USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 430 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 GLY N :NH3+ -103:sc= 0.0737 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0938 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0.952 (180deg=0.927) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0.886 (180deg=0.884) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.302 USER MOD Single : A 43 ASN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= 1.22 (180deg=-0.0915) USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 0.646 (180deg=0.636) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.584 -3.266 -1.197 1.00 0.00 N ATOM 2 CA GLY A 1 17.667 -2.313 -1.811 1.00 0.00 C ATOM 3 C GLY A 1 18.218 -0.895 -1.740 1.00 0.00 C ATOM 4 O GLY A 1 19.151 -0.618 -0.986 1.00 0.00 O ATOM 0 H1 GLY A 1 19.096 -3.783 -1.940 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.265 -2.756 -0.598 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.046 -3.939 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.496 -2.588 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.702 -2.357 -1.307 1.00 0.00 H new ATOM 10 N THR A 2 17.636 0.000 -2.531 1.00 0.00 N ATOM 11 CA THR A 2 18.056 1.397 -2.545 1.00 0.00 C ATOM 12 C THR A 2 17.336 2.199 -1.469 1.00 0.00 C ATOM 13 O THR A 2 16.393 1.714 -0.846 1.00 0.00 O ATOM 14 CB THR A 2 17.799 2.050 -3.916 1.00 0.00 C ATOM 15 OG1 THR A 2 16.386 2.167 -4.135 1.00 0.00 O ATOM 16 CG2 THR A 2 18.413 1.213 -5.029 1.00 0.00 C ATOM 0 H THR A 2 16.872 -0.217 -3.171 1.00 0.00 H new ATOM 0 HA THR A 2 19.127 1.405 -2.344 1.00 0.00 H new ATOM 0 HB THR A 2 18.258 3.038 -3.923 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.224 2.584 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.222 1.689 -5.990 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.489 1.132 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 2 17.969 0.217 -5.023 1.00 0.00 H new ATOM 24 N ILE A 3 17.789 3.431 -1.256 1.00 0.00 N ATOM 25 CA ILE A 3 17.152 4.325 -0.296 1.00 0.00 C ATOM 26 C ILE A 3 15.716 4.634 -0.699 1.00 0.00 C ATOM 27 O ILE A 3 14.823 4.693 0.146 1.00 0.00 O ATOM 28 CB ILE A 3 17.931 5.645 -0.151 1.00 0.00 C ATOM 29 CG1 ILE A 3 19.289 5.394 0.511 1.00 0.00 C ATOM 30 CG2 ILE A 3 17.122 6.653 0.652 1.00 0.00 C ATOM 31 CD1 ILE A 3 20.225 6.580 0.453 1.00 0.00 C ATOM 0 H ILE A 3 18.595 3.832 -1.736 1.00 0.00 H new ATOM 0 HA ILE A 3 17.152 3.807 0.663 1.00 0.00 H new ATOM 0 HB ILE A 3 18.104 6.057 -1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.129 5.120 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.767 4.542 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.686 7.581 0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.179 6.852 0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.920 6.250 1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.165 6.326 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.416 6.842 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.769 7.429 0.963 1.00 0.00 H new ATOM 43 N ASP A 4 15.500 4.832 -1.995 1.00 0.00 N ATOM 44 CA ASP A 4 14.161 5.070 -2.521 1.00 0.00 C ATOM 45 C ASP A 4 13.271 3.849 -2.332 1.00 0.00 C ATOM 46 O ASP A 4 12.087 3.976 -2.017 1.00 0.00 O ATOM 47 CB ASP A 4 14.227 5.448 -4.003 1.00 0.00 C ATOM 48 CG ASP A 4 14.763 6.848 -4.272 1.00 0.00 C ATOM 49 OD1 ASP A 4 14.864 7.613 -3.342 1.00 0.00 O ATOM 50 OD2 ASP A 4 15.213 7.089 -5.366 1.00 0.00 O ATOM 0 H ASP A 4 16.236 4.832 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 4 13.726 5.899 -1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.856 4.725 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.228 5.366 -4.431 1.00 0.00 H new ATOM 55 N GLU A 5 13.846 2.667 -2.524 1.00 0.00 N ATOM 56 CA GLU A 5 13.121 1.419 -2.314 1.00 0.00 C ATOM 57 C GLU A 5 12.840 1.188 -0.835 1.00 0.00 C ATOM 58 O GLU A 5 11.841 0.565 -0.473 1.00 0.00 O ATOM 59 CB GLU A 5 13.908 0.240 -2.889 1.00 0.00 C ATOM 60 CG GLU A 5 13.966 0.205 -4.410 1.00 0.00 C ATOM 61 CD GLU A 5 14.912 -0.857 -4.897 1.00 0.00 C ATOM 62 OE1 GLU A 5 15.627 -1.403 -4.092 1.00 0.00 O ATOM 63 OE2 GLU A 5 14.842 -1.202 -6.053 1.00 0.00 O ATOM 0 H GLU A 5 14.813 2.547 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 5 12.167 1.496 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.925 0.273 -2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.461 -0.688 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.969 0.018 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.283 1.178 -4.786 1.00 0.00 H new ATOM 70 N TRP A 6 13.726 1.693 0.018 1.00 0.00 N ATOM 71 CA TRP A 6 13.524 1.628 1.460 1.00 0.00 C ATOM 72 C TRP A 6 12.354 2.502 1.892 1.00 0.00 C ATOM 73 O TRP A 6 11.547 2.104 2.733 1.00 0.00 O ATOM 74 CB TRP A 6 14.796 2.054 2.195 1.00 0.00 C ATOM 75 CG TRP A 6 15.922 1.074 2.060 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.826 -0.230 1.678 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.313 1.320 2.303 1.00 0.00 C ATOM 78 NE1 TRP A 6 17.069 -0.814 1.670 1.00 0.00 N ATOM 79 CE2 TRP A 6 18.000 0.120 2.049 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.043 2.443 2.712 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.374 0.006 2.190 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.421 2.329 2.852 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.068 1.145 2.597 1.00 0.00 C ATOM 0 H TRP A 6 14.592 2.152 -0.266 1.00 0.00 H new ATOM 0 HA TRP A 6 13.291 0.595 1.719 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.120 3.022 1.813 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.567 2.189 3.252 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.906 -0.732 1.419 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.268 -1.783 1.423 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.545 3.380 2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.885 -0.925 1.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 19.994 3.188 3.167 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.140 1.095 2.715 1.00 0.00 H new ATOM 94 N LEU A 7 12.267 3.694 1.314 1.00 0.00 N ATOM 95 CA LEU A 7 11.135 4.582 1.553 1.00 0.00 C ATOM 96 C LEU A 7 9.838 3.969 1.044 1.00 0.00 C ATOM 97 O LEU A 7 8.816 3.996 1.730 1.00 0.00 O ATOM 98 CB LEU A 7 11.379 5.943 0.890 1.00 0.00 C ATOM 99 CG LEU A 7 12.621 6.697 1.384 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.014 7.771 0.379 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.333 7.312 2.745 1.00 0.00 C ATOM 0 H LEU A 7 12.968 4.069 0.675 1.00 0.00 H new ATOM 0 HA LEU A 7 11.039 4.725 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.468 5.794 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.503 6.571 1.054 1.00 0.00 H new ATOM 0 HG LEU A 7 13.454 6.001 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.896 8.300 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.236 7.307 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.191 8.476 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.215 7.848 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.497 8.006 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.081 6.524 3.454 1.00 0.00 H new ATOM 113 N LEU A 8 9.883 3.417 -0.164 1.00 0.00 N ATOM 114 CA LEU A 8 8.725 2.749 -0.746 1.00 0.00 C ATOM 115 C LEU A 8 8.320 1.532 0.076 1.00 0.00 C ATOM 116 O LEU A 8 7.133 1.270 0.271 1.00 0.00 O ATOM 117 CB LEU A 8 9.022 2.341 -2.195 1.00 0.00 C ATOM 118 CG LEU A 8 8.034 1.339 -2.805 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.614 1.876 -2.703 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.408 1.075 -4.256 1.00 0.00 C ATOM 0 H LEU A 8 10.711 3.419 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 8 7.891 3.450 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.034 3.238 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.023 1.912 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 8 8.083 0.400 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.921 1.157 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.360 2.036 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.543 2.821 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.706 0.363 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.370 2.009 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.416 0.664 -4.303 1.00 0.00 H new ATOM 132 N LYS A 9 9.313 0.792 0.554 1.00 0.00 N ATOM 133 CA LYS A 9 9.068 -0.323 1.463 1.00 0.00 C ATOM 134 C LYS A 9 8.291 0.129 2.692 1.00 0.00 C ATOM 135 O LYS A 9 7.420 -0.587 3.185 1.00 0.00 O ATOM 136 CB LYS A 9 10.389 -0.970 1.885 1.00 0.00 C ATOM 137 CG LYS A 9 10.235 -2.161 2.821 1.00 0.00 C ATOM 138 CD LYS A 9 11.585 -2.645 3.327 1.00 0.00 C ATOM 139 CE LYS A 9 12.347 -1.531 4.028 1.00 0.00 C ATOM 140 NZ LYS A 9 13.725 -1.950 4.404 1.00 0.00 N ATOM 0 H LYS A 9 10.296 0.943 0.328 1.00 0.00 H new ATOM 0 HA LYS A 9 8.466 -1.060 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.923 -1.292 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.009 -0.218 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.606 -1.883 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.727 -2.973 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.440 -3.478 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.175 -3.021 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.398 -0.660 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.804 -1.227 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.210 -1.162 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.676 -2.765 5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.253 -2.216 3.548 1.00 0.00 H new ATOM 154 N GLU A 10 8.612 1.322 3.183 1.00 0.00 N ATOM 155 CA GLU A 10 7.886 1.909 4.303 1.00 0.00 C ATOM 156 C GLU A 10 6.518 2.417 3.868 1.00 0.00 C ATOM 157 O GLU A 10 5.553 2.362 4.631 1.00 0.00 O ATOM 158 CB GLU A 10 8.696 3.047 4.928 1.00 0.00 C ATOM 159 CG GLU A 10 9.945 2.597 5.672 1.00 0.00 C ATOM 160 CD GLU A 10 10.748 3.773 6.153 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.369 4.883 5.869 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.677 3.567 6.897 1.00 0.00 O ATOM 0 H GLU A 10 9.370 1.901 2.822 1.00 0.00 H new ATOM 0 HA GLU A 10 7.737 1.129 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.988 3.743 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.055 3.596 5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.661 1.976 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.558 1.979 5.016 1.00 0.00 H new ATOM 169 N ALA A 11 6.440 2.911 2.638 1.00 0.00 N ATOM 170 CA ALA A 11 5.173 3.357 2.070 1.00 0.00 C ATOM 171 C ALA A 11 4.183 2.205 1.959 1.00 0.00 C ATOM 172 O ALA A 11 2.995 2.366 2.239 1.00 0.00 O ATOM 173 CB ALA A 11 5.399 3.999 0.709 1.00 0.00 C ATOM 0 H ALA A 11 7.240 3.013 2.014 1.00 0.00 H new ATOM 0 HA ALA A 11 4.746 4.102 2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.444 4.327 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.061 4.858 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.854 3.273 0.035 1.00 0.00 H new ATOM 179 N LYS A 12 4.679 1.042 1.550 1.00 0.00 N ATOM 180 CA LYS A 12 3.837 -0.138 1.395 1.00 0.00 C ATOM 181 C LYS A 12 3.275 -0.594 2.735 1.00 0.00 C ATOM 182 O LYS A 12 2.096 -0.931 2.842 1.00 0.00 O ATOM 183 CB LYS A 12 4.624 -1.274 0.740 1.00 0.00 C ATOM 184 CG LYS A 12 5.015 -1.016 -0.709 1.00 0.00 C ATOM 185 CD LYS A 12 6.155 -1.924 -1.145 1.00 0.00 C ATOM 186 CE LYS A 12 6.469 -1.751 -2.624 1.00 0.00 C ATOM 187 NZ LYS A 12 7.468 -2.745 -3.101 1.00 0.00 N ATOM 0 H LYS A 12 5.661 0.892 1.320 1.00 0.00 H new ATOM 0 HA LYS A 12 3.001 0.131 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.529 -1.455 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.028 -2.186 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.152 -1.177 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.312 0.026 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.044 -1.703 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.891 -2.963 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.552 -1.852 -3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.847 -0.744 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.654 -2.592 -4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.353 -2.632 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.097 -3.706 -2.958 1.00 0.00 H new ATOM 201 N GLU A 13 4.125 -0.601 3.755 1.00 0.00 N ATOM 202 CA GLU A 13 3.723 -1.047 5.085 1.00 0.00 C ATOM 203 C GLU A 13 2.767 -0.054 5.732 1.00 0.00 C ATOM 204 O GLU A 13 1.769 -0.443 6.339 1.00 0.00 O ATOM 205 CB GLU A 13 4.950 -1.252 5.975 1.00 0.00 C ATOM 206 CG GLU A 13 5.809 -2.451 5.596 1.00 0.00 C ATOM 207 CD GLU A 13 7.050 -2.521 6.441 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.258 -1.636 7.235 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.734 -3.516 6.373 1.00 0.00 O ATOM 0 H GLU A 13 5.098 -0.303 3.687 1.00 0.00 H new ATOM 0 HA GLU A 13 3.203 -1.999 4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.565 -0.353 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.620 -1.369 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.232 -3.368 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.086 -2.385 4.544 1.00 0.00 H new ATOM 216 N LYS A 14 3.076 1.232 5.598 1.00 0.00 N ATOM 217 CA LYS A 14 2.393 2.269 6.363 1.00 0.00 C ATOM 218 C LYS A 14 1.014 2.559 5.787 1.00 0.00 C ATOM 219 O LYS A 14 0.072 2.850 6.524 1.00 0.00 O ATOM 220 CB LYS A 14 3.230 3.548 6.397 1.00 0.00 C ATOM 221 CG LYS A 14 4.462 3.472 7.288 1.00 0.00 C ATOM 222 CD LYS A 14 4.079 3.401 8.759 1.00 0.00 C ATOM 223 CE LYS A 14 3.252 4.610 9.174 1.00 0.00 C ATOM 224 NZ LYS A 14 2.594 4.407 10.494 1.00 0.00 N ATOM 0 H LYS A 14 3.796 1.581 4.966 1.00 0.00 H new ATOM 0 HA LYS A 14 2.266 1.903 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.546 3.788 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.601 4.370 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.052 2.595 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.092 4.345 7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.513 2.489 8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.980 3.347 9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.894 5.490 9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.493 4.808 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.125 5.288 10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.888 3.648 10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.309 4.144 11.202 1.00 0.00 H new ATOM 238 N ALA A 15 0.901 2.478 4.466 1.00 0.00 N ATOM 239 CA ALA A 15 -0.312 2.898 3.773 1.00 0.00 C ATOM 240 C ALA A 15 -1.493 2.010 4.145 1.00 0.00 C ATOM 241 O ALA A 15 -2.605 2.496 4.355 1.00 0.00 O ATOM 242 CB ALA A 15 -0.092 2.890 2.268 1.00 0.00 C ATOM 0 H ALA A 15 1.635 2.125 3.853 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.546 3.915 4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.006 3.206 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.717 3.575 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.171 1.883 1.944 1.00 0.00 H new ATOM 248 N ILE A 16 -1.246 0.708 4.224 1.00 0.00 N ATOM 249 CA ILE A 16 -2.316 -0.264 4.416 1.00 0.00 C ATOM 250 C ILE A 16 -2.889 -0.182 5.825 1.00 0.00 C ATOM 251 O ILE A 16 -4.040 -0.547 6.060 1.00 0.00 O ATOM 252 CB ILE A 16 -1.827 -1.701 4.154 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.212 -1.809 2.757 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.972 -2.689 4.314 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.014 -1.113 1.681 1.00 0.00 C ATOM 0 H ILE A 16 -0.313 0.300 4.158 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.096 -0.018 3.696 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.058 -1.946 4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.208 -1.386 2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.109 -2.862 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.610 -3.700 4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.366 -2.628 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.762 -2.448 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.515 -1.234 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.011 -1.551 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.095 -0.052 1.917 1.00 0.00 H new ATOM 267 N GLU A 17 -2.077 0.301 6.761 1.00 0.00 N ATOM 268 CA GLU A 17 -2.482 0.380 8.159 1.00 0.00 C ATOM 269 C GLU A 17 -3.820 1.093 8.307 1.00 0.00 C ATOM 270 O GLU A 17 -4.620 0.758 9.180 1.00 0.00 O ATOM 271 CB GLU A 17 -1.412 1.094 8.988 1.00 0.00 C ATOM 272 CG GLU A 17 -0.135 0.291 9.192 1.00 0.00 C ATOM 273 CD GLU A 17 0.909 1.098 9.912 1.00 0.00 C ATOM 274 OE1 GLU A 17 0.673 2.257 10.156 1.00 0.00 O ATOM 275 OE2 GLU A 17 1.895 0.529 10.318 1.00 0.00 O ATOM 0 H GLU A 17 -1.134 0.644 6.575 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.596 -0.639 8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.160 2.036 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.831 1.342 9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.357 -0.611 9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.253 -0.030 8.226 1.00 0.00 H new ATOM 282 N GLU A 18 -4.057 2.078 7.447 1.00 0.00 N ATOM 283 CA GLU A 18 -5.324 2.802 7.441 1.00 0.00 C ATOM 284 C GLU A 18 -6.479 1.887 7.054 1.00 0.00 C ATOM 285 O GLU A 18 -7.571 1.980 7.613 1.00 0.00 O ATOM 286 CB GLU A 18 -5.254 3.994 6.486 1.00 0.00 C ATOM 287 CG GLU A 18 -4.255 5.069 6.892 1.00 0.00 C ATOM 288 CD GLU A 18 -4.553 5.600 8.268 1.00 0.00 C ATOM 289 OE1 GLU A 18 -5.665 6.010 8.497 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.704 5.491 9.121 1.00 0.00 O ATOM 0 H GLU A 18 -3.388 2.394 6.745 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.504 3.168 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.995 3.632 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.244 4.444 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.246 4.658 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.283 5.886 6.171 1.00 0.00 H new ATOM 297 N LEU A 19 -6.231 1.004 6.094 1.00 0.00 N ATOM 298 CA LEU A 19 -7.222 0.012 5.689 1.00 0.00 C ATOM 299 C LEU A 19 -7.517 -0.963 6.822 1.00 0.00 C ATOM 300 O LEU A 19 -8.667 -1.344 7.041 1.00 0.00 O ATOM 301 CB LEU A 19 -6.739 -0.744 4.446 1.00 0.00 C ATOM 302 CG LEU A 19 -7.281 -0.218 3.111 1.00 0.00 C ATOM 303 CD1 LEU A 19 -7.161 1.299 3.060 1.00 0.00 C ATOM 304 CD2 LEU A 19 -6.514 -0.859 1.964 1.00 0.00 C ATOM 0 H LEU A 19 -5.351 0.954 5.580 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.147 0.536 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.650 -0.707 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.020 -1.793 4.546 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.335 -0.479 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.548 1.663 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.735 1.737 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.114 1.585 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.899 -0.485 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.456 -0.610 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.637 -1.941 2.004 1.00 0.00 H new ATOM 316 N LYS A 20 -6.473 -1.364 7.538 1.00 0.00 N ATOM 317 CA LYS A 20 -6.628 -2.229 8.702 1.00 0.00 C ATOM 318 C LYS A 20 -7.496 -1.570 9.766 1.00 0.00 C ATOM 319 O LYS A 20 -8.277 -2.237 10.445 1.00 0.00 O ATOM 320 CB LYS A 20 -5.262 -2.591 9.287 1.00 0.00 C ATOM 321 CG LYS A 20 -4.368 -3.391 8.349 1.00 0.00 C ATOM 322 CD LYS A 20 -3.110 -3.870 9.059 1.00 0.00 C ATOM 323 CE LYS A 20 -2.190 -4.622 8.108 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.940 -5.070 8.781 1.00 0.00 N ATOM 0 H LYS A 20 -5.508 -1.104 7.333 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.125 -3.142 8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.745 -1.673 9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.412 -3.164 10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.918 -4.248 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.093 -2.776 7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.581 -3.016 9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.384 -4.518 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.715 -5.488 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.938 -3.980 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.341 -5.578 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.426 -4.242 9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.179 -5.703 9.571 1.00 0.00 H new ATOM 338 N LYS A 21 -7.354 -0.257 9.908 1.00 0.00 N ATOM 339 CA LYS A 21 -8.207 0.514 10.805 1.00 0.00 C ATOM 340 C LYS A 21 -9.654 0.507 10.332 1.00 0.00 C ATOM 341 O LYS A 21 -10.581 0.589 11.137 1.00 0.00 O ATOM 342 CB LYS A 21 -7.699 1.951 10.924 1.00 0.00 C ATOM 343 CG LYS A 21 -6.387 2.094 11.684 1.00 0.00 C ATOM 344 CD LYS A 21 -5.877 3.527 11.644 1.00 0.00 C ATOM 345 CE LYS A 21 -4.469 3.631 12.210 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.880 4.981 11.993 1.00 0.00 N ATOM 0 H LYS A 21 -6.655 0.297 9.413 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.168 0.043 11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.571 2.362 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.460 2.552 11.421 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.529 1.785 12.720 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.640 1.428 11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.885 3.889 10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.548 4.170 12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.490 3.412 13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.834 2.879 11.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.927 5.015 12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.820 5.174 10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.481 5.699 12.446 1.00 0.00 H new ATOM 360 N ALA A 22 -9.841 0.408 9.020 1.00 0.00 N ATOM 361 CA ALA A 22 -11.172 0.482 8.427 1.00 0.00 C ATOM 362 C ALA A 22 -11.847 -0.883 8.417 1.00 0.00 C ATOM 363 O ALA A 22 -13.014 -1.007 8.045 1.00 0.00 O ATOM 364 CB ALA A 22 -11.093 1.050 7.018 1.00 0.00 C ATOM 0 H ALA A 22 -9.087 0.276 8.346 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.778 1.150 9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.094 1.099 6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.664 2.051 7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.465 0.407 6.401 1.00 0.00 H new ATOM 370 N GLY A 23 -11.106 -1.907 8.828 1.00 0.00 N ATOM 371 CA GLY A 23 -11.637 -3.264 8.884 1.00 0.00 C ATOM 372 C GLY A 23 -11.367 -4.016 7.588 1.00 0.00 C ATOM 373 O GLY A 23 -11.972 -5.054 7.322 1.00 0.00 O ATOM 0 H GLY A 23 -10.135 -1.822 9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.185 -3.800 9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.710 -3.230 9.071 1.00 0.00 H new ATOM 377 N ILE A 24 -10.453 -3.486 6.782 1.00 0.00 N ATOM 378 CA ILE A 24 -10.060 -4.135 5.537 1.00 0.00 C ATOM 379 C ILE A 24 -8.923 -5.123 5.765 1.00 0.00 C ATOM 380 O ILE A 24 -7.876 -4.766 6.305 1.00 0.00 O ATOM 381 CB ILE A 24 -9.629 -3.107 4.475 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.753 -2.101 4.218 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.231 -3.809 3.186 1.00 0.00 C ATOM 384 CD1 ILE A 24 -12.037 -2.733 3.728 1.00 0.00 C ATOM 0 H ILE A 24 -9.970 -2.607 6.969 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.936 -4.672 5.174 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.762 -2.563 4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.956 -1.554 5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.414 -1.372 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.929 -3.068 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.399 -4.486 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.079 -4.378 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.786 -1.958 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.850 -3.256 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.401 -3.441 4.472 1.00 0.00 H new ATOM 396 N THR A 25 -9.137 -6.368 5.351 1.00 0.00 N ATOM 397 CA THR A 25 -8.171 -7.432 5.595 1.00 0.00 C ATOM 398 C THR A 25 -7.772 -8.122 4.298 1.00 0.00 C ATOM 399 O THR A 25 -6.895 -8.987 4.288 1.00 0.00 O ATOM 400 CB THR A 25 -8.724 -8.484 6.575 1.00 0.00 C ATOM 401 OG1 THR A 25 -9.903 -9.083 6.022 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.067 -7.841 7.911 1.00 0.00 C ATOM 0 H THR A 25 -9.971 -6.664 4.845 1.00 0.00 H new ATOM 0 HA THR A 25 -7.293 -6.962 6.038 1.00 0.00 H new ATOM 0 HB THR A 25 -7.961 -9.246 6.735 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.253 -9.753 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.456 -8.599 8.590 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.170 -7.394 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.821 -7.068 7.760 1.00 0.00 H new ATOM 410 N SER A 26 -8.419 -7.736 3.204 1.00 0.00 N ATOM 411 CA SER A 26 -8.197 -8.378 1.914 1.00 0.00 C ATOM 412 C SER A 26 -6.722 -8.360 1.537 1.00 0.00 C ATOM 413 O SER A 26 -6.170 -7.312 1.198 1.00 0.00 O ATOM 414 CB SER A 26 -9.025 -7.697 0.842 1.00 0.00 C ATOM 415 OG SER A 26 -8.869 -8.306 -0.409 1.00 0.00 O ATOM 0 H SER A 26 -9.103 -6.980 3.185 1.00 0.00 H new ATOM 0 HA SER A 26 -8.509 -9.419 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.077 -7.720 1.127 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.736 -6.648 0.773 1.00 0.00 H new ATOM 0 HG SER A 26 -9.420 -7.839 -1.071 1.00 0.00 H new ATOM 421 N ASP A 27 -6.086 -9.526 1.597 1.00 0.00 N ATOM 422 CA ASP A 27 -4.669 -9.643 1.275 1.00 0.00 C ATOM 423 C ASP A 27 -4.437 -9.547 -0.228 1.00 0.00 C ATOM 424 O ASP A 27 -3.323 -9.272 -0.677 1.00 0.00 O ATOM 425 CB ASP A 27 -4.104 -10.959 1.812 1.00 0.00 C ATOM 426 CG ASP A 27 -3.936 -11.001 3.325 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.005 -9.963 3.940 1.00 0.00 O ATOM 428 OD2 ASP A 27 -3.899 -12.079 3.868 1.00 0.00 O ATOM 0 H ASP A 27 -6.531 -10.404 1.866 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.148 -8.814 1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.762 -11.773 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.136 -11.142 1.346 1.00 0.00 H new ATOM 433 N TYR A 28 -5.492 -9.777 -1.001 1.00 0.00 N ATOM 434 CA TYR A 28 -5.428 -9.630 -2.449 1.00 0.00 C ATOM 435 C TYR A 28 -4.946 -8.239 -2.840 1.00 0.00 C ATOM 436 O TYR A 28 -3.963 -8.092 -3.566 1.00 0.00 O ATOM 437 CB TYR A 28 -6.796 -9.907 -3.077 1.00 0.00 C ATOM 438 CG TYR A 28 -6.843 -9.675 -4.571 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.358 -10.627 -5.456 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.373 -8.505 -5.093 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.399 -10.420 -6.822 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.419 -8.287 -6.456 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.931 -9.247 -7.318 1.00 0.00 C ATOM 444 OH TYR A 28 -6.975 -9.036 -8.676 1.00 0.00 O ATOM 0 H TYR A 28 -6.404 -10.067 -0.647 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.711 -10.359 -2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.077 -10.940 -2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.541 -9.272 -2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.941 -11.546 -5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.757 -7.751 -4.422 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.017 -11.172 -7.497 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.835 -7.369 -6.845 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.380 -8.162 -8.858 1.00 0.00 H new ATOM 454 N TYR A 29 -5.645 -7.218 -2.355 1.00 0.00 N ATOM 455 CA TYR A 29 -5.311 -5.836 -2.682 1.00 0.00 C ATOM 456 C TYR A 29 -4.033 -5.398 -1.980 1.00 0.00 C ATOM 457 O TYR A 29 -3.288 -4.561 -2.490 1.00 0.00 O ATOM 458 CB TYR A 29 -6.465 -4.904 -2.304 1.00 0.00 C ATOM 459 CG TYR A 29 -7.721 -5.123 -3.116 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.770 -4.772 -4.458 1.00 0.00 C ATOM 461 CD2 TYR A 29 -8.856 -5.675 -2.541 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.915 -4.968 -5.205 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.006 -5.877 -3.278 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.031 -5.522 -4.612 1.00 0.00 C ATOM 465 OH TYR A 29 -11.175 -5.719 -5.352 1.00 0.00 O ATOM 0 H TYR A 29 -6.447 -7.322 -1.733 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.146 -5.777 -3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.698 -5.041 -1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.140 -3.871 -2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.898 -4.338 -4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.840 -5.952 -1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.937 -4.689 -6.248 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.880 -6.310 -2.814 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.867 -6.119 -4.785 1.00 0.00 H new ATOM 475 N PHE A 30 -3.783 -5.968 -0.805 1.00 0.00 N ATOM 476 CA PHE A 30 -2.518 -5.765 -0.109 1.00 0.00 C ATOM 477 C PHE A 30 -1.348 -6.295 -0.927 1.00 0.00 C ATOM 478 O PHE A 30 -0.221 -5.815 -0.800 1.00 0.00 O ATOM 479 CB PHE A 30 -2.550 -6.440 1.263 1.00 0.00 C ATOM 480 CG PHE A 30 -3.598 -5.888 2.187 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.512 -4.946 1.738 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.674 -6.311 3.505 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.476 -4.437 2.587 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.639 -5.804 4.356 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.539 -4.867 3.897 1.00 0.00 C ATOM 0 H PHE A 30 -4.441 -6.574 -0.315 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.379 -4.692 0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.724 -7.508 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.572 -6.333 1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.470 -4.607 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.972 -7.045 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.180 -3.702 2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.687 -6.143 5.380 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.292 -4.470 4.561 1.00 0.00 H new ATOM 495 N ASP A 31 -1.621 -7.287 -1.767 1.00 0.00 N ATOM 496 CA ASP A 31 -0.618 -7.809 -2.688 1.00 0.00 C ATOM 497 C ASP A 31 -0.310 -6.807 -3.793 1.00 0.00 C ATOM 498 O ASP A 31 0.827 -6.704 -4.252 1.00 0.00 O ATOM 499 CB ASP A 31 -1.086 -9.134 -3.296 1.00 0.00 C ATOM 500 CG ASP A 31 -0.005 -9.894 -4.052 1.00 0.00 C ATOM 501 OD1 ASP A 31 0.980 -10.248 -3.448 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.240 -10.254 -5.181 1.00 0.00 O ATOM 0 H ASP A 31 -2.530 -7.746 -1.829 1.00 0.00 H new ATOM 0 HA ASP A 31 0.296 -7.983 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.471 -9.770 -2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.916 -8.936 -3.974 1.00 0.00 H new ATOM 507 N LEU A 32 -1.331 -6.069 -4.217 1.00 0.00 N ATOM 508 CA LEU A 32 -1.219 -5.205 -5.387 1.00 0.00 C ATOM 509 C LEU A 32 -0.182 -4.111 -5.165 1.00 0.00 C ATOM 510 O LEU A 32 0.527 -3.718 -6.091 1.00 0.00 O ATOM 511 CB LEU A 32 -2.582 -4.588 -5.723 1.00 0.00 C ATOM 512 CG LEU A 32 -3.381 -5.321 -6.807 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.708 -6.735 -6.348 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.653 -4.546 -7.114 1.00 0.00 C ATOM 0 H LEU A 32 -2.246 -6.052 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.890 -5.815 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.181 -4.553 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.428 -3.557 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.784 -5.387 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.276 -7.248 -7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.783 -7.278 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.300 -6.693 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.220 -5.068 -7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.257 -4.466 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.395 -3.548 -7.467 1.00 0.00 H new ATOM 526 N ILE A 33 -0.098 -3.623 -3.933 1.00 0.00 N ATOM 527 CA ILE A 33 0.869 -2.589 -3.581 1.00 0.00 C ATOM 528 C ILE A 33 2.291 -3.135 -3.602 1.00 0.00 C ATOM 529 O ILE A 33 3.255 -2.376 -3.698 1.00 0.00 O ATOM 530 CB ILE A 33 0.579 -1.992 -2.192 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.613 -3.087 -1.122 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.767 -1.284 -2.189 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.106 -2.610 0.224 1.00 0.00 C ATOM 0 H ILE A 33 -0.689 -3.927 -3.159 1.00 0.00 H new ATOM 0 HA ILE A 33 0.774 -1.803 -4.330 1.00 0.00 H new ATOM 0 HB ILE A 33 1.353 -1.260 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.389 -3.500 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.254 -3.899 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.957 -0.868 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.757 -0.480 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.553 -1.996 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.102 -3.442 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.121 -2.224 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.452 -1.819 0.592 1.00 0.00 H new ATOM 545 N ASN A 34 2.415 -4.454 -3.512 1.00 0.00 N ATOM 546 CA ASN A 34 3.716 -5.108 -3.574 1.00 0.00 C ATOM 547 C ASN A 34 4.247 -5.144 -5.000 1.00 0.00 C ATOM 548 O ASN A 34 5.452 -5.030 -5.227 1.00 0.00 O ATOM 549 CB ASN A 34 3.660 -6.512 -2.999 1.00 0.00 C ATOM 550 CG ASN A 34 3.484 -6.549 -1.507 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.869 -5.616 -0.792 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.979 -7.656 -1.023 1.00 0.00 N ATOM 0 H ASN A 34 1.628 -5.093 -3.396 1.00 0.00 H new ATOM 0 HA ASN A 34 4.401 -4.518 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.837 -7.054 -3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.578 -7.039 -3.261 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.889 -7.777 -0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.675 -8.397 -1.655 1.00 0.00 H new ATOM 559 N LYS A 35 3.343 -5.303 -5.960 1.00 0.00 N ATOM 560 CA LYS A 35 3.673 -5.107 -7.365 1.00 0.00 C ATOM 561 C LYS A 35 4.012 -3.650 -7.654 1.00 0.00 C ATOM 562 O LYS A 35 4.732 -3.346 -8.604 1.00 0.00 O ATOM 563 CB LYS A 35 2.519 -5.565 -8.257 1.00 0.00 C ATOM 564 CG LYS A 35 2.810 -5.496 -9.750 1.00 0.00 C ATOM 565 CD LYS A 35 1.660 -6.067 -10.566 1.00 0.00 C ATOM 566 CE LYS A 35 1.950 -5.996 -12.059 1.00 0.00 C ATOM 567 NZ LYS A 35 0.828 -6.540 -12.870 1.00 0.00 N ATOM 0 H LYS A 35 2.373 -5.568 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 35 4.552 -5.712 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.261 -6.592 -7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.644 -4.952 -8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.985 -4.460 -10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.724 -6.048 -9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.486 -7.103 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.746 -5.516 -10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.135 -4.960 -12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.860 -6.554 -12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.066 -6.473 -13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.668 -7.536 -12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.035 -5.992 -12.680 1.00 0.00 H new ATOM 581 N ALA A 36 3.486 -2.752 -6.827 1.00 0.00 N ATOM 582 CA ALA A 36 3.602 -1.320 -7.078 1.00 0.00 C ATOM 583 C ALA A 36 5.024 -0.832 -6.827 1.00 0.00 C ATOM 584 O ALA A 36 5.291 -0.154 -5.834 1.00 0.00 O ATOM 585 CB ALA A 36 2.613 -0.549 -6.216 1.00 0.00 C ATOM 0 H ALA A 36 2.975 -2.991 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 36 3.366 -1.140 -8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.712 0.518 -6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.598 -0.869 -6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.820 -0.743 -5.163 1.00 0.00 H new ATOM 591 N LYS A 37 5.933 -1.179 -7.733 1.00 0.00 N ATOM 592 CA LYS A 37 7.338 -0.827 -7.580 1.00 0.00 C ATOM 593 C LYS A 37 7.529 0.685 -7.556 1.00 0.00 C ATOM 594 O LYS A 37 8.640 1.177 -7.360 1.00 0.00 O ATOM 595 CB LYS A 37 8.170 -1.443 -8.707 1.00 0.00 C ATOM 596 CG LYS A 37 9.673 -1.413 -8.467 1.00 0.00 C ATOM 597 CD LYS A 37 10.420 -2.187 -9.544 1.00 0.00 C ATOM 598 CE LYS A 37 11.906 -2.279 -9.230 1.00 0.00 C ATOM 599 NZ LYS A 37 12.640 -3.086 -10.242 1.00 0.00 N ATOM 0 H LYS A 37 5.720 -1.704 -8.581 1.00 0.00 H new ATOM 0 HA LYS A 37 7.680 -1.229 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.858 -2.478 -8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.952 -0.914 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.020 -0.380 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.896 -1.839 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.002 -3.190 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.280 -1.699 -10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.331 -1.276 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.041 -2.723 -8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.649 -3.124 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.252 -4.051 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.533 -2.648 -11.179 1.00 0.00 H new ATOM 613 N THR A 38 6.437 1.417 -7.756 1.00 0.00 N ATOM 614 CA THR A 38 6.436 2.860 -7.554 1.00 0.00 C ATOM 615 C THR A 38 5.640 3.243 -6.313 1.00 0.00 C ATOM 616 O THR A 38 4.710 2.538 -5.919 1.00 0.00 O ATOM 617 CB THR A 38 5.853 3.601 -8.773 1.00 0.00 C ATOM 618 OG1 THR A 38 4.455 3.306 -8.890 1.00 0.00 O ATOM 619 CG2 THR A 38 6.567 3.175 -10.046 1.00 0.00 C ATOM 0 H THR A 38 5.542 1.033 -8.058 1.00 0.00 H new ATOM 0 HA THR A 38 7.476 3.158 -7.421 1.00 0.00 H new ATOM 0 HB THR A 38 5.994 4.673 -8.631 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.085 3.779 -9.664 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.143 3.708 -10.897 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.628 3.409 -9.964 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.443 2.102 -10.191 1.00 0.00 H new ATOM 627 N VAL A 39 6.012 4.361 -5.699 1.00 0.00 N ATOM 628 CA VAL A 39 5.269 4.896 -4.564 1.00 0.00 C ATOM 629 C VAL A 39 3.877 5.351 -4.983 1.00 0.00 C ATOM 630 O VAL A 39 2.909 5.181 -4.240 1.00 0.00 O ATOM 631 CB VAL A 39 6.009 6.077 -3.910 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.135 6.732 -2.851 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.322 5.611 -3.300 1.00 0.00 C ATOM 0 H VAL A 39 6.825 4.915 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 39 5.181 4.088 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 39 6.229 6.815 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.674 7.565 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.219 7.100 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.886 6.001 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.832 6.459 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.122 4.855 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.954 5.185 -4.079 1.00 0.00 H new ATOM 643 N GLU A 40 3.782 5.928 -6.175 1.00 0.00 N ATOM 644 CA GLU A 40 2.508 6.413 -6.693 1.00 0.00 C ATOM 645 C GLU A 40 1.522 5.269 -6.891 1.00 0.00 C ATOM 646 O GLU A 40 0.321 5.429 -6.678 1.00 0.00 O ATOM 647 CB GLU A 40 2.716 7.162 -8.010 1.00 0.00 C ATOM 648 CG GLU A 40 3.421 8.504 -7.867 1.00 0.00 C ATOM 649 CD GLU A 40 3.686 9.129 -9.208 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.388 8.508 -10.201 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.078 10.271 -9.242 1.00 0.00 O ATOM 0 H GLU A 40 4.573 6.072 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 40 2.089 7.100 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.295 6.531 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.745 7.324 -8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.809 9.176 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.362 8.367 -7.335 1.00 0.00 H new ATOM 658 N GLY A 41 2.038 4.115 -7.299 1.00 0.00 N ATOM 659 CA GLY A 41 1.216 2.920 -7.452 1.00 0.00 C ATOM 660 C GLY A 41 0.594 2.506 -6.126 1.00 0.00 C ATOM 661 O GLY A 41 -0.611 2.267 -6.041 1.00 0.00 O ATOM 0 H GLY A 41 3.023 3.982 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.429 3.108 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.825 2.104 -7.842 1.00 0.00 H new ATOM 665 N VAL A 42 1.423 2.422 -5.090 1.00 0.00 N ATOM 666 CA VAL A 42 0.971 1.958 -3.783 1.00 0.00 C ATOM 667 C VAL A 42 -0.155 2.832 -3.247 1.00 0.00 C ATOM 668 O VAL A 42 -1.122 2.333 -2.675 1.00 0.00 O ATOM 669 CB VAL A 42 2.124 1.938 -2.762 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.596 1.632 -1.369 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.177 0.919 -3.167 1.00 0.00 C ATOM 0 H VAL A 42 2.412 2.669 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 42 0.602 0.942 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 42 2.587 2.925 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.424 1.622 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.877 2.397 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.108 0.657 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.984 0.919 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.726 -0.072 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.577 1.179 -4.147 1.00 0.00 H new ATOM 681 N ASN A 43 -0.022 4.141 -3.435 1.00 0.00 N ATOM 682 CA ASN A 43 -1.050 5.085 -3.014 1.00 0.00 C ATOM 683 C ASN A 43 -2.276 5.001 -3.913 1.00 0.00 C ATOM 684 O ASN A 43 -3.410 5.007 -3.435 1.00 0.00 O ATOM 685 CB ASN A 43 -0.520 6.506 -2.981 1.00 0.00 C ATOM 686 CG ASN A 43 -1.494 7.503 -2.419 1.00 0.00 C ATOM 687 OD1 ASN A 43 -1.889 7.424 -1.250 1.00 0.00 O ATOM 688 ND2 ASN A 43 -1.946 8.391 -3.266 1.00 0.00 N ATOM 0 H ASN A 43 0.790 4.572 -3.877 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.344 4.809 -2.002 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.393 6.530 -2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.250 6.807 -3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.658 9.060 -2.972 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.587 8.414 -4.220 1.00 0.00 H new ATOM 695 N ALA A 44 -2.042 4.920 -5.219 1.00 0.00 N ATOM 696 CA ALA A 44 -3.127 4.914 -6.192 1.00 0.00 C ATOM 697 C ALA A 44 -3.996 3.672 -6.041 1.00 0.00 C ATOM 698 O ALA A 44 -5.225 3.758 -6.052 1.00 0.00 O ATOM 699 CB ALA A 44 -2.571 5.007 -7.606 1.00 0.00 C ATOM 0 H ALA A 44 -1.109 4.858 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.754 5.786 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.393 5.001 -8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.003 5.931 -7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.918 4.155 -7.797 1.00 0.00 H new ATOM 705 N LEU A 45 -3.353 2.519 -5.899 1.00 0.00 N ATOM 706 CA LEU A 45 -4.066 1.259 -5.727 1.00 0.00 C ATOM 707 C LEU A 45 -4.940 1.288 -4.480 1.00 0.00 C ATOM 708 O LEU A 45 -6.142 1.030 -4.547 1.00 0.00 O ATOM 709 CB LEU A 45 -3.071 0.093 -5.654 1.00 0.00 C ATOM 710 CG LEU A 45 -2.185 -0.087 -6.894 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.834 -0.660 -6.491 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.884 -1.001 -7.889 1.00 0.00 C ATOM 0 H LEU A 45 -2.337 2.431 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.716 1.117 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.428 0.238 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.628 -0.829 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.017 0.881 -7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.212 -0.784 -7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.343 0.021 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.978 -1.628 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.255 -1.129 -8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.064 -1.972 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.835 -0.558 -8.184 1.00 0.00 H new ATOM 724 N LYS A 46 -4.331 1.602 -3.342 1.00 0.00 N ATOM 725 CA LYS A 46 -5.041 1.613 -2.070 1.00 0.00 C ATOM 726 C LYS A 46 -6.164 2.642 -2.073 1.00 0.00 C ATOM 727 O LYS A 46 -7.216 2.429 -1.473 1.00 0.00 O ATOM 728 CB LYS A 46 -4.074 1.895 -0.918 1.00 0.00 C ATOM 729 CG LYS A 46 -4.592 1.482 0.454 1.00 0.00 C ATOM 730 CD LYS A 46 -3.872 2.230 1.566 1.00 0.00 C ATOM 731 CE LYS A 46 -4.285 3.693 1.608 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.571 4.442 2.676 1.00 0.00 N ATOM 0 H LYS A 46 -3.345 1.853 -3.275 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.483 0.627 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.136 1.374 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.848 2.961 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.662 1.678 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.457 0.409 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.093 1.760 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.795 2.159 1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.081 4.155 0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.360 3.762 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.248 5.039 3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.129 3.770 3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.837 5.041 2.248 1.00 0.00 H new ATOM 746 N ASP A 47 -5.932 3.760 -2.754 1.00 0.00 N ATOM 747 CA ASP A 47 -6.810 4.919 -2.646 1.00 0.00 C ATOM 748 C ASP A 47 -8.265 4.531 -2.878 1.00 0.00 C ATOM 749 O ASP A 47 -9.173 5.083 -2.257 1.00 0.00 O ATOM 750 CB ASP A 47 -6.391 6.004 -3.639 1.00 0.00 C ATOM 751 CG ASP A 47 -6.929 7.393 -3.319 1.00 0.00 C ATOM 752 OD1 ASP A 47 -6.602 7.909 -2.277 1.00 0.00 O ATOM 753 OD2 ASP A 47 -7.529 7.988 -4.181 1.00 0.00 O ATOM 0 H ASP A 47 -5.142 3.887 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.719 5.312 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.302 6.048 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.729 5.718 -4.635 1.00 0.00 H new ATOM 758 N GLU A 48 -8.481 3.577 -3.778 1.00 0.00 N ATOM 759 CA GLU A 48 -9.828 3.125 -4.107 1.00 0.00 C ATOM 760 C GLU A 48 -10.527 2.541 -2.886 1.00 0.00 C ATOM 761 O GLU A 48 -11.700 2.822 -2.637 1.00 0.00 O ATOM 762 CB GLU A 48 -9.785 2.090 -5.233 1.00 0.00 C ATOM 763 CG GLU A 48 -9.399 2.656 -6.593 1.00 0.00 C ATOM 764 CD GLU A 48 -9.257 1.565 -7.618 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.383 0.419 -7.260 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.135 1.880 -8.779 1.00 0.00 O ATOM 0 H GLU A 48 -7.740 3.102 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.397 3.991 -4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.075 1.308 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.764 1.618 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.155 3.369 -6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.460 3.203 -6.508 1.00 0.00 H new ATOM 773 N ILE A 49 -9.800 1.728 -2.127 1.00 0.00 N ATOM 774 CA ILE A 49 -10.343 1.118 -0.920 1.00 0.00 C ATOM 775 C ILE A 49 -10.393 2.118 0.229 1.00 0.00 C ATOM 776 O ILE A 49 -11.332 2.117 1.024 1.00 0.00 O ATOM 777 CB ILE A 49 -9.518 -0.107 -0.486 1.00 0.00 C ATOM 778 CG1 ILE A 49 -9.638 -1.226 -1.524 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.970 -0.596 0.881 1.00 0.00 C ATOM 780 CD1 ILE A 49 -8.701 -2.388 -1.281 1.00 0.00 C ATOM 0 H ILE A 49 -8.832 1.476 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 49 -11.356 0.795 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.471 0.188 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -10.664 -1.594 -1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.441 -0.813 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.376 -1.462 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.836 0.199 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.023 -0.876 0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.845 -3.140 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.670 -2.035 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.912 -2.828 -0.306 1.00 0.00 H new ATOM 792 N LEU A 50 -9.377 2.969 0.309 1.00 0.00 N ATOM 793 CA LEU A 50 -9.312 3.988 1.351 1.00 0.00 C ATOM 794 C LEU A 50 -10.503 4.935 1.269 1.00 0.00 C ATOM 795 O LEU A 50 -11.014 5.393 2.290 1.00 0.00 O ATOM 796 CB LEU A 50 -7.998 4.773 1.243 1.00 0.00 C ATOM 797 CG LEU A 50 -7.789 5.846 2.319 1.00 0.00 C ATOM 798 CD1 LEU A 50 -7.625 5.192 3.684 1.00 0.00 C ATOM 799 CD2 LEU A 50 -6.567 6.683 1.972 1.00 0.00 C ATOM 0 H LEU A 50 -8.586 2.974 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.347 3.487 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.168 4.069 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.958 5.250 0.264 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.662 6.498 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.477 5.962 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.520 4.617 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.760 4.528 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.419 7.445 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.688 6.041 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.718 7.164 1.005 1.00 0.00 H new ATOM 811 N LYS A 51 -10.940 5.224 0.048 1.00 0.00 N ATOM 812 CA LYS A 51 -12.068 6.122 -0.169 1.00 0.00 C ATOM 813 C LYS A 51 -13.343 5.344 -0.464 1.00 0.00 C ATOM 814 O LYS A 51 -14.305 5.892 -1.002 1.00 0.00 O ATOM 815 CB LYS A 51 -11.766 7.092 -1.314 1.00 0.00 C ATOM 816 CG LYS A 51 -10.665 8.099 -1.011 1.00 0.00 C ATOM 817 CD LYS A 51 -10.308 8.915 -2.246 1.00 0.00 C ATOM 818 CE LYS A 51 -9.216 9.930 -1.941 1.00 0.00 C ATOM 819 NZ LYS A 51 -8.648 10.525 -3.183 1.00 0.00 N ATOM 0 H LYS A 51 -10.530 4.849 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.222 6.692 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.483 6.517 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.678 7.634 -1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.989 8.766 -0.212 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.780 7.576 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.976 8.248 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.195 9.431 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.622 10.722 -1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.421 9.448 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.956 11.259 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.178 9.783 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.413 10.949 -3.746 1.00 0.00 H new ATOM 833 N ALA A 52 -13.345 4.064 -0.107 1.00 0.00 N ATOM 834 CA ALA A 52 -14.505 3.209 -0.328 1.00 0.00 C ATOM 835 C ALA A 52 -15.631 3.545 0.641 1.00 0.00 C ATOM 836 O ALA A 52 -16.345 4.486 0.427 1.00 0.00 O ATOM 837 CB ALA A 52 -14.114 1.743 -0.204 1.00 0.00 C ATOM 838 OXT ALA A 52 -15.804 2.870 1.617 1.00 0.00 O ATOM 0 H ALA A 52 -12.555 3.596 0.337 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.869 3.390 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.991 1.117 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.352 1.506 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.719 1.555 0.795 1.00 0.00 H new TER 844 ALA A 52