.420 24.010 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 29.186 28.173 26.595 1.00 20.00 H new ATOM 0 HH2 TRP A 73 30.680 29.079 24.830 1.00 20.00 H new ATOM 526 N LEU A 74 24.208 34.372 25.726 1.00 20.00 N ATOM 527 CA LEU A 74 23.831 35.701 25.253 1.00 20.00 C ATOM 528 C LEU A 74 23.853 35.703 23.717 1.00 20.00 C ATOM 529 O LEU A 74 24.709 35.053 23.113 1.00 20.00 O ATOM 530 CB LEU A 74 24.829 36.734 25.821 1.00 20.00 C ATOM 531 CG LEU A 74 24.505 38.211 25.505 1.00 20.00 C ATOM 532 CD1 LEU A 74 23.174 38.662 26.128 1.00 20.00 C ATOM 533 CD2 LEU A 74 25.635 39.108 26.029 1.00 20.00 C ATOM 0 H LEU A 74 24.687 33.827 25.009 1.00 20.00 H new ATOM 0 HA LEU A 74 22.828 35.963 25.590 1.00 20.00 H new ATOM 0 HB2 LEU A 74 24.874 36.613 26.903 1.00 20.00 H new ATOM 0 HB3 LEU A 74 25.822 36.506 25.433 1.00 20.00 H new ATOM 0 HG LEU A 74 24.414 38.300 24.422 1.00 20.00 H new ATOM 0 HD11 LEU A 74 22.991 39.707 25.878 1.00 20.00 H new ATOM 0 HD12 LEU A 74 22.363 38.048 25.737 1.00 20.00 H new ATOM 0 HD13 LEU A 74 23.223 38.552 27.211 1.00 20.00 H new ATOM 0 HD21 LEU A 74 25.406 40.150 25.806 1.00 20.00 H new ATOM 0 HD22 LEU A 74 25.730 38.981 27.107 1.00 20.00 H new ATOM 0 HD23 LEU A 74 26.572 38.831 25.547 1.00 20.00 H new ATOM 545 N HIS A 75 22.936 36.457 23.091 1.00 20.00 N ATOM 546 CA HIS A 75 22.832 36.611 21.640 1.00 20.00 C ATOM 547 C HIS A 75 24.040 37.351 21.054 1.00 20.00 C ATOM 548 O HIS A 75 24.396 38.422 21.595 1.00 20.00 O ATOM 549 CB HIS A 75 21.522 37.333 21.293 1.00 20.00 C ATOM 550 CG HIS A 75 21.221 37.379 19.816 1.00 20.00 C ATOM 551 ND1 HIS A 75 21.116 36.285 18.973 1.00 20.00 N ATOM 552 CD2 HIS A 75 20.941 38.495 19.083 1.00 20.00 C ATOM 553 CE1 HIS A 75 20.782 36.731 17.761 1.00 20.00 C ATOM 554 NE2 HIS A 75 20.675 38.086 17.792 1.00 20.00 N ATOM 555 OXT HIS A 75 24.602 36.832 20.064 1.00 20.00 O ATOM 0 H HIS A 75 22.229 36.989 23.598 1.00 20.00 H new ATOM 0 HA HIS A 75 22.825 35.618 21.191 1.00 20.00 H new ATOM 0 HB2 HIS A 75 20.698 36.837 21.806 1.00 20.00 H new ATOM 0 HB3 HIS A 75 21.568 38.352 21.676 1.00 20.00 H new ATOM 0 HD2 HIS A 75 20.930 39.512 19.446 1.00 20.00 H new ATOM 0 HE1 HIS A 75 20.622 36.112 16.891 1.00 20.00 H new ATOM 0 HE2 HIS A 75 20.441 38.690 17.004 1.00 20.00 H new TER 564 HIS A 75